| 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 | 62.3 | Low | 113 Ų | 113 | 77 Ų | 77 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | 0 | 130.4 | 0 | -73.8 | 169.9 | 86.2 | 0 | 0 | 106.3 | F3 C78 L256 | M1-F3 HydrophobicContact CB-CD2 4.04Å; M1-F3 HydrophobicContact CB-CE2 3.69Å; M1-F3 HydrophobicContact CE-CE1 4.07Å; M1-F3 HydrophobicContact CE-CE2 3.78Å; M1-F3 HydrophobicContact CE-CZ 3.34Å; M1-F3 HydrophobicContact CG-CE2 4.42Å; M1-F3 HydrophobicContact SD-CE2 3.94Å; M1-F3 HydrophobicContact SD-CZ 4.01Å; M1-C78 PolarHBondContact O-SG 3.39Å; M1-L256 HydrophobicContact CE-CD1 3.95Å; M1-L256 HydrophobicContact CE-CD2 3.41Å; M1-L256 VanDerWaalsContact CE-CD2 3.41Å; M1-L256 HydrophobicContact CE-CG 4.32Å; M1-L256 HydrophobicContact CG-CD2 4.39Å; M1-L256 HydrophobicContact SD-CD2 3.4Å; M1-L256 WeakPolarHBondContact SD-CD2 3.22Å | |||
| 2 | V | 32.3 | Very low | 65.3 | Low | 140 Ų | 140 | 70.6 Ų | 70.6 | 85% | 0.848 | 36% | 0.36 | S | S | * | . | trans | -103.1 | 105.3 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 3 | F | 42.3 | Very low | 67.8 | Low | 39 Ų | 39 | 65.2 Ų | 65.2 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | trans | -82 | 109.3 | 167.9 | -67.7 | -97.1 | 0 | 0 | 0 | 105.5 | M1 K5 T6 C78 L80 H243 | M1-F3 HydrophobicContact CB-CD2 4.04Å; M1-F3 HydrophobicContact CB-CE2 3.69Å; M1-F3 HydrophobicContact CE-CE1 4.07Å; M1-F3 HydrophobicContact CE-CE2 3.78Å; M1-F3 HydrophobicContact CE-CZ 3.34Å; M1-F3 HydrophobicContact CG-CE2 4.42Å; M1-F3 HydrophobicContact SD-CE2 3.94Å; M1-F3 HydrophobicContact SD-CZ 4.01Å; F3-K5 PolarHBondContact O-N 3.12Å; F3-T6 HydrophobicContact CB-CG2 3.85Å; F3-C78 HydrophobicContact CD2-CB 3.19Å; F3-C78 WeakPolarHBondContact CD2-SG 3.47Å; F3-C78 HydrophobicContact CE2-CB 3.27Å; F3-C78 WeakPolarHBondContact CE2-SG 3.3Å; F3-C78 HydrophobicContact CG-CB 4.27Å; F3-C78 HydrophobicContact CZ-CB 4.41Å; F3-L80 HydrophobicContact CB-CD2 4.47Å; F3-L80 HydrophobicContact CD1-CD2 3.81Å; F3-L80 HydrophobicContact CE1-CD2 4.14Å; F3-L80 HydrophobicContact CG-CD2 4.11Å; F3-H243 AromaticContact CD1-CE1 3.49Å; F3-H243 VanDerWaalsContact CD1-CE1 3.49Å; F3-H243 WeakPolarHBondContact CD1-CE1 3.4Å; F3-H243 AromaticContact CD1-ND1 3.72Å; F3-H243 AromaticContact CD1-NE2 3.68Å; F3-H243 AromaticContact CE1-CE1 3.98Å; F3-H243 AromaticContact CE1-ND1 3.78Å | ||
| 4 | E | 40.5 | Very low | 69.9 | Low | 167 Ų | 167 | 60.5 Ų | 60.5 | 78% | 0.78 | 31% | 0.308 | S | S | * | . | trans | -57.8 | 121.9 | 175.8 | -77.4 | 174.8 | 151.4 | 0 | 0 | 109.3 | T6 | E4-T6 VanDerWaalsContact C-N 3.28Å; E4-T6 WeakPolarHBondContact O-CA 3.44Å; E4-T6 WeakPolarHBondContact O-CG2 3.4Å; E4-T6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 40 | Very low | 71.6 | Confident | 219 Ų | 219 | 56.5 Ų | 56.5 | 95% | 0.952 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -9.7 | 80.6 | 178.5 | -78.3 | -176.9 | 175.4 | 179.1 | 0 | 113.2 | F3 | F3-K5 PolarHBondContact O-N 3.12Š|
| 6 | T | 52.7 | Low | 73 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 133.3 | -163.1 | 58.2 | 0 | 0 | 0 | 0 | 108.8 | F3 E4 H243 | F3-T6 HydrophobicContact CB-CG2 3.85Å; E4-T6 VanDerWaalsContact C-N 3.28Å; E4-T6 WeakPolarHBondContact O-CA 3.44Å; E4-T6 WeakPolarHBondContact O-CG2 3.4Å; E4-T6 PolarHBondContact O-N 3.18Å; T6-H243 WeakPolarHBondContact CG2-CD2 3.49Å; T6-H243 WeakPolarHBondContact CG2-NE2 3.18Å |
| 7 | G | 69.5 | Low | 73.7 | Confident | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 152.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V9 | G7-V9 PolarHBondContact O-N 3.48Š|
| 8 | K | 87.2 | Confident | 74 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -56 | 129 | 178.4 | -62.9 | 178.6 | -178.7 | 176.1 | 0 | 109.9 | D70 H81 R246 | K8-D70 WeakPolarHBondContact CD-OD2 3.31Å; K8-D70 WeakPolarHBondContact CE-OD2 3.35Å; K8-D70 IonicContact NZ-OD2 2.7Å; K8-D70 PolarHBondContact NZ-OD2 3.01Å; K8-H81 HydrophobicContact CG-CB 4.14Å; K8-R246 PolarHBondContact O-NH1 2.88Å |
| 9 | V | 92.9 | Very high | 73.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.6 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | G7 I11 H81 V82 R83 D148 V149 H243 | G7-V9 PolarHBondContact O-N 3.48Å; V9-I11 HydrophobicContact CG1-CG1 4.42Å; V9-H81 PolarHBondContact N-O 3.25Å; V9-V82 HydrophobicContact CB-CG1 4.46Å; V9-V82 CarbonylContact O-C 3.52Å; V9-V82 VanDerWaalsContact O-CA 3.29Å; V9-V82 WeakPolarHBondContact O-CA 3.36Å; V9-R83 PolarHBondContact O-N 3.45Å; V9-D148 WeakPolarHBondContact CA-OD2 3.2Å; V9-D148 HydrophobicContact CG1-CB 3.89Å; V9-V149 HydrophobicContact CG1-CG1 4.3Å; V9-H243 HydrophobicContact CG2-CB 4.18Å |
| 10 | T | 95.8 | Very high | 72.6 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.9 | 178.6 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | R83 Y146 D148 V149 | T10-R83 HydrophobicContact CG2-CG 4.38Å; T10-Y146 VanDerWaalsContact CB-O 3.26Å; T10-Y146 WeakPolarHBondContact CB-O 3.21Å; T10-Y146 PolarHBondContact OG1-O 3.03Å; T10-D148 PolarHBondContact N-OD2 2.89Å; T10-D148 PolarHBondContact O-N 3.46Å; T10-V149 PolarHBondContact O-N 3.26Å |
| 11 | I | 98 | Very high | 71.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.1 | 179.3 | -55.4 | 175.7 | 0 | 0 | 0 | 108.1 | V9 V13 V82 R83 I85 V149 V151 F235 A238 | V9-I11 HydrophobicContact CG1-CG1 4.42Å; I11-V13 HydrophobicContact CG2-CG2 4.34Å; I11-V82 HydrophobicContact CD1-CB 3.87Å; I11-V82 HydrophobicContact CD1-CG1 3.85Å; I11-R83 PolarHBondContact N-O 3.35Å; I11-I85 WeakPolarHBondContact O-CG1 3.39Å; I11-I85 PolarHBondContact O-N 3.11Å; I11-V149 WeakPolarHBondContact CA-O 3.39Å; I11-V149 HydrophobicContact CB-CG1 4.22Å; I11-V149 HydrophobicContact CG1-CG1 3.7Å; I11-V149 HydrophobicContact CG2-CG1 4.28Å; I11-V151 HydrophobicContact CG2-CB 4.44Å; I11-V151 HydrophobicContact CG2-CG2 3.61Å; I11-F235 HydrophobicContact CD1-CD1 3.92Å; I11-A238 HydrophobicContact CD1-CB 3.76Å; I11-A238 HydrophobicContact CG1-CB 4.22Å; I11-A238 HydrophobicContact CG2-CB 4.29Å |
| 12 | S | 98.2 | Very high | 72.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.1 | 170.9 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | Q87 V149 F150 V151 | S12-Q87 WeakPolarHBondContact OG-CG 3.33Å; S12-V149 PolarHBondContact N-O 3.35Å; S12-F150 CarbonylContact O-C 3.53Å; S12-F150 VanDerWaalsContact O-CA 3.31Å; S12-F150 WeakPolarHBondContact O-CA 3.47Å; S12-V151 PolarHBondContact O-N 3.12Å |
| 13 | V | 98.6 | Very high | 73.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | I11 K29 I33 V84 I85 Q87 V151 V153 F235 | I11-V13 HydrophobicContact CG2-CG2 4.34Å; V13-K29 HydrophobicContact CG1-CB 4.29Å; V13-K29 HydrophobicContact CG1-CG 4.45Å; V13-I33 HydrophobicContact CB-CD1 3.73Å; V13-I33 HydrophobicContact CB-CG1 4.24Å; V13-I33 HydrophobicContact CG1-CD1 4.01Å; V13-I33 HydrophobicContact CG1-CG1 4.26Å; V13-I33 HydrophobicContact CG2-CD1 3.71Å; V13-I33 HydrophobicContact CG2-CG1 3.81Å; V13-V84 HydrophobicContact CG2-CG1 4Å; V13-I85 PolarHBondContact N-O 3.27Å; V13-Q87 PolarHBondContact O-N 3.31Å; V13-V151 WeakPolarHBondContact CA-O 3.14Å; V13-V151 HydrophobicContact CG1-CB 4.41Å; V13-V151 HydrophobicContact CG1-CG1 4.36Å; V13-V151 HydrophobicContact CG2-CB 4.2Å; V13-V153 HydrophobicContact CG1-CG2 3.85Å; V13-F235 HydrophobicContact CG2-CE1 4.38Å |
| 14 | V | 97.5 | Very high | 74 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 164.9 | -178.1 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | Q87 C109 L110 F150 V151 C152 V153 V173 | V14-Q87 HydrophobicContact CG1-CB 4Å; V14-Q87 HydrophobicContact CG1-CG 3.84Å; V14-C109 HydrophobicContact CG1-CB 4.12Å; V14-C109 VanDerWaalsContact CG1-O 3.28Å; V14-C109 WeakPolarHBondContact CG1-O 3.24Å; V14-L110 HydrophobicContact CG1-CD2 4.42Å; V14-L110 HydrophobicContact CG2-CD2 4.41Å; V14-F150 HydrophobicContact CG1-CD1 4.09Å; V14-F150 HydrophobicContact CG1-CE1 4.44Å; V14-V151 PolarHBondContact N-O 3.44Å; V14-C152 HydrophobicContact CG2-CB 4.16Å; V14-C152 CarbonylContact O-C 3.48Å; V14-C152 WeakPolarHBondContact O-CA 3.26Å; V14-V153 PolarHBondContact O-N 2.91Å; V14-V173 HydrophobicContact CG2-CG1 4.48Å |
| 15 | G | 95.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 165.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y105 | G15-Y105 PolarHBondContact N-OH 3.21Å; G15-Y105 VanDerWaalsContact O-CE1 3.26Å; G15-Y105 WeakPolarHBondContact O-CE1 3.35Å; G15-Y105 PolarHBondContact O-OH 3.23Å |
| 16 | Y | 93.7 | Very high | 77.4 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | trans | -53.7 | 128.3 | -178.9 | 172.1 | -117.1 | 0 | 0 | 0 | 110.6 | G18 S19 V27 L158 Q165 Q166 F169 | Y16-G18 VanDerWaalsContact C-N 3.32Å; Y16-G18 VanDerWaalsContact CE1-CA 3.47Å; Y16-S19 PolarHBondContact OH-N 3.13Å; Y16-S19 VanDerWaalsContact OH-N 3.12Å; Y16-V27 HydrophobicContact CD1-CG1 4.28Å; Y16-L158 HydrophobicContact CD1-CD1 4.03Å; Y16-L158 HydrophobicContact CE1-CD1 4.22Å; Y16-Q165 HydrophobicContact CE2-CB 3.76Å; Y16-Q165 WeakPolarHBondContact OH-CB 3.45Å; Y16-Q165 PolarHBondContact OH-OE1 2.95Å; Y16-Q166 HydrophobicContact CD1-CB 3.89Å; Y16-Q166 HydrophobicContact CD2-CB 4.27Å; Y16-Q166 HydrophobicContact CE1-CB 4.37Å; Y16-Q166 HydrophobicContact CG-CB 3.82Å; Y16-Q166 HydrophobicContact CG-CG 4.28Å; Y16-F169 HydrophobicContact CD2-CB 4.09Å; Y16-F169 HydrophobicContact CD2-CG 4.41Å | ||
| 17 | P | 84.5 | Confident | 79.2 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | trans | -79.3 | -12.3 | -175.8 | 31 | -36 | 0 | 0 | 0 | 113.9 | Y105 | P17-Y105 HydrophobicContact CB-CD1 3.84Å; P17-Y105 HydrophobicContact CB-CE1 4.21Å; P17-Y105 HydrophobicContact CB-CG 4.07Å; P17-Y105 HydrophobicContact CG-CD1 3.67Å; P17-Y105 HydrophobicContact CG-CE1 4.24Å; P17-Y105 HydrophobicContact CG-CG 4.2Å | ||
| 18 | G | 79.8 | Confident | 80.2 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | trans | 94 | 159.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y16 | Y16-G18 VanDerWaalsContact C-N 3.32Å; Y16-G18 VanDerWaalsContact CE1-CA 3.47Å | ||
| 19 | S | 64.4 | Low | 80.5 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | trans | -82.6 | 135.7 | 168.6 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | Y16 T21 | Y16-S19 PolarHBondContact OH-N 3.13Å; Y16-S19 VanDerWaalsContact OH-N 3.12Å; S19-T21 PolarHBondContact O-N 3.36Å; S19-T21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | G | 55.3 | Low | 80.6 | Confident | 85 Ų | 85 | 37 Ų | 37 | 88% | 0.876 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 21 | T | 49.6 | Very low | 80.4 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 70% | 0.699 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.5 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | S19 | S19-T21 PolarHBondContact O-N 3.36Å; S19-T21 VanDerWaalsContact O-N 3.09Å |
| 22 | D | 48.8 | Very low | 80.3 | Confident | 98 Ų | 98 | 37.2 Ų | 37.2 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -155.8 | 176.9 | -176.6 | -82.6 | -54.6 | 0 | 0 | 0 | 110.8 | R24 | D22-R24 PolarHBondContact O-N 3.13Å; D22-R24 VanDerWaalsContact O-N 3.1Å |
| 23 | V | 52.1 | Low | 80.2 | Confident | 90 Ų | 90 | 37.2 Ų | 37.2 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -31.5 | 114.5 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | Q25 T773 | V23-Q25 WeakPolarHBondContact O-CG 3.41Å; V23-Q25 PolarHBondContact O-N 3.48Å; V23-T773 WeakPolarHBondContact CG2-OG1 3.38Å |
| 24 | R | 60.5 | Low | 80 | Confident | 76 Ų | 76 | 37.6 Ų | 37.6 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | trans | -54.2 | 112.9 | -178.6 | -76.7 | -176.2 | 165.2 | -134.7 | -20.8 | 110.2 | D22 H26 S48 D89 | D22-R24 PolarHBondContact O-N 3.13Å; D22-R24 VanDerWaalsContact O-N 3.1Å; R24-H26 PolarHBondContact O-CD2 3.43Å; R24-H26 PolarHBondContact O-N 3.49Å; R24-S48 WeakPolarHBondContact CD-OG 3.09Å; R24-S48 PolarHBondContact NH1-O 2.95Å; R24-S48 PolarHBondContact NH1-OG 3.4Å; R24-D89 PolarHBondContact NH1-O 2.81Å | ||
| 25 | Q | 68.8 | Low | 79.8 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | trans | -82.4 | 112.2 | -179.6 | -69.1 | -176.6 | -2.1 | 0 | 0 | 110.7 | V23 L158 S162 | V23-Q25 WeakPolarHBondContact O-CG 3.41Å; V23-Q25 PolarHBondContact O-N 3.48Å; Q25-L158 HydrophobicContact CB-CD2 4.44Å; Q25-L158 VanDerWaalsContact OE1-CD2 3.28Å; Q25-S162 VanDerWaalsContact CD-OG 3.26Å; Q25-S162 PolarHBondContact NE2-OG 3.3Å; Q25-S162 PolarHBondContact OE1-OG 3.02Å | ||
| 26 | H | 81.9 | Confident | 79.8 | Confident | 100 Ų | 100 | 40 Ų | 40 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | trans | -89.3 | 112.9 | 178.1 | -60.3 | -71.1 | 0 | 0 | 0 | 111.1 | R24 G28 K190 | R24-H26 PolarHBondContact O-CD2 3.43Å; R24-H26 PolarHBondContact O-N 3.49Å; H26-G28 PolarHBondContact O-N 3.41Å; H26-G28 VanDerWaalsContact O-N 3.12Å; H26-K190 VanDerWaalsContact O-CE 3.22Å; H26-K190 WeakPolarHBondContact O-CE 3.27Å; H26-K190 PolarHBondContact O-NZ 3.46Å | ||
| 27 | V | 90.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -69.9 | -4.2 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | Y16 K29 V153 D155 S189 | Y16-V27 HydrophobicContact CD1-CG1 4.28Å; V27-K29 HydrophobicContact CG2-CD 4.41Å; V27-K29 HydrophobicContact CG2-CG 3.66Å; V27-V153 HydrophobicContact CB-CG1 4.26Å; V27-V153 HydrophobicContact CG2-CB 4.05Å; V27-V153 HydrophobicContact CG2-CG1 3.97Å; V27-V153 VanDerWaalsContact O-CG1 3.31Å; V27-V153 WeakPolarHBondContact O-CG1 3.48Å; V27-D155 HydrophobicContact CB-CB 3.85Å; V27-D155 HydrophobicContact CG1-CB 3.79Å; V27-S189 PolarHBondContact O-OG 2.82Å | ||
| 28 | G | 90.6 | Very high | 80.1 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 89.1 | 26.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | H26 L32 | H26-G28 PolarHBondContact O-N 3.41Å; H26-G28 VanDerWaalsContact O-N 3.12Å; G28-L32 VanDerWaalsContact O-CB 3.29Å; G28-L32 WeakPolarHBondContact O-CB 3.39Å; G28-L32 PolarHBondContact O-N 3.43Å |
| 29 | K | 94.2 | Very high | 80.3 | Confident | 24 Ų | 24 | 43 Ų | 43 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -58.3 | 175.5 | -61.5 | -171.9 | -56.8 | -73.7 | 0 | 112.3 | V13 V27 C31 L32 I33 E86 Q87 V153 | V13-K29 HydrophobicContact CG1-CB 4.29Å; V13-K29 HydrophobicContact CG1-CG 4.45Å; V27-K29 HydrophobicContact CG2-CD 4.41Å; V27-K29 HydrophobicContact CG2-CG 3.66Å; K29-C31 VanDerWaalsContact C-N 3.34Å; K29-C31 PolarHBondContact O-N 3.33Å; K29-L32 WeakPolarHBondContact O-CB 3.17Å; K29-L32 PolarHBondContact O-N 3.44Å; K29-L32 VanDerWaalsContact O-N 3.13Å; K29-I33 WeakPolarHBondContact O-CG1 3.21Å; K29-I33 PolarHBondContact O-N 3.1Å; K29-E86 HydrophobicContact CB-CG 4.41Å; K29-E86 WeakPolarHBondContact CB-OE1 3.43Å; K29-E86 WeakPolarHBondContact CE-OE1 3.46Å; K29-Q87 WeakPolarHBondContact CE-O 3.46Å; K29-V153 HydrophobicContact CG-CB 4.11Å; K29-V153 HydrophobicContact CG-CG2 4.02Å |
| 30 | S | 93.8 | Very high | 81 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | -177.5 | -41.3 | 0 | 0 | 0 | 0 | 111.2 | L32 I33 N34 H46 E86 | S30-L32 PolarHBondContact O-N 3.41Å; S30-I33 PolarHBondContact O-N 3.01Å; S30-N34 VanDerWaalsContact O-CB 3.24Å; S30-N34 WeakPolarHBondContact O-CB 3.27Å; S30-N34 PolarHBondContact O-N 2.98Å; S30-H46 WeakPolarHBondContact CB-CD2 3.49Å; S30-H46 VanDerWaalsContact CB-CG 3.42Å; S30-E86 PolarHBondContact N-OE1 3.08Å; S30-E86 PolarHBondContact OG-OE1 3.43Å; S30-E86 PolarHBondContact OG-OE2 3.05Å |
| 31 | C | 92.8 | Very high | 82.1 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 174 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | K29 I33 R35 | K29-C31 VanDerWaalsContact C-N 3.34Å; K29-C31 PolarHBondContact O-N 3.33Å; C31-I33 VanDerWaalsContact C-N 3.33Å; C31-I33 PolarHBondContact O-N 3.12Å; C31-R35 WeakPolarHBondContact O-CB 3.26Å; C31-R35 PolarHBondContact O-N 2.93Å |
| 32 | L | 95.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.6 | -178.9 | 68 | 0 | 0 | 0 | 111.8 | G28 K29 S30 F36 V151 V153 A187 S225 V231 F235 | G28-L32 VanDerWaalsContact O-CB 3.29Å; G28-L32 WeakPolarHBondContact O-CB 3.39Å; G28-L32 PolarHBondContact O-N 3.43Å; K29-L32 WeakPolarHBondContact O-CB 3.17Å; K29-L32 PolarHBondContact O-N 3.44Å; K29-L32 VanDerWaalsContact O-N 3.13Å; S30-L32 PolarHBondContact O-N 3.41Å; L32-F36 PolarHBondContact O-N 2.75Å; L32-V151 HydrophobicContact CD2-CG1 4.29Å; L32-V153 HydrophobicContact CD2-CG2 3.68Å; L32-A187 HydrophobicContact CD2-CB 3.85Å; L32-S225 WeakPolarHBondContact CA-OG 3.4Å; L32-S225 WeakPolarHBondContact CB-OG 3.23Å; L32-S225 WeakPolarHBondContact CD1-OG 3.41Å; L32-V231 HydrophobicContact CD1-CB 4.3Å; L32-V231 HydrophobicContact CD1-CG1 4Å; L32-V231 HydrophobicContact CD1-CG2 3.96Å; L32-V231 WeakPolarHBondContact O-CG1 3.43Å; L32-F235 HydrophobicContact CG-CE2 4.12Å; L32-F235 HydrophobicContact CG-CZ 4.42Å |
| 33 | I | 96.5 | Very high | 85 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -48.1 | -179.3 | -59.8 | 164.5 | 0 | 0 | 0 | 110.9 | V13 K29 S30 C31 R35 F36 M37 W68 V84 E86 F235 | V13-I33 HydrophobicContact CB-CD1 3.73Å; V13-I33 HydrophobicContact CB-CG1 4.24Å; V13-I33 HydrophobicContact CG1-CD1 4.01Å; V13-I33 HydrophobicContact CG1-CG1 4.26Å; V13-I33 HydrophobicContact CG2-CD1 3.71Å; V13-I33 HydrophobicContact CG2-CG1 3.81Å; K29-I33 WeakPolarHBondContact O-CG1 3.21Å; K29-I33 PolarHBondContact O-N 3.1Å; S30-I33 PolarHBondContact O-N 3.01Å; C31-I33 VanDerWaalsContact C-N 3.33Å; C31-I33 PolarHBondContact O-N 3.12Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.49Å; I33-F36 CarbonylContact O-C 3.41Å; I33-F36 WeakPolarHBondContact O-CA 3.08Å; I33-F36 WeakPolarHBondContact O-CB 3.48Å; I33-F36 PolarHBondContact O-N 3.2Å; I33-M37 HydrophobicContact CG2-CG 4.02Å; I33-M37 WeakPolarHBondContact O-CG 3.32Å; I33-M37 PolarHBondContact O-N 3.08Å; I33-W68 HydrophobicContact CB-CD2 4.1Å; I33-W68 HydrophobicContact CB-CE3 4.49Å; I33-W68 HydrophobicContact CB-CG 4.37Å; I33-W68 HydrophobicContact CB-CZ2 4.39Å; I33-W68 HydrophobicContact CD1-CG 4.47Å; I33-W68 HydrophobicContact CG2-CB 3.66Å; I33-W68 HydrophobicContact CG2-CD2 3.38Å; I33-W68 HydrophobicContact CG2-CE3 3.81Å; I33-W68 HydrophobicContact CG2-CG 3.35Å; I33-V84 HydrophobicContact CD1-CG1 4.27Å; I33-V84 HydrophobicContact CG1-CG1 4.13Å; I33-V84 HydrophobicContact CG2-CB 4.41Å; I33-V84 HydrophobicContact CG2-CG1 3.65Å; I33-E86 HydrophobicContact CD1-CB 3.62Å; I33-E86 HydrophobicContact CD1-CG 3.83Å; I33-F235 HydrophobicContact CG1-CZ 4.17Å |
| 34 | N | 94.4 | Very high | 86 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 179.1 | -164.1 | -14.1 | 0 | 0 | 0 | 110.3 | S30 F36 M37 A38 F42 N43 H46 W68 | S30-N34 VanDerWaalsContact O-CB 3.24Å; S30-N34 WeakPolarHBondContact O-CB 3.27Å; S30-N34 PolarHBondContact O-N 2.98Å; N34-F36 PolarHBondContact O-N 3.38Å; N34-M37 PolarHBondContact O-N 3.14Å; N34-M37 VanDerWaalsContact O-N 3.14Å; N34-A38 CarbonylContact O-C 3.53Å; N34-A38 WeakPolarHBondContact O-CA 3.36Å; N34-A38 PolarHBondContact O-N 3.32Å; N34-F42 HydrophobicContact CB-CB 4.48Å; N34-N43 PolarHBondContact ND2-N 3.21Å; N34-H46 PolarHBondContact ND2-CE1 3.39Å; N34-H46 VanDerWaalsContact ND2-CE1 3.28Å; N34-H46 PolarHBondContact ND2-NE2 3.31Å; N34-H46 VanDerWaalsContact ND2-NE2 3.14Å; N34-W68 HydrophobicContact CB-CH2 3.82Å; N34-W68 HydrophobicContact CB-CZ3 3.68Å |
| 35 | R | 93.2 | Very high | 86.7 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -29.4 | 175.6 | -171.3 | 66.2 | 106.1 | 179.2 | -1 | 113.3 | C31 I33 P39 F42 S225 L226 N228 V231 | C31-R35 WeakPolarHBondContact O-CB 3.26Å; C31-R35 PolarHBondContact O-N 2.93Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.49Å; R35-P39 PolarHBondContact NH1-O 3.46Å; R35-P39 VanDerWaalsContact O-CA 3.22Å; R35-P39 WeakPolarHBondContact O-CA 3.42Å; R35-F42 VanDerWaalsContact CZ-CD1 3.42Å; R35-F42 VanDerWaalsContact CZ-CZ 3.46Å; R35-S225 WeakPolarHBondContact CG-O 3.14Å; R35-S225 PolarHBondContact NE-O 3.07Å; R35-S225 VanDerWaalsContact NE-O 3.12Å; R35-L226 PolarHBondContact NH2-O 2.96Å; R35-N228 HydrophobicContact CG-CB 3.82Å; R35-N228 WeakPolarHBondContact CG-OD1 3.46Å; R35-V231 HydrophobicContact CB-CG1 4.22Å; R35-V231 HydrophobicContact CG-CB 4.46Å; R35-V231 HydrophobicContact CG-CG1 4.22Å; R35-V231 HydrophobicContact CG-CG2 4.06Å |
| 36 | F | 95.6 | Very high | 87.2 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.2 | -44.1 | 173 | 170.6 | -110.5 | 0 | 0 | 0 | 112.9 | L32 I33 N34 V73 V82 V84 V231 F235 | L32-F36 PolarHBondContact O-N 2.75Å; I33-F36 CarbonylContact O-C 3.41Å; I33-F36 WeakPolarHBondContact O-CA 3.08Å; I33-F36 WeakPolarHBondContact O-CB 3.48Å; I33-F36 PolarHBondContact O-N 3.2Å; N34-F36 PolarHBondContact O-N 3.38Å; F36-V73 HydrophobicContact CE2-CG1 3.6Å; F36-V73 HydrophobicContact CZ-CG1 3.54Å; F36-V82 HydrophobicContact CE1-CG2 3.98Å; F36-V82 HydrophobicContact CZ-CG2 3.9Å; F36-V84 HydrophobicContact CD1-CG2 4.29Å; F36-V84 HydrophobicContact CE1-CG2 4.03Å; F36-V231 HydrophobicContact CB-CG1 3.83Å; F36-F235 HydrophobicContact CB-CD2 3.47Å; F36-F235 VanDerWaalsContact CB-CD2 3.47Å; F36-F235 HydrophobicContact CB-CE2 3.32Å; F36-F235 HydrophobicContact CB-CG 4.27Å; F36-F235 HydrophobicContact CB-CZ 4Å; F36-F235 HydrophobicContact CD1-CB 4.31Å; F36-F235 AromaticContact CD1-CD1 3.78Å; F36-F235 HydrophobicContact CD1-CD1 3.78Å; F36-F235 AromaticContact CD1-CD2 3.79Å; F36-F235 HydrophobicContact CD1-CD2 3.79Å; F36-F235 AromaticContact CD1-CE1 3.99Å; F36-F235 HydrophobicContact CD1-CE1 3.99Å; F36-F235 HydrophobicContact CD1-CE2 4Å; F36-F235 AromaticContact CD1-CG 3.68Å; F36-F235 HydrophobicContact CD1-CG 3.68Å; F36-F235 HydrophobicContact CD1-CZ 4.1Å; F36-F235 HydrophobicContact CD2-CB 3.74Å; F36-F235 AromaticContact CD2-CD2 3.48Å; F36-F235 HydrophobicContact CD2-CD2 3.48Å; F36-F235 VanDerWaalsContact CD2-CD2 3.48Å; F36-F235 HydrophobicContact CD2-CE2 4.25Å; F36-F235 AromaticContact CD2-CG 3.69Å; F36-F235 HydrophobicContact CD2-CG 3.69Å; F36-F235 HydrophobicContact CE1-CB 4.11Å; F36-F235 AromaticContact CE1-CD1 3.92Å; F36-F235 HydrophobicContact CE1-CD1 3.92Å; F36-F235 HydrophobicContact CE1-CD2 4.42Å; F36-F235 HydrophobicContact CE1-CE1 4.48Å; F36-F235 AromaticContact CE1-CG 3.89Å; F36-F235 HydrophobicContact CE1-CG 3.89Å; F36-F235 HydrophobicContact CE2-CB 3.51Å; F36-F235 HydrophobicContact CE2-CD2 4.16Å; F36-F235 AromaticContact CE2-CG 3.9Å; F36-F235 HydrophobicContact CE2-CG 3.9Å; F36-F235 HydrophobicContact CG-CB 4.15Å; F36-F235 HydrophobicContact CG-CD1 4.14Å; F36-F235 AromaticContact CG-CD2 3.26Å; F36-F235 HydrophobicContact CG-CD2 3.26Å; F36-F235 HydrophobicContact CG-CE1 4.4Å; F36-F235 AromaticContact CG-CE2 3.59Å; F36-F235 HydrophobicContact CG-CE2 3.59Å; F36-F235 AromaticContact CG-CG 3.58Å; F36-F235 HydrophobicContact CG-CG 3.58Å; F36-F235 HydrophobicContact CG-CZ 4.16Å; F36-F235 HydrophobicContact CZ-CB 3.71Å; F36-F235 HydrophobicContact CZ-CD1 4.39Å; F36-F235 HydrophobicContact CZ-CG 4Å |
| 37 | M | 93.6 | Very high | 86.9 | Confident | 54 Ų | 54 | 54 Ų | 54 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74 | -40.9 | -177 | -65.1 | -58.6 | -64.8 | 0 | 0 | 112.1 | I33 N34 W68 V84 | I33-M37 HydrophobicContact CG2-CG 4.02Å; I33-M37 WeakPolarHBondContact O-CG 3.32Å; I33-M37 PolarHBondContact O-N 3.08Å; N34-M37 PolarHBondContact O-N 3.14Å; N34-M37 VanDerWaalsContact O-N 3.14Å; M37-W68 WeakPolarHBondContact CE-O 3.37Å; M37-W68 HydrophobicContact CG-CB 4.46Å; M37-V84 HydrophobicContact SD-CG2 4.32Å |
| 38 | A | 89.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 55 Ų | 55 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | trans | -132.2 | 76.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N34 Y40 R41 | N34-A38 CarbonylContact O-C 3.53Å; N34-A38 WeakPolarHBondContact O-CA 3.36Å; N34-A38 PolarHBondContact O-N 3.32Å; A38-Y40 PolarHBondContact O-N 3.05Å; A38-R41 WeakPolarHBondContact CB-O 3.39Å; A38-R41 CarbonylContact O-C 3.47Å; A38-R41 PolarHBondContact O-N 3.28Å | ||
| 39 | P | 83.9 | Confident | 86.2 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.7 | -172.8 | -27.6 | 34.7 | 0 | 0 | 0 | 116.3 | R35 | R35-P39 PolarHBondContact NH1-O 3.46Å; R35-P39 VanDerWaalsContact O-CA 3.22Å; R35-P39 WeakPolarHBondContact O-CA 3.42Å |
| 40 | Y | 80.3 | Confident | 85.9 | Confident | 217 Ų | 217 | 56.6 Ų | 56.6 | 85% | 0.851 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -10.2 | -174.9 | -53.1 | -70.9 | 0 | 0 | 0 | 114.4 | A38 | A38-Y40 PolarHBondContact O-N 3.05Š|
| 41 | R | 77.5 | Confident | 85.7 | Confident | 223 Ų | 223 | 56.2 Ų | 56.2 | 84% | 0.842 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -137.2 | 77.8 | -179.7 | -70 | -173.4 | -176.3 | 140.4 | -1.3 | 108 | A38 | A38-R41 WeakPolarHBondContact CB-O 3.39Å; A38-R41 CarbonylContact O-C 3.47Å; A38-R41 PolarHBondContact O-N 3.28Å |
| 42 | F | 79.8 | Confident | 85.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -117.2 | 149.9 | -176.2 | 79.9 | -61.4 | 0 | 0 | 0 | 108.8 | N34 R35 E44 L226 | N34-F42 HydrophobicContact CB-CB 4.48Å; R35-F42 VanDerWaalsContact CZ-CD1 3.42Å; R35-F42 VanDerWaalsContact CZ-CZ 3.46Å; F42-E44 HydrophobicContact CD2-CG 4.32Å; F42-E44 HydrophobicContact CE2-CG 3.49Å; F42-E44 VanDerWaalsContact CE2-CG 3.49Å; F42-E44 HydrophobicContact CZ-CG 3.93Å; F42-E44 WeakPolarHBondContact CZ-OE1 3.42Å; F42-L226 HydrophobicContact CE2-CD1 4.19Å; F42-L226 HydrophobicContact CZ-CD1 4.18Å | ||
| 43 | N | 79.6 | Confident | 85.2 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | trans | -105.8 | 139.2 | 171.6 | -69.1 | -3.5 | 0 | 0 | 0 | 108.4 | N34 H46 C125 E127 | N34-N43 PolarHBondContact ND2-N 3.21Å; N43-H46 PolarHBondContact O-NE2 3.37Å; N43-H46 VanDerWaalsContact O-NE2 3.08Å; N43-C125 WeakPolarHBondContact ND2-CB 3.39Å; N43-E127 PolarHBondContact ND2-OE2 3.43Å | ||
| 44 | E | 73.4 | Confident | 85 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -82.8 | -40 | 177.3 | -69.7 | 173.7 | -159.3 | 0 | 0 | 110.8 | F42 L226 | F42-E44 HydrophobicContact CD2-CG 4.32Å; F42-E44 HydrophobicContact CE2-CG 3.49Å; F42-E44 VanDerWaalsContact CE2-CG 3.49Å; F42-E44 HydrophobicContact CZ-CG 3.93Å; F42-E44 WeakPolarHBondContact CZ-OE1 3.42Å; E44-L226 HydrophobicContact CG-CD1 3.85Å; E44-L226 WeakPolarHBondContact OE1-CD1 3.21Å |
| 45 | N | 74.3 | Confident | 84.9 | Confident | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 32% | 0.321 | S | S | * | . | trans | -94.4 | 121.3 | -177.2 | -66.3 | -18.2 | 0 | 0 | 0 | 111.1 | ||||
| 46 | H | 79.7 | Confident | 84.8 | Confident | 22 Ų | 22 | 68 Ų | 68 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | trans | -125 | 139.4 | 176.3 | -73.2 | -79.9 | 0 | 0 | 0 | 109.3 | S30 N34 N43 W68 Y123 | S30-H46 WeakPolarHBondContact CB-CD2 3.49Å; S30-H46 VanDerWaalsContact CB-CG 3.42Å; N34-H46 PolarHBondContact ND2-CE1 3.39Å; N34-H46 VanDerWaalsContact ND2-CE1 3.28Å; N34-H46 PolarHBondContact ND2-NE2 3.31Å; N34-H46 VanDerWaalsContact ND2-NE2 3.14Å; N43-H46 PolarHBondContact O-NE2 3.37Å; N43-H46 VanDerWaalsContact O-NE2 3.08Å; H46-W68 AromaticContact CE1-CH2 3.5Å; H46-W68 AromaticContact ND1-CH2 3.99Å; H46-W68 AromaticContact NE2-CH2 3.87Å; H46-Y123 AromaticContact CE1-CE1 3.85Å; H46-Y123 AromaticContact ND1-CE1 3.45Å; H46-Y123 WeakPolarHBondContact ND1-CE1 3.1Å; H46-Y123 AromaticContact ND1-CZ 3.67Å; H46-Y123 PolarHBondContact ND1-OH 3.36Å | ||
| 47 | L | 76.7 | Confident | 84.6 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | trans | -77.2 | 140.4 | -174.8 | -68 | 175.2 | 0 | 0 | 0 | 111.6 | L50 K126 | L47-L50 HydrophobicContact CB-CD2 4.21Å; L47-K126 HydrophobicContact CB-CB 4.36Å; L47-K126 HydrophobicContact CD1-CB 3.66Å; L47-K126 HydrophobicContact CD1-CD 4.16Å; L47-K126 HydrophobicContact CD1-CG 4.44Å; L47-K126 HydrophobicContact CD2-CD 4.13Å; L47-K126 HydrophobicContact CG-CB 3.65Å; L47-K126 HydrophobicContact CG-CD 3.77Å; L47-K126 HydrophobicContact CG-CG 4.32Å | ||
| 48 | S | 78.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 69 Ų | 69 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -119.5 | -7.5 | 167.3 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | R24 F90 V91 | R24-S48 WeakPolarHBondContact CD-OG 3.09Å; R24-S48 PolarHBondContact NH1-O 2.95Å; R24-S48 PolarHBondContact NH1-OG 3.4Å; S48-F90 WeakPolarHBondContact O-CA 3.46Å; S48-V91 PolarHBondContact O-N 3.36Å |
| 49 | I | 86.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.5 | 173.9 | -59.7 | 171.3 | 0 | 0 | 0 | 106 | V91 D93 | I49-V91 CarbonylContact C-O 3.54Å; I49-V91 VanDerWaalsContact CA-O 3.29Å; I49-V91 WeakPolarHBondContact CA-O 3.19Å; I49-V91 HydrophobicContact CG1-CB 4.48Å; I49-V91 HydrophobicContact CG1-CG1 4.45Å; I49-D93 HydrophobicContact CG2-CB 3.72Å |
| 50 | L | 88.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.2 | -171.5 | -64.3 | 179.2 | 0 | 0 | 0 | 110 | L47 D54 I60 F90 V91 D92 D93 L99 L129 | L47-L50 HydrophobicContact CB-CD2 4.21Å; L50-D54 HydrophobicContact CB-CB 4.33Å; L50-D54 HydrophobicContact CD2-CB 4.4Å; L50-I60 HydrophobicContact CD1-CD1 4.03Å; L50-I60 HydrophobicContact CD1-CG1 3.9Å; L50-I60 HydrophobicContact CD1-CG2 4.32Å; L50-F90 HydrophobicContact CD1-CB 4.02Å; L50-F90 HydrophobicContact CD1-CD1 3.41Å; L50-F90 VanDerWaalsContact CD1-CD1 3.41Å; L50-F90 HydrophobicContact CD1-CD2 4.09Å; L50-F90 HydrophobicContact CD1-CE1 3.8Å; L50-F90 HydrophobicContact CD1-CE2 4.44Å; L50-F90 HydrophobicContact CD1-CG 3.58Å; L50-F90 HydrophobicContact CD1-CZ 4.3Å; L50-F90 HydrophobicContact CG-CD1 3.96Å; L50-F90 HydrophobicContact CG-CE1 4.49Å; L50-F90 HydrophobicContact CG-CG 4.41Å; L50-V91 PolarHBondContact N-O 2.8Å; L50-D92 WeakPolarHBondContact O-CA 3.13Å; L50-D93 PolarHBondContact O-N 3.45Å; L50-D93 VanDerWaalsContact O-N 3.09Å; L50-L99 HydrophobicContact CB-CD1 4.36Å; L50-L129 HydrophobicContact CD2-CD1 3.55Å |
| 51 | S | 89.7 | Confident | 85.8 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | trans | -68.8 | 155.9 | 165.9 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | S53 D54 Y55 D93 | S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 PolarHBondContact OG-OG 3.07Å; S51-D54 PolarHBondContact O-N 3.38Å; S51-D54 VanDerWaalsContact O-N 3.1Å; S51-D54 WeakPolarHBondContact OG-CB 3.23Å; S51-D54 PolarHBondContact OG-N 3.29Å; S51-D54 VanDerWaalsContact OG-N 3.07Å; S51-D54 PolarHBondContact OG-OD2 3.41Å; S51-Y55 PolarHBondContact O-N 3.14Å; S51-D93 WeakPolarHBondContact CA-OD1 3.36Å; S51-D93 WeakPolarHBondContact CA-OD2 3.36Å; S51-D93 WeakPolarHBondContact CB-OD2 3.45Å | ||
| 52 | L | 87.9 | Confident | 86.5 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.3 | -38 | 173.1 | -175.6 | 62.5 | 0 | 0 | 0 | 112 | Y55 D56 L99 F100 | L52-Y55 WeakPolarHBondContact O-CB 3.44Å; L52-Y55 PolarHBondContact O-N 2.87Å; L52-D56 PolarHBondContact O-N 3.1Å; L52-L99 HydrophobicContact CD1-CD2 4.11Å; L52-F100 HydrophobicContact CD1-CE2 3.33Å; L52-F100 HydrophobicContact CD1-CZ 3.76Å |
| 53 | S | 90 | Very high | 87.1 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 175.1 | 35.2 | 0 | 0 | 0 | 0 | 113.2 | S51 Y55 D56 S57 | S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 PolarHBondContact OG-OG 3.07Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 PolarHBondContact O-N 3.3Å; S53-D56 PolarHBondContact O-N 3.24Å; S53-S57 PolarHBondContact O-N 3.15Å |
| 54 | D | 92.2 | Very high | 87.7 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.9 | -32.7 | 177.6 | -66.2 | -41.5 | 0 | 0 | 0 | 111.3 | L50 S51 S57 I60 L129 | L50-D54 HydrophobicContact CB-CB 4.33Å; L50-D54 HydrophobicContact CD2-CB 4.4Å; S51-D54 PolarHBondContact O-N 3.38Å; S51-D54 VanDerWaalsContact O-N 3.1Å; S51-D54 WeakPolarHBondContact OG-CB 3.23Å; S51-D54 PolarHBondContact OG-N 3.29Å; S51-D54 VanDerWaalsContact OG-N 3.07Å; S51-D54 PolarHBondContact OG-OD2 3.41Å; D54-S57 WeakPolarHBondContact O-CB 3.27Å; D54-S57 PolarHBondContact O-N 3.19Å; D54-S57 PolarHBondContact O-OG 3.37Å; D54-I60 WeakPolarHBondContact O-CB 3.29Å; D54-I60 VanDerWaalsContact O-CG1 3.28Å; D54-I60 WeakPolarHBondContact O-CG1 3.27Å; D54-L129 HydrophobicContact CB-CD1 4.42Å |
| 55 | Y | 91.8 | Very high | 88.7 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 176.2 | -171.6 | -111.7 | 0 | 0 | 0 | 112.7 | S51 L52 S53 S57 I60 C61 S62 S63 H64 F90 L99 F100 | S51-Y55 PolarHBondContact O-N 3.14Å; L52-Y55 WeakPolarHBondContact O-CB 3.44Å; L52-Y55 PolarHBondContact O-N 2.87Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 PolarHBondContact O-N 3.3Å; Y55-S57 VanDerWaalsContact C-N 3.29Å; Y55-S57 PolarHBondContact O-N 3.27Å; Y55-I60 HydrophobicContact CD2-CG2 3.49Å; Y55-I60 VanDerWaalsContact CD2-CG2 3.49Å; Y55-I60 HydrophobicContact CE2-CG2 3.85Å; Y55-I60 HydrophobicContact CG-CG2 4.33Å; Y55-I60 WeakPolarHBondContact O-CB 3.41Å; Y55-I60 WeakPolarHBondContact O-CG2 3.32Å; Y55-C61 PolarHBondContact O-N 3.06Å; Y55-S62 VanDerWaalsContact CE1-CA 3.45Å; Y55-S62 WeakPolarHBondContact O-CA 3.25Å; Y55-S62 PolarHBondContact O-N 3.06Å; Y55-S62 VanDerWaalsContact OH-C 3.26Å; Y55-S62 PolarHBondContact OH-O 3.17Å; Y55-S63 PolarHBondContact OH-N 3.34Å; Y55-H64 AromaticContact CE2-CE1 3.96Å; Y55-H64 PolarHBondContact OH-NE2 3.37Å; Y55-F90 HydrophobicContact CD2-CB 4.43Å; Y55-F90 HydrophobicContact CD2-CD2 4.46Å; Y55-F90 HydrophobicContact CE2-CB 4.45Å; Y55-F90 HydrophobicContact CE2-CD2 4.27Å; Y55-L99 HydrophobicContact CD1-CB 4.07Å; Y55-L99 HydrophobicContact CD1-CD1 4.5Å; Y55-L99 HydrophobicContact CD1-CD2 4.45Å; Y55-L99 HydrophobicContact CD2-CB 3.95Å; Y55-L99 HydrophobicContact CD2-CD1 3.69Å; Y55-L99 HydrophobicContact CD2-CG 4.39Å; Y55-L99 HydrophobicContact CE1-CB 3.96Å; Y55-L99 HydrophobicContact CE2-CB 3.89Å; Y55-L99 HydrophobicContact CE2-CD1 4.39Å; Y55-L99 HydrophobicContact CG-CB 4.05Å; Y55-L99 HydrophobicContact CG-CD1 3.76Å; Y55-L99 HydrophobicContact CG-CD2 4.41Å; Y55-L99 HydrophobicContact CG-CG 4.3Å; Y55-L99 PolarHBondContact OH-O 3.09Å; Y55-F100 HydrophobicContact CD1-CD2 4.14Å; Y55-F100 AromaticContact CE1-CD2 3.85Å; Y55-F100 HydrophobicContact CE1-CD2 3.85Å |
| 56 | D | 90.6 | Very high | 89.8 | Confident | 93 Ų | 93 | 35.2 Ų | 35.2 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.8 | 177.6 | -72.4 | -21.7 | 0 | 0 | 0 | 113.7 | L52 S53 S62 | L52-D56 PolarHBondContact O-N 3.1Å; S53-D56 PolarHBondContact O-N 3.24Å; D56-S62 PolarHBondContact OD1-OG 2.69Å |
| 57 | S | 92 | Very high | 90.6 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -59.3 | 161.8 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | S53 D54 Y55 V59 I60 C61 | S53-S57 PolarHBondContact O-N 3.15Å; D54-S57 WeakPolarHBondContact O-CB 3.27Å; D54-S57 PolarHBondContact O-N 3.19Å; D54-S57 PolarHBondContact O-OG 3.37Å; Y55-S57 VanDerWaalsContact C-N 3.29Å; Y55-S57 PolarHBondContact O-N 3.27Å; S57-V59 PolarHBondContact O-N 3.17Å; S57-V59 VanDerWaalsContact O-N 3.16Å; S57-V59 PolarHBondContact OG-N 3.36Å; S57-I60 PolarHBondContact O-N 3.36Å; S57-I60 PolarHBondContact OG-N 2.91Å; S57-C61 WeakPolarHBondContact O-CA 3.17Å; S57-C61 PolarHBondContact O-N 2.72Å |
| 58 | E | 93.6 | Very high | 91.6 | Very high | 79 Ų | 79 | 31 Ų | 31 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | 174 | -65.1 | -168.4 | 106.2 | 0 | 0 | 112.9 | R119 K120 L121 | E58-R119 IonicContact OE1-CZ 3.67Å; E58-R119 IonicContact OE1-NE 3.9Å; E58-R119 PolarHBondContact OE1-NE 3.06Å; E58-R119 IonicContact OE1-NH2 3.57Å; E58-R119 PolarHBondContact OE1-NH2 3.47Å; E58-R119 IonicContact OE2-NH2 2.87Å; E58-R119 PolarHBondContact OE2-NH2 3.18Å; E58-K120 CarbonylContact O-C 3.53Å; E58-K120 WeakPolarHBondContact O-CA 2.9Å; E58-L121 HydrophobicContact CB-CB 4.14Å; E58-L121 PolarHBondContact O-N 2.89Å |
| 59 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -52.6 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | S57 K120 L121 Y123 L129 E132 | S57-V59 PolarHBondContact O-N 3.17Å; S57-V59 VanDerWaalsContact O-N 3.16Å; S57-V59 PolarHBondContact OG-N 3.36Å; V59-K120 WeakPolarHBondContact O-CE 3.35Å; V59-K120 PolarHBondContact O-NZ 2.9Å; V59-L121 HydrophobicContact CG2-CB 4.08Å; V59-L121 HydrophobicContact CG2-CD2 3.71Å; V59-L121 HydrophobicContact CG2-CG 3.98Å; V59-Y123 HydrophobicContact CG1-CD2 3.76Å; V59-Y123 HydrophobicContact CG1-CG 4.41Å; V59-L129 HydrophobicContact CB-CD2 3.9Å; V59-L129 HydrophobicContact CG1-CD2 3.96Å; V59-L129 HydrophobicContact CG2-CD2 4.17Å; V59-E132 HydrophobicContact CG2-CG 3.9Å |
| 60 | I | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -33.8 | -177.4 | -51.8 | -58.6 | 0 | 0 | 0 | 111.4 | L50 D54 Y55 S57 S62 S63 L66 F90 K120 L129 | L50-I60 HydrophobicContact CD1-CD1 4.03Å; L50-I60 HydrophobicContact CD1-CG1 3.9Å; L50-I60 HydrophobicContact CD1-CG2 4.32Å; D54-I60 WeakPolarHBondContact O-CB 3.29Å; D54-I60 VanDerWaalsContact O-CG1 3.28Å; D54-I60 WeakPolarHBondContact O-CG1 3.27Å; Y55-I60 HydrophobicContact CD2-CG2 3.49Å; Y55-I60 VanDerWaalsContact CD2-CG2 3.49Å; Y55-I60 HydrophobicContact CE2-CG2 3.85Å; Y55-I60 HydrophobicContact CG-CG2 4.33Å; Y55-I60 WeakPolarHBondContact O-CB 3.41Å; Y55-I60 WeakPolarHBondContact O-CG2 3.32Å; S57-I60 PolarHBondContact O-N 3.36Å; S57-I60 PolarHBondContact OG-N 2.91Å; I60-S62 VanDerWaalsContact C-N 3.26Å; I60-S62 PolarHBondContact O-N 3.42Å; I60-S63 WeakPolarHBondContact CG2-O 3.37Å; I60-S63 PolarHBondContact O-N 3.3Å; I60-S63 VanDerWaalsContact O-N 3.16Å; I60-S63 PolarHBondContact O-OG 3.04Å; I60-L66 HydrophobicContact CD1-CD2 3.36Å; I60-F90 HydrophobicContact CD1-CE1 4.49Å; I60-F90 HydrophobicContact CD1-CE2 3.97Å; I60-F90 HydrophobicContact CD1-CZ 3.81Å; I60-F90 HydrophobicContact CG2-CD2 3.85Å; I60-F90 HydrophobicContact CG2-CE2 3.77Å; I60-K120 PolarHBondContact O-NZ 3.05Å; I60-L129 HydrophobicContact CD1-CD2 4.49Å; I60-L129 HydrophobicContact CG1-CD2 4.32Å |
| 61 | C | 92 | Very high | 93 | Very high | 23 Ų | 23 | 31 Ų | 31 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 45.3 | 169 | -160.5 | 0 | 0 | 0 | 0 | 111.6 | Y55 S57 S63 S118 K120 | Y55-C61 PolarHBondContact O-N 3.06Å; S57-C61 WeakPolarHBondContact O-CA 3.17Å; S57-C61 PolarHBondContact O-N 2.72Å; C61-S63 PolarHBondContact O-N 2.84Å; C61-S63 VanDerWaalsContact O-N 3.11Å; C61-S118 PolarHBondContact SG-OG 3.36Å; C61-K120 HydrophobicContact CB-CD 4.38Å; C61-K120 HydrophobicContact CB-CG 4.07Å |
| 62 | S | 91 | Very high | 93 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 42.5 | -178.8 | -38.2 | 0 | 0 | 0 | 0 | 112.8 | Y55 D56 I60 | Y55-S62 VanDerWaalsContact CE1-CA 3.45Å; Y55-S62 WeakPolarHBondContact O-CA 3.25Å; Y55-S62 PolarHBondContact O-N 3.06Å; Y55-S62 VanDerWaalsContact OH-C 3.26Å; Y55-S62 PolarHBondContact OH-O 3.17Å; D56-S62 PolarHBondContact OD1-OG 2.69Å; I60-S62 VanDerWaalsContact C-N 3.26Å; I60-S62 PolarHBondContact O-N 3.42Å |
| 63 | S | 92 | Very high | 93.2 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -142.6 | 149.3 | -175.7 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | Y55 I60 C61 W65 K120 | Y55-S63 PolarHBondContact OH-N 3.34Å; I60-S63 WeakPolarHBondContact CG2-O 3.37Å; I60-S63 PolarHBondContact O-N 3.3Å; I60-S63 VanDerWaalsContact O-N 3.16Å; I60-S63 PolarHBondContact O-OG 3.04Å; C61-S63 PolarHBondContact O-N 2.84Å; C61-S63 VanDerWaalsContact O-N 3.11Å; S63-W65 VanDerWaalsContact C-N 3.25Å; S63-W65 PolarHBondContact O-N 3.15Å; S63-W65 PolarHBondContact OG-NE1 2.99Å; S63-K120 PolarHBondContact OG-NZ 3.15Å; S63-K120 VanDerWaalsContact OG-NZ 3.11Å |
| 64 | H | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.023 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -90.6 | 39.6 | 180 | -63.6 | -73.7 | 0 | 0 | 0 | 114.4 | Y55 C88 F90 L99 E101 R108 | Y55-H64 AromaticContact CE2-CE1 3.96Å; Y55-H64 PolarHBondContact OH-NE2 3.37Å; H64-C88 CarbonylContact O-C 3.49Å; H64-C88 PolarHBondContact O-N 3.18Å; H64-F90 PolarHBondContact CE1-O 3.38Å; H64-F90 AromaticContact ND1-CD2 3.83Å; H64-F90 PolarHBondContact ND1-N 2.88Å; H64-F90 VanDerWaalsContact ND1-N 3.17Å; H64-L99 PolarHBondContact CE1-O 2.82Å; H64-L99 VanDerWaalsContact CE1-O 3.28Å; H64-L99 PolarHBondContact NE2-O 3.03Å; H64-E101 WeakPolarHBondContact CD2-CB 3.36Å; H64-E101 WeakPolarHBondContact NE2-CB 3.4Å; H64-R108 PolarHBondContact O-NH1 2.91Å |
| 65 | W | 94.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 8% | 0.076 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.7 | 172 | 64.7 | -83.4 | 0 | 0 | 0 | 110.9 | S63 I85 E86 I114 L116 K120 L140 L145 | S63-W65 VanDerWaalsContact C-N 3.25Å; S63-W65 PolarHBondContact O-N 3.15Å; S63-W65 PolarHBondContact OG-NE1 2.99Å; W65-I85 HydrophobicContact CE3-CB 4.11Å; W65-I85 HydrophobicContact CE3-CG2 4.05Å; W65-I85 HydrophobicContact CZ3-CB 4.41Å; W65-I85 HydrophobicContact CZ3-CG2 3.83Å; W65-E86 CarbonylContact C-O 3.54Å; W65-E86 WeakPolarHBondContact CA-O 3.33Å; W65-E86 VanDerWaalsContact CB-O 3.26Å; W65-E86 WeakPolarHBondContact CB-O 3.3Å; W65-I114 HydrophobicContact CD2-CG2 4.46Å; W65-I114 HydrophobicContact CZ2-CG2 3.8Å; W65-L116 HydrophobicContact CZ2-CD1 4.06Å; W65-K120 HydrophobicContact CD2-CD 4.49Å; W65-K120 HydrophobicContact CE3-CD 4.26Å; W65-K120 HydrophobicContact CH2-CD 3.43Å; W65-K120 VanDerWaalsContact CH2-CD 3.43Å; W65-K120 HydrophobicContact CZ2-CD 3.66Å; W65-K120 HydrophobicContact CZ3-CD 3.76Å; W65-K120 WeakPolarHBondContact O-CE 2.99Å; W65-K120 PolarHBondContact O-NZ 3.38Å; W65-L140 HydrophobicContact CH2-CD2 3.95Å; W65-L140 HydrophobicContact CZ3-CD2 4.42Å; W65-L145 HydrophobicContact CH2-CD1 3.84Å; W65-L145 HydrophobicContact CZ3-CD1 4.09Å |
| 66 | L | 96 | Very high | 91.6 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141 | 177.7 | -65.2 | 174.9 | 0 | 0 | 0 | 110.6 | I60 I85 E86 F90 Y123 | I60-L66 HydrophobicContact CD1-CD2 3.36Å; L66-I85 CarbonylContact O-C 3.54Å; L66-I85 WeakPolarHBondContact O-CA 3.42Å; L66-I85 WeakPolarHBondContact O-CB 3.43Å; L66-E86 HydrophobicContact CB-CB 4.31Å; L66-E86 PolarHBondContact N-O 2.93Å; L66-E86 PolarHBondContact O-N 2.86Å; L66-F90 HydrophobicContact CD1-CZ 4.19Å; L66-F90 HydrophobicContact CD2-CE2 4.36Å; L66-F90 HydrophobicContact CD2-CZ 3.82Å; L66-F90 HydrophobicContact CG-CZ 3.88Å; L66-Y123 HydrophobicContact CD1-CD1 3.86Å; L66-Y123 HydrophobicContact CD1-CD2 4.31Å; L66-Y123 HydrophobicContact CD1-CE1 4.09Å; L66-Y123 HydrophobicContact CD1-CG 3.96Å; L66-Y123 HydrophobicContact CD2-CD2 4.14Å; L66-Y123 HydrophobicContact CD2-CG 4.13Å; L66-Y123 HydrophobicContact CG-CG 4.48Å |
| 67 | Y | 97.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.4 | 166.3 | 170.6 | -127.7 | 0 | 0 | 0 | 108.4 | R83 I85 C122 Y123 L140 | Y67-R83 HydrophobicContact CD2-CG 4.43Å; Y67-R83 HydrophobicContact CE2-CG 3.94Å; Y67-I85 HydrophobicContact CD2-CG2 4.4Å; Y67-C122 HydrophobicContact CD1-CB 3.98Å; Y67-C122 HydrophobicContact CE1-CB 3.97Å; Y67-C122 CarbonylContact O-C 3.56Å; Y67-C122 VanDerWaalsContact O-CA 3.32Å; Y67-C122 WeakPolarHBondContact O-CA 3.16Å; Y67-Y123 PolarHBondContact O-N 2.8Å; Y67-L140 HydrophobicContact CD1-CB 3.71Å; Y67-L140 HydrophobicContact CD2-CD2 4.44Å; Y67-L140 HydrophobicContact CE1-CB 3.68Å; Y67-L140 HydrophobicContact CG-CB 4.18Å; Y67-L140 HydrophobicContact CG-CD2 4.41Å |
| 68 | W | 96.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -1.4 | -178.1 | -78 | 90.1 | 0 | 0 | 0 | 113.7 | I33 N34 M37 H46 V84 E86 C122 Y123 | I33-W68 HydrophobicContact CB-CD2 4.1Å; I33-W68 HydrophobicContact CB-CE3 4.49Å; I33-W68 HydrophobicContact CB-CG 4.37Å; I33-W68 HydrophobicContact CB-CZ2 4.39Å; I33-W68 HydrophobicContact CD1-CG 4.47Å; I33-W68 HydrophobicContact CG2-CB 3.66Å; I33-W68 HydrophobicContact CG2-CD2 3.38Å; I33-W68 HydrophobicContact CG2-CE3 3.81Å; I33-W68 HydrophobicContact CG2-CG 3.35Å; N34-W68 HydrophobicContact CB-CH2 3.82Å; N34-W68 HydrophobicContact CB-CZ3 3.68Å; M37-W68 WeakPolarHBondContact CE-O 3.37Å; M37-W68 HydrophobicContact CG-CB 4.46Å; H46-W68 AromaticContact CE1-CH2 3.5Å; H46-W68 AromaticContact ND1-CH2 3.99Å; H46-W68 AromaticContact NE2-CH2 3.87Å; W68-V84 HydrophobicContact CB-CB 4.23Å; W68-V84 HydrophobicContact CB-CG1 4.4Å; W68-V84 PolarHBondContact N-O 3.06Å; W68-E86 VanDerWaalsContact CZ2-OE2 3.31Å; W68-E86 WeakPolarHBondContact CZ2-OE2 3.37Å; W68-E86 VanDerWaalsContact NE1-CB 3.33Å; W68-E86 PolarHBondContact NE1-OE2 3.08Å; W68-C122 PolarHBondContact O-SG 2.96Å; W68-Y123 HydrophobicContact CD2-CD1 4.1Å; W68-Y123 AromaticContact CE2-CD1 3.85Å; W68-Y123 HydrophobicContact CE3-CD1 4.04Å; W68-Y123 AromaticContact CH2-CD1 3.65Å; W68-Y123 HydrophobicContact CH2-CD1 3.65Å; W68-Y123 AromaticContact CH2-CE1 3.55Å; W68-Y123 HydrophobicContact CH2-CE1 3.55Å; W68-Y123 AromaticContact CZ2-CD1 3.64Å; W68-Y123 HydrophobicContact CZ2-CD1 3.64Å; W68-Y123 AromaticContact CZ2-CE1 3.71Å; W68-Y123 HydrophobicContact CZ2-CE1 3.71Å; W68-Y123 AromaticContact CZ3-CD1 3.82Å; W68-Y123 HydrophobicContact CZ3-CD1 3.82Å; W68-Y123 HydrophobicContact CZ3-CE1 4.07Å |
| 69 | G | 95.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.3 | -175.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V84 C122 | G69-V84 PolarHBondContact O-N 3.38Å; G69-C122 VanDerWaalsContact CA-SG 3.59Å; G69-C122 PolarHBondContact N-SG 2.9Å; G69-C122 VanDerWaalsContact N-SG 3.41Å |
| 70 | D | 94.9 | Very high | 89.6 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.5 | 177.4 | -69.1 | -24.3 | 0 | 0 | 0 | 109.7 | K8 V82 R83 | K8-D70 WeakPolarHBondContact CD-OD2 3.31Å; K8-D70 WeakPolarHBondContact CE-OD2 3.35Å; K8-D70 IonicContact NZ-OD2 2.7Å; K8-D70 PolarHBondContact NZ-OD2 3.01Å; D70-V82 CarbonylContact C-O 3.53Å; D70-V82 WeakPolarHBondContact CA-O 3.16Å; D70-R83 WeakPolarHBondContact OD1-CB 3.41Å; D70-R83 WeakPolarHBondContact OD1-CG 3.39Å; D70-R83 IonicContact OD1-CZ 2.68Å; D70-R83 IonicContact OD1-NE 3.45Å; D70-R83 PolarHBondContact OD1-NE 2.97Å; D70-R83 IonicContact OD1-NH2 3.56Å; D70-R83 PolarHBondContact OD1-NH2 3.25Å; D70-R83 IonicContact OD2-CZ 2.66Å; D70-R83 IonicContact OD2-NE 2.99Å; D70-R83 IonicContact OD2-NH2 3.84Å; D70-R83 PolarHBondContact OD2-NH2 2.95Å |
| 71 | S | 93.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | -179.6 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | V82 | S71-V82 PolarHBondContact N-O 3.41Å; S71-V82 PolarHBondContact O-N 2.82Å; S71-V82 VanDerWaalsContact O-O 3.13Å |
| 72 | S | 91.3 | Very high | 89.8 | Confident | 46 Ų | 46 | 34.1 Ų | 34.1 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.6 | 174.7 | 65 | 0 | 0 | 0 | 0 | 111.7 | K79 L80 | S72-K79 WeakPolarHBondContact OG-CE 3.21Å; S72-L80 CarbonylContact C-O 3.54Å; S72-L80 VanDerWaalsContact CA-O 3.25Å; S72-L80 WeakPolarHBondContact CA-O 3.28Å |
| 73 | V | 91.7 | Very high | 90 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.7 | 174.8 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | F36 V75 L80 V82 F235 Q236 A239 | F36-V73 HydrophobicContact CE2-CG1 3.6Å; F36-V73 HydrophobicContact CZ-CG1 3.54Å; V73-V75 HydrophobicContact CG2-CG2 4.25Å; V73-L80 HydrophobicContact CG2-CB 4.03Å; V73-L80 PolarHBondContact N-O 3.15Å; V73-L80 PolarHBondContact O-N 3.32Å; V73-V82 HydrophobicContact CG1-CG2 4.46Å; V73-V82 HydrophobicContact CG2-CG1 4.15Å; V73-F235 HydrophobicContact CG1-CB 4.35Å; V73-Q236 HydrophobicContact CB-CG 3.96Å; V73-Q236 HydrophobicContact CG1-CG 4.38Å; V73-Q236 HydrophobicContact CG2-CG 4.48Å; V73-A239 HydrophobicContact CG2-CB 3.37Å |
| 74 | N | 86.7 | Confident | 90.3 | Very high | 86 Ų | 86 | 32 Ų | 32 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.4 | 173.4 | -167.4 | -15.8 | 0 | 0 | 0 | 108.9 | G77 C78 Q236 | N74-G77 WeakPolarHBondContact OD1-CA 2.99Å; N74-G77 PolarHBondContact OD1-N 3.14Å; N74-G77 VanDerWaalsContact OD1-N 3.1Å; N74-C78 WeakPolarHBondContact CA-O 3.04Å; N74-C78 PolarHBondContact OD1-N 3.01Å; N74-C78 PolarHBondContact OD1-O 2.87Å; N74-Q236 PolarHBondContact O-NE2 2.95Å |
| 75 | V | 80.8 | Confident | 90.6 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 113.7 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | V73 G77 C78 L80 Q236 V240 | V73-V75 HydrophobicContact CG2-CG2 4.25Å; V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.68Å; V75-C78 PolarHBondContact N-O 3.21Å; V75-C78 WeakPolarHBondContact O-CA 3.38Å; V75-C78 VanDerWaalsContact O-CB 3.3Å; V75-C78 WeakPolarHBondContact O-CB 3.47Å; V75-C78 PolarHBondContact O-N 3.13Å; V75-L80 HydrophobicContact CB-CD1 4.49Å; V75-L80 HydrophobicContact CG2-CD1 4.22Å; V75-Q236 HydrophobicContact CG2-CB 4.14Å; V75-Q236 HydrophobicContact CG2-CG 4.08Å; V75-V240 HydrophobicContact CB-CG2 4.31Å; V75-V240 HydrophobicContact CG1-CG2 3.71Å; V75-V240 HydrophobicContact CG2-CG2 4.05Å |
| 76 | N | 71.8 | Confident | 90.7 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 36.3 | 178.2 | -53.6 | -0.6 | 0 | 0 | 0 | 114.4 | C78 S260 | N76-C78 PolarHBondContact O-N 3.37Å; N76-S260 VanDerWaalsContact CG-OG 3.29Å; N76-S260 WeakPolarHBondContact ND2-CA 3.38Å; N76-S260 PolarHBondContact ND2-OG 3.28Å; N76-S260 WeakPolarHBondContact OD1-CA 3.48Å; N76-S260 WeakPolarHBondContact OD1-CB 3.35Å; N76-S260 PolarHBondContact OD1-O 3.11Å; N76-S260 PolarHBondContact OD1-OG 3.46Å |
| 77 | G | 75.1 | Confident | 90.7 | Very high | 67 Ų | 67 | 31 Ų | 31 | 69% | 0.691 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N74 V75 | N74-G77 WeakPolarHBondContact OD1-CA 2.99Å; N74-G77 PolarHBondContact OD1-N 3.14Å; N74-G77 VanDerWaalsContact OD1-N 3.1Å; V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.68Å |
| 78 | C | 77.1 | Confident | 90.4 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 14% | 0.142 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.1 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | M1 F3 N74 V75 N76 L80 | M1-C78 PolarHBondContact O-SG 3.39Å; F3-C78 HydrophobicContact CD2-CB 3.19Å; F3-C78 WeakPolarHBondContact CD2-SG 3.47Å; F3-C78 HydrophobicContact CE2-CB 3.27Å; F3-C78 WeakPolarHBondContact CE2-SG 3.3Å; F3-C78 HydrophobicContact CG-CB 4.27Å; F3-C78 HydrophobicContact CZ-CB 4.41Å; N74-C78 WeakPolarHBondContact CA-O 3.04Å; N74-C78 PolarHBondContact OD1-N 3.01Å; N74-C78 PolarHBondContact OD1-O 2.87Å; V75-C78 PolarHBondContact N-O 3.21Å; V75-C78 WeakPolarHBondContact O-CA 3.38Å; V75-C78 VanDerWaalsContact O-CB 3.3Å; V75-C78 WeakPolarHBondContact O-CB 3.47Å; V75-C78 PolarHBondContact O-N 3.13Å; N76-C78 PolarHBondContact O-N 3.37Å; C78-L80 PolarHBondContact O-N 3.45Å |
| 79 | K | 87 | Confident | 90 | Very high | 127 Ų | 127 | 32.8 Ų | 32.8 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.4 | 177.2 | -168.6 | 177.5 | -175.5 | -179.1 | 0 | 109.1 | S72 | S72-K79 WeakPolarHBondContact OG-CE 3.21Å |
| 80 | L | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.5 | 172.7 | -62.6 | 176.3 | 0 | 0 | 0 | 108.7 | F3 S72 V73 V75 C78 A239 V240 | F3-L80 HydrophobicContact CB-CD2 4.47Å; F3-L80 HydrophobicContact CD1-CD2 3.81Å; F3-L80 HydrophobicContact CE1-CD2 4.14Å; F3-L80 HydrophobicContact CG-CD2 4.11Å; S72-L80 CarbonylContact C-O 3.54Å; S72-L80 VanDerWaalsContact CA-O 3.25Å; S72-L80 WeakPolarHBondContact CA-O 3.28Å; V73-L80 HydrophobicContact CG2-CB 4.03Å; V73-L80 PolarHBondContact N-O 3.15Å; V73-L80 PolarHBondContact O-N 3.32Å; V75-L80 HydrophobicContact CB-CD1 4.49Å; V75-L80 HydrophobicContact CG2-CD1 4.22Å; C78-L80 PolarHBondContact O-N 3.45Å; L80-A239 HydrophobicContact CB-CB 4.25Å; L80-A239 HydrophobicContact CD1-CB 3.94Å; L80-V240 HydrophobicContact CD1-CG2 4.41Å |
| 81 | H | 92.7 | Very high | 89.4 | Confident | 80 Ų | 80 | 30.5 Ų | 30.5 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.4 | 175.8 | -69.6 | -85.9 | 0 | 0 | 0 | 109.6 | K8 V9 | K8-H81 HydrophobicContact CG-CB 4.14Å; V9-H81 PolarHBondContact N-O 3.25Å |
| 82 | V | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.8 | -179.3 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | V9 I11 F36 D70 S71 V73 A239 | V9-V82 HydrophobicContact CB-CG1 4.46Å; V9-V82 CarbonylContact O-C 3.52Å; V9-V82 VanDerWaalsContact O-CA 3.29Å; V9-V82 WeakPolarHBondContact O-CA 3.36Å; I11-V82 HydrophobicContact CD1-CB 3.87Å; I11-V82 HydrophobicContact CD1-CG1 3.85Å; F36-V82 HydrophobicContact CE1-CG2 3.98Å; F36-V82 HydrophobicContact CZ-CG2 3.9Å; D70-V82 CarbonylContact C-O 3.53Å; D70-V82 WeakPolarHBondContact CA-O 3.16Å; S71-V82 PolarHBondContact N-O 3.41Å; S71-V82 PolarHBondContact O-N 2.82Å; S71-V82 VanDerWaalsContact O-O 3.13Å; V73-V82 HydrophobicContact CG1-CG2 4.46Å; V73-V82 HydrophobicContact CG2-CG1 4.15Å; V82-A239 HydrophobicContact CG1-CB 3.6Å |
| 83 | R | 96.4 | Very high | 88.8 | Confident | 37 Ų | 37 | 29.4 Ų | 29.4 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.4 | 168.9 | 173.1 | 165.1 | -63.5 | 171.4 | -5.5 | 107.5 | V9 T10 I11 Y67 D70 | V9-R83 PolarHBondContact O-N 3.45Å; T10-R83 HydrophobicContact CG2-CG 4.38Å; I11-R83 PolarHBondContact N-O 3.35Å; Y67-R83 HydrophobicContact CD2-CG 4.43Å; Y67-R83 HydrophobicContact CE2-CG 3.94Å; D70-R83 WeakPolarHBondContact OD1-CB 3.41Å; D70-R83 WeakPolarHBondContact OD1-CG 3.39Å; D70-R83 IonicContact OD1-CZ 2.68Å; D70-R83 IonicContact OD1-NE 3.45Å; D70-R83 PolarHBondContact OD1-NE 2.97Å; D70-R83 IonicContact OD1-NH2 3.56Å; D70-R83 PolarHBondContact OD1-NH2 3.25Å; D70-R83 IonicContact OD2-CZ 2.66Å; D70-R83 IonicContact OD2-NE 2.99Å; D70-R83 IonicContact OD2-NH2 3.84Å; D70-R83 PolarHBondContact OD2-NH2 2.95Å |
| 84 | V | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 110 | V13 I33 F36 M37 W68 G69 F235 | V13-V84 HydrophobicContact CG2-CG1 4Å; I33-V84 HydrophobicContact CD1-CG1 4.27Å; I33-V84 HydrophobicContact CG1-CG1 4.13Å; I33-V84 HydrophobicContact CG2-CB 4.41Å; I33-V84 HydrophobicContact CG2-CG1 3.65Å; F36-V84 HydrophobicContact CD1-CG2 4.29Å; F36-V84 HydrophobicContact CE1-CG2 4.03Å; M37-V84 HydrophobicContact SD-CG2 4.32Å; W68-V84 HydrophobicContact CB-CB 4.23Å; W68-V84 HydrophobicContact CB-CG1 4.4Å; W68-V84 PolarHBondContact N-O 3.06Å; G69-V84 PolarHBondContact O-N 3.38Å; V84-F235 HydrophobicContact CG1-CE1 4.05Å; V84-F235 HydrophobicContact CG2-CD1 4.25Å; V84-F235 HydrophobicContact CG2-CE1 4.06Å |
| 85 | I | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.3 | 168.6 | 68.1 | 172.9 | 0 | 0 | 0 | 109.5 | I11 V13 W65 L66 Y67 I114 L145 V147 | I11-I85 WeakPolarHBondContact O-CG1 3.39Å; I11-I85 PolarHBondContact O-N 3.11Å; V13-I85 PolarHBondContact N-O 3.27Å; W65-I85 HydrophobicContact CE3-CB 4.11Å; W65-I85 HydrophobicContact CE3-CG2 4.05Å; W65-I85 HydrophobicContact CZ3-CB 4.41Å; W65-I85 HydrophobicContact CZ3-CG2 3.83Å; L66-I85 CarbonylContact O-C 3.54Å; L66-I85 WeakPolarHBondContact O-CA 3.42Å; L66-I85 WeakPolarHBondContact O-CB 3.43Å; Y67-I85 HydrophobicContact CD2-CG2 4.4Å; I85-I114 HydrophobicContact CD1-CD1 3.36Å; I85-L145 HydrophobicContact CG2-CD1 4.31Å; I85-V147 HydrophobicContact CD1-CG2 4.24Å |
| 86 | E | 97.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.5 | 174.6 | -172.8 | -180 | -177.1 | 0 | 0 | 110 | K29 S30 I33 W65 L66 W68 | K29-E86 HydrophobicContact CB-CG 4.41Å; K29-E86 WeakPolarHBondContact CB-OE1 3.43Å; K29-E86 WeakPolarHBondContact CE-OE1 3.46Å; S30-E86 PolarHBondContact N-OE1 3.08Å; S30-E86 PolarHBondContact OG-OE1 3.43Å; S30-E86 PolarHBondContact OG-OE2 3.05Å; I33-E86 HydrophobicContact CD1-CB 3.62Å; I33-E86 HydrophobicContact CD1-CG 3.83Å; W65-E86 CarbonylContact C-O 3.54Å; W65-E86 WeakPolarHBondContact CA-O 3.33Å; W65-E86 VanDerWaalsContact CB-O 3.26Å; W65-E86 WeakPolarHBondContact CB-O 3.3Å; L66-E86 HydrophobicContact CB-CB 4.31Å; L66-E86 PolarHBondContact N-O 2.93Å; L66-E86 PolarHBondContact O-N 2.86Å; W68-E86 VanDerWaalsContact CZ2-OE2 3.31Å; W68-E86 WeakPolarHBondContact CZ2-OE2 3.37Å; W68-E86 VanDerWaalsContact NE1-CB 3.33Å; W68-E86 PolarHBondContact NE1-OE2 3.08Å |
| 87 | Q | 96 | Very high | 88.5 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.3 | 170.8 | -62.7 | -76.1 | 4.8 | 0 | 0 | 108.5 | S12 V13 V14 K29 Y105 C109 | S12-Q87 WeakPolarHBondContact OG-CG 3.33Å; V13-Q87 PolarHBondContact O-N 3.31Å; V14-Q87 HydrophobicContact CG1-CB 4Å; V14-Q87 HydrophobicContact CG1-CG 3.84Å; K29-Q87 WeakPolarHBondContact CE-O 3.46Å; Q87-Y105 HydrophobicContact CB-CE2 4.15Å; Q87-Y105 WeakPolarHBondContact O-CE2 3.31Å; Q87-Y105 PolarHBondContact O-OH 3.38Å; Q87-C109 HydrophobicContact CB-CB 3.86Å; Q87-C109 HydrophobicContact CG-CB 4.19Å; Q87-C109 WeakPolarHBondContact CG-O 3.33Å |
| 88 | C | 92.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -114.8 | 174.7 | -174.8 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | H64 F90 Y105 R108 | H64-C88 CarbonylContact O-C 3.49Å; H64-C88 PolarHBondContact O-N 3.18Å; C88-F90 HydrophobicContact CB-CD2 4.43Å; C88-F90 HydrophobicContact CB-CE1 4Å; C88-F90 HydrophobicContact CB-CE2 3.89Å; C88-F90 HydrophobicContact CB-CZ 3.64Å; C88-Y105 WeakPolarHBondContact O-CD2 3.36Å; C88-R108 PolarHBondContact O-NH1 3.23Å; C88-R108 PolarHBondContact O-NH2 2.64Å | ||
| 89 | D | 88.4 | Confident | 88.7 | Confident | 38 Ų | 38 | 40.7 Ų | 40.7 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | trans | -139.2 | 102.3 | 168 | -158.2 | 19.1 | 0 | 0 | 0 | 108.7 | R24 Y105 R108 | R24-D89 PolarHBondContact NH1-O 2.81Å; D89-Y105 HydrophobicContact CB-CD2 3.96Å; D89-R108 IonicContact OD1-CZ 3.15Å; D89-R108 IonicContact OD1-NH2 2.75Å; D89-R108 PolarHBondContact OD1-NH2 2.87Å | ||
| 90 | F | 90 | Very high | 88 | Confident | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | trans | -92.8 | 135 | -171.4 | -64.1 | -58.5 | 0 | 0 | 0 | 109.8 | S48 L50 Y55 I60 H64 L66 C88 P98 L99 | S48-F90 WeakPolarHBondContact O-CA 3.46Å; L50-F90 HydrophobicContact CD1-CB 4.02Å; L50-F90 HydrophobicContact CD1-CD1 3.41Å; L50-F90 VanDerWaalsContact CD1-CD1 3.41Å; L50-F90 HydrophobicContact CD1-CD2 4.09Å; L50-F90 HydrophobicContact CD1-CE1 3.8Å; L50-F90 HydrophobicContact CD1-CE2 4.44Å; L50-F90 HydrophobicContact CD1-CG 3.58Å; L50-F90 HydrophobicContact CD1-CZ 4.3Å; L50-F90 HydrophobicContact CG-CD1 3.96Å; L50-F90 HydrophobicContact CG-CE1 4.49Å; L50-F90 HydrophobicContact CG-CG 4.41Å; Y55-F90 HydrophobicContact CD2-CB 4.43Å; Y55-F90 HydrophobicContact CD2-CD2 4.46Å; Y55-F90 HydrophobicContact CE2-CB 4.45Å; Y55-F90 HydrophobicContact CE2-CD2 4.27Å; I60-F90 HydrophobicContact CD1-CE1 4.49Å; I60-F90 HydrophobicContact CD1-CE2 3.97Å; I60-F90 HydrophobicContact CD1-CZ 3.81Å; I60-F90 HydrophobicContact CG2-CD2 3.85Å; I60-F90 HydrophobicContact CG2-CE2 3.77Å; H64-F90 PolarHBondContact CE1-O 3.38Å; H64-F90 AromaticContact ND1-CD2 3.83Å; H64-F90 PolarHBondContact ND1-N 2.88Å; H64-F90 VanDerWaalsContact ND1-N 3.17Å; L66-F90 HydrophobicContact CD1-CZ 4.19Å; L66-F90 HydrophobicContact CD2-CE2 4.36Å; L66-F90 HydrophobicContact CD2-CZ 3.82Å; L66-F90 HydrophobicContact CG-CZ 3.88Å; C88-F90 HydrophobicContact CB-CD2 4.43Å; C88-F90 HydrophobicContact CB-CE1 4Å; C88-F90 HydrophobicContact CB-CE2 3.89Å; C88-F90 HydrophobicContact CB-CZ 3.64Å; F90-P98 WeakPolarHBondContact O-CA 3.2Å; F90-L99 HydrophobicContact CB-CD1 4.26Å; F90-L99 PolarHBondContact O-N 3.32Å; F90-L99 VanDerWaalsContact O-N 3.14Å | ||
| 91 | V | 86.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.3 | 178.7 | 157.9 | 0 | 0 | 0 | 0 | 110.2 | S48 I49 L50 F96 Q97 P98 | S48-V91 PolarHBondContact O-N 3.36Å; I49-V91 CarbonylContact C-O 3.54Å; I49-V91 VanDerWaalsContact CA-O 3.29Å; I49-V91 WeakPolarHBondContact CA-O 3.19Å; I49-V91 HydrophobicContact CG1-CB 4.48Å; I49-V91 HydrophobicContact CG1-CG1 4.45Å; L50-V91 PolarHBondContact N-O 2.8Å; V91-F96 VanDerWaalsContact CG1-CA 3.44Å; V91-F96 HydrophobicContact CG1-CB 4.39Å; V91-Q97 WeakPolarHBondContact CA-O 3.27Å; V91-P98 HydrophobicContact CG2-CG 4.39Å |
| 92 | D | 86.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.064 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133.7 | 174.8 | -171.9 | -91.2 | 0 | 0 | 0 | 110.3 | L50 H94 L95 F96 Q97 L99 | L50-D92 WeakPolarHBondContact O-CA 3.13Å; D92-H94 VanDerWaalsContact C-N 3.28Å; D92-H94 PolarHBondContact O-N 2.81Å; D92-H94 WeakPolarHBondContact OD1-CA 3.48Å; D92-H94 WeakPolarHBondContact OD1-CB 3.19Å; D92-H94 PolarHBondContact OD1-N 2.75Å; D92-L95 HydrophobicContact CB-CB 4.23Å; D92-L95 PolarHBondContact OD1-N 3.11Å; D92-F96 VanDerWaalsContact O-CA 3.22Å; D92-F96 WeakPolarHBondContact O-CA 3.42Å; D92-F96 PolarHBondContact O-N 2.71Å; D92-Q97 PolarHBondContact N-O 3.18Å; D92-L99 HydrophobicContact CB-CD1 4.45Å; D92-L99 HydrophobicContact CB-CD2 3.67Å; D92-L99 HydrophobicContact CB-CG 3.85Å; D92-L99 VanDerWaalsContact OD2-CD2 3.32Å; D92-L99 WeakPolarHBondContact OD2-CD2 3.31Å |
| 93 | D | 85.8 | Confident | 86.6 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.1 | -179.3 | 63.1 | -12.6 | 0 | 0 | 0 | 114.3 | I49 L50 S51 | I49-D93 HydrophobicContact CG2-CB 3.72Å; L50-D93 PolarHBondContact O-N 3.45Å; L50-D93 VanDerWaalsContact O-N 3.09Å; S51-D93 WeakPolarHBondContact CA-OD1 3.36Å; S51-D93 WeakPolarHBondContact CA-OD2 3.36Å; S51-D93 WeakPolarHBondContact CB-OD2 3.45Å |
| 94 | H | 84.9 | Confident | 86.1 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -42.4 | 174.8 | -58.3 | -33.3 | 0 | 0 | 0 | 112.4 | D92 Y1246 | D92-H94 VanDerWaalsContact C-N 3.28Å; D92-H94 PolarHBondContact O-N 2.81Å; D92-H94 WeakPolarHBondContact OD1-CA 3.48Å; D92-H94 WeakPolarHBondContact OD1-CB 3.19Å; D92-H94 PolarHBondContact OD1-N 2.75Å; H94-Y1246 AromaticContact CE1-CE1 3.27Å; H94-Y1246 WeakPolarHBondContact CE1-CE1 3.19Å; H94-Y1246 AromaticContact CE1-CE2 3.58Å; H94-Y1246 AromaticContact CE1-CZ 3.03Å; H94-Y1246 PolarHBondContact CE1-OH 3.27Å; H94-Y1246 AromaticContact ND1-CD1 3.79Å; H94-Y1246 AromaticContact ND1-CE1 3.4Å; H94-Y1246 WeakPolarHBondContact ND1-CE1 3.49Å; H94-Y1246 AromaticContact ND1-CZ 3.67Å; H94-Y1246 AromaticContact NE2-CZ 3.9Å; H94-Y1246 PolarHBondContact NE2-OH 2.83Å |
| 95 | L | 81.2 | Confident | 85.7 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 60% | 0.602 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -16.2 | -174.6 | -60.4 | 178.3 | 0 | 0 | 0 | 113.3 | D92 Q97 | D92-L95 HydrophobicContact CB-CB 4.23Å; D92-L95 PolarHBondContact OD1-N 3.11Å; L95-Q97 HydrophobicContact CB-CB 4.33Å; L95-Q97 WeakPolarHBondContact O-CG 3.11Å; L95-Q97 PolarHBondContact O-N 3.01Å; L95-Q97 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 79.6 | Confident | 85.2 | Confident | 107 Ų | 107 | 56 Ų | 56 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | trans | 52.4 | 28.9 | -171.9 | -63.2 | -85.4 | 0 | 0 | 0 | 113.6 | V91 D92 E1248 | V91-F96 VanDerWaalsContact CG1-CA 3.44Å; V91-F96 HydrophobicContact CG1-CB 4.39Å; D92-F96 VanDerWaalsContact O-CA 3.22Å; D92-F96 WeakPolarHBondContact O-CA 3.42Å; D92-F96 PolarHBondContact O-N 2.71Å; F96-E1248 HydrophobicContact CZ-CG 4.27Å; F96-E1248 VanDerWaalsContact CZ-OE1 3.26Å; F96-E1248 WeakPolarHBondContact CZ-OE1 3.3Å | ||
| 97 | Q | 78.9 | Confident | 84.8 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -116.4 | 153.6 | 177.8 | -70.9 | 175.5 | 27.2 | 0 | 0 | 111.3 | V91 D92 L95 L99 | V91-Q97 WeakPolarHBondContact CA-O 3.27Å; D92-Q97 PolarHBondContact N-O 3.18Å; L95-Q97 HydrophobicContact CB-CB 4.33Å; L95-Q97 WeakPolarHBondContact O-CG 3.11Å; L95-Q97 PolarHBondContact O-N 3.01Å; L95-Q97 VanDerWaalsContact O-N 3.11Å; Q97-L99 PolarHBondContact O-N 3.41Å |
| 98 | P | 77.8 | Confident | 84.5 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -57.7 | 132.7 | 176.5 | -24.7 | 34.5 | 0 | 0 | 0 | 112.7 | F90 V91 F100 | F90-P98 WeakPolarHBondContact O-CA 3.2Å; V91-P98 HydrophobicContact CG2-CG 4.39Å; P98-F100 PolarHBondContact O-N 3.32Å; P98-F100 VanDerWaalsContact O-N 3.16Å |
| 99 | L | 79.2 | Confident | 84.7 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -73.9 | 99.1 | -176 | -78.7 | 156.3 | 0 | 0 | 0 | 113.2 | L50 L52 Y55 H64 F90 D92 Q97 E101 | L50-L99 HydrophobicContact CB-CD1 4.36Å; L52-L99 HydrophobicContact CD1-CD2 4.11Å; Y55-L99 HydrophobicContact CD1-CB 4.07Å; Y55-L99 HydrophobicContact CD1-CD1 4.5Å; Y55-L99 HydrophobicContact CD1-CD2 4.45Å; Y55-L99 HydrophobicContact CD2-CB 3.95Å; Y55-L99 HydrophobicContact CD2-CD1 3.69Å; Y55-L99 HydrophobicContact CD2-CG 4.39Å; Y55-L99 HydrophobicContact CE1-CB 3.96Å; Y55-L99 HydrophobicContact CE2-CB 3.89Å; Y55-L99 HydrophobicContact CE2-CD1 4.39Å; Y55-L99 HydrophobicContact CG-CB 4.05Å; Y55-L99 HydrophobicContact CG-CD1 3.76Å; Y55-L99 HydrophobicContact CG-CD2 4.41Å; Y55-L99 HydrophobicContact CG-CG 4.3Å; Y55-L99 PolarHBondContact OH-O 3.09Å; H64-L99 PolarHBondContact CE1-O 2.82Å; H64-L99 VanDerWaalsContact CE1-O 3.28Å; H64-L99 PolarHBondContact NE2-O 3.03Å; F90-L99 HydrophobicContact CB-CD1 4.26Å; F90-L99 PolarHBondContact O-N 3.32Å; F90-L99 VanDerWaalsContact O-N 3.14Å; D92-L99 HydrophobicContact CB-CD1 4.45Å; D92-L99 HydrophobicContact CB-CD2 3.67Å; D92-L99 HydrophobicContact CB-CG 3.85Å; D92-L99 VanDerWaalsContact OD2-CD2 3.32Å; D92-L99 WeakPolarHBondContact OD2-CD2 3.31Å; Q97-L99 PolarHBondContact O-N 3.41Å; L99-E101 PolarHBondContact O-N 3.32Å |
| 100 | F | 73.5 | Confident | 85 | Confident | 155 Ų | 155 | 59.7 Ų | 59.7 | 68% | 0.68 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 54.6 | 34.4 | 169.1 | -49.4 | -75.9 | 0 | 0 | 0 | 117.2 | L52 Y55 P98 | L52-F100 HydrophobicContact CD1-CE2 3.33Å; L52-F100 HydrophobicContact CD1-CZ 3.76Å; Y55-F100 HydrophobicContact CD1-CD2 4.14Å; Y55-F100 AromaticContact CE1-CD2 3.85Å; Y55-F100 HydrophobicContact CE1-CD2 3.85Å; P98-F100 PolarHBondContact O-N 3.32Å; P98-F100 VanDerWaalsContact O-N 3.16Å |
| 101 | E | 80.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 62 Ų | 62 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | trans | -123 | 116.9 | 172.8 | 174.5 | 70.9 | -110.1 | 0 | 0 | 111.3 | H64 L99 R103 | H64-E101 WeakPolarHBondContact CD2-CB 3.36Å; H64-E101 WeakPolarHBondContact NE2-CB 3.4Å; L99-E101 PolarHBondContact O-N 3.32Å; E101-R103 VanDerWaalsContact CG-O 3.28Å; E101-R103 WeakPolarHBondContact CG-O 3.26Å; E101-R103 WeakPolarHBondContact OE1-CB 3.35Å; E101-R103 PolarHBondContact OE1-N 2.64Å; E101-R103 IonicContact OE1-NE 3.47Å; E101-R103 PolarHBondContact OE1-NE 3.25Å | ||
| 102 | P | 78.9 | Confident | 85.5 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 81% | 0.805 | 33% | 0.333 | S | S | * | . | trans | -76.3 | -23.4 | 179.6 | 29.9 | -35.1 | 0 | 0 | 0 | 113 | ||||
| 103 | R | 87.9 | Confident | 85.8 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -88 | 135.1 | -179.2 | -60.9 | -176.5 | -65.2 | 157.8 | 1.8 | 110.9 | E101 E107 R108 D111 | E101-R103 VanDerWaalsContact CG-O 3.28Å; E101-R103 WeakPolarHBondContact CG-O 3.26Å; E101-R103 WeakPolarHBondContact OE1-CB 3.35Å; E101-R103 PolarHBondContact OE1-N 2.64Å; E101-R103 IonicContact OE1-NE 3.47Å; E101-R103 PolarHBondContact OE1-NE 3.25Å; R103-E107 HydrophobicContact CB-CB 4.36Å; R103-R108 HydrophobicContact CB-CB 4.49Å; R103-D111 IonicContact CZ-OD2 3.43Å; R103-D111 IonicContact NH1-OD1 3.83Å; R103-D111 IonicContact NH1-OD2 2.81Å; R103-D111 PolarHBondContact NH1-OD2 3.09Å; R103-D111 IonicContact NH2-OD2 3.31Å; R103-D111 PolarHBondContact NH2-OD2 2.97Å; R103-D111 VanDerWaalsContact NH2-OD2 3.15Å |
| 104 | T | 86.2 | Confident | 86.2 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | trans | -62.4 | 154.4 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | A106 E107 R108 | T104-A106 PolarHBondContact O-N 2.71Å; T104-A106 VanDerWaalsContact O-N 3.14Å; T104-E107 PolarHBondContact N-OE2 3.24Å; T104-E107 PolarHBondContact O-N 2.78Å; T104-E107 VanDerWaalsContact OG1-CD 3.25Å; T104-E107 VanDerWaalsContact OG1-CG 3.25Å; T104-E107 WeakPolarHBondContact OG1-CG 3.42Å; T104-E107 PolarHBondContact OG1-OE2 3.19Å; T104-R108 WeakPolarHBondContact O-CG 2.94Å; T104-R108 PolarHBondContact O-N 2.84Å | ||
| 105 | Y | 90.6 | Very high | 86.6 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -49.6 | -41.9 | 175.5 | 179.4 | -96.4 | 0 | 0 | 0 | 112.5 | G15 P17 Q87 C88 D89 E107 R108 C109 F169 | G15-Y105 PolarHBondContact N-OH 3.21Å; G15-Y105 VanDerWaalsContact O-CE1 3.26Å; G15-Y105 WeakPolarHBondContact O-CE1 3.35Å; G15-Y105 PolarHBondContact O-OH 3.23Å; P17-Y105 HydrophobicContact CB-CD1 3.84Å; P17-Y105 HydrophobicContact CB-CE1 4.21Å; P17-Y105 HydrophobicContact CB-CG 4.07Å; P17-Y105 HydrophobicContact CG-CD1 3.67Å; P17-Y105 HydrophobicContact CG-CE1 4.24Å; P17-Y105 HydrophobicContact CG-CG 4.2Å; Q87-Y105 HydrophobicContact CB-CE2 4.15Å; Q87-Y105 WeakPolarHBondContact O-CE2 3.31Å; Q87-Y105 PolarHBondContact O-OH 3.38Å; C88-Y105 WeakPolarHBondContact O-CD2 3.36Å; D89-Y105 HydrophobicContact CB-CD2 3.96Å; Y105-E107 VanDerWaalsContact C-N 3.28Å; Y105-E107 PolarHBondContact O-N 3.05Å; Y105-R108 PolarHBondContact O-N 2.99Å; Y105-C109 HydrophobicContact CD1-CB 4.16Å; Y105-C109 HydrophobicContact CD2-CB 4.2Å; Y105-C109 HydrophobicContact CE1-CB 3.78Å; Y105-C109 HydrophobicContact CE2-CB 3.83Å; Y105-C109 HydrophobicContact CG-CB 4.37Å; Y105-C109 WeakPolarHBondContact O-CB 3.35Å; Y105-C109 PolarHBondContact O-N 2.92Å; Y105-C109 PolarHBondContact O-SG 3.46Å; Y105-F169 HydrophobicContact CD1-CE2 4.02Å; Y105-F169 HydrophobicContact CD1-CZ 4.29Å; Y105-F169 AromaticContact CE1-CE2 3.92Å; Y105-F169 HydrophobicContact CE1-CE2 3.92Å; Y105-F169 AromaticContact CE1-CZ 3.71Å; Y105-F169 HydrophobicContact CE1-CZ 3.71Å |
| 106 | A | 88.2 | Confident | 87.1 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67 | -25.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | T104 F169 H172 | T104-A106 PolarHBondContact O-N 2.71Å; T104-A106 VanDerWaalsContact O-N 3.14Å; A106-F169 HydrophobicContact CB-CE2 4.49Å; A106-H172 PolarHBondContact O-NE2 3.49Å |
| 107 | E | 87.4 | Confident | 87.6 | Confident | 118 Ų | 118 | 66 Ų | 66 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -82.6 | -35.8 | 177.4 | -71.9 | 167.5 | 141.7 | 0 | 0 | 112.1 | R103 T104 Y105 | R103-E107 HydrophobicContact CB-CB 4.36Å; T104-E107 PolarHBondContact N-OE2 3.24Å; T104-E107 PolarHBondContact O-N 2.78Å; T104-E107 VanDerWaalsContact OG1-CD 3.25Å; T104-E107 VanDerWaalsContact OG1-CG 3.25Å; T104-E107 WeakPolarHBondContact OG1-CG 3.42Å; T104-E107 PolarHBondContact OG1-OE2 3.19Å; Y105-E107 VanDerWaalsContact C-N 3.28Å; Y105-E107 PolarHBondContact O-N 3.05Å |
| 108 | R | 91.3 | Very high | 88.2 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -98.3 | -29.3 | -172.9 | 69 | -173.9 | 173.6 | 69.6 | -1.4 | 115.2 | H64 C88 D89 R103 T104 Y105 L110 D111 | H64-R108 PolarHBondContact O-NH1 2.91Å; C88-R108 PolarHBondContact O-NH1 3.23Å; C88-R108 PolarHBondContact O-NH2 2.64Å; D89-R108 IonicContact OD1-CZ 3.15Å; D89-R108 IonicContact OD1-NH2 2.75Å; D89-R108 PolarHBondContact OD1-NH2 2.87Å; R103-R108 HydrophobicContact CB-CB 4.49Å; T104-R108 WeakPolarHBondContact O-CG 2.94Å; T104-R108 PolarHBondContact O-N 2.84Å; Y105-R108 PolarHBondContact O-N 2.99Å; R108-L110 PolarHBondContact O-N 2.77Å; R108-D111 VanDerWaalsContact O-CB 3.32Å; R108-D111 WeakPolarHBondContact O-CB 3.36Å; R108-D111 PolarHBondContact O-N 3.31Å |
| 109 | C | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.8 | -172.1 | 69 | 0 | 0 | 0 | 0 | 113.6 | V14 Q87 Y105 | V14-C109 HydrophobicContact CG1-CB 4.12Å; V14-C109 VanDerWaalsContact CG1-O 3.28Å; V14-C109 WeakPolarHBondContact CG1-O 3.24Å; Q87-C109 HydrophobicContact CB-CB 3.86Å; Q87-C109 HydrophobicContact CG-CB 4.19Å; Q87-C109 WeakPolarHBondContact CG-O 3.33Å; Y105-C109 HydrophobicContact CD1-CB 4.16Å; Y105-C109 HydrophobicContact CD2-CB 4.2Å; Y105-C109 HydrophobicContact CE1-CB 3.78Å; Y105-C109 HydrophobicContact CE2-CB 3.83Å; Y105-C109 HydrophobicContact CG-CB 4.37Å; Y105-C109 WeakPolarHBondContact O-CB 3.35Å; Y105-C109 PolarHBondContact O-N 2.92Å; Y105-C109 PolarHBondContact O-SG 3.46Å |
| 110 | L | 95.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9 | 178.3 | -54.7 | 178.9 | 0 | 0 | 0 | 113.4 | V14 R108 F112 F150 V173 R176 L177 | V14-L110 HydrophobicContact CG1-CD2 4.42Å; V14-L110 HydrophobicContact CG2-CD2 4.41Å; R108-L110 PolarHBondContact O-N 2.77Å; L110-F112 PolarHBondContact O-N 3.48Å; L110-F150 HydrophobicContact CD2-CD1 4.38Å; L110-F150 HydrophobicContact CD2-CE1 4.35Å; L110-V173 HydrophobicContact CD1-CB 4.47Å; L110-V173 HydrophobicContact CD1-CG2 4.27Å; L110-V173 HydrophobicContact CD2-CG1 3.98Å; L110-V173 HydrophobicContact CD2-CG2 4.19Å; L110-R176 HydrophobicContact CD1-CB 3.76Å; L110-R176 HydrophobicContact CD1-CG 3.72Å; L110-L177 HydrophobicContact CB-CD2 4.44Å; L110-L177 HydrophobicContact CD2-CD1 4.16Å; L110-L177 HydrophobicContact CD2-CD2 4.31Å; L110-L177 HydrophobicContact CD2-CG 4.26Å |
| 111 | D | 94.2 | Very high | 91 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | trans | -61.6 | 117.4 | 173.4 | -78.7 | -17.6 | 0 | 0 | 0 | 109.7 | R103 R108 | R103-D111 IonicContact CZ-OD2 3.43Å; R103-D111 IonicContact NH1-OD1 3.83Å; R103-D111 IonicContact NH1-OD2 2.81Å; R103-D111 PolarHBondContact NH1-OD2 3.09Å; R103-D111 IonicContact NH2-OD2 3.31Å; R103-D111 PolarHBondContact NH2-OD2 2.97Å; R103-D111 VanDerWaalsContact NH2-OD2 3.15Å; R108-D111 VanDerWaalsContact O-CB 3.32Å; R108-D111 WeakPolarHBondContact O-CB 3.36Å; R108-D111 PolarHBondContact O-N 3.31Å | ||
| 112 | F | 92 | Very high | 91.7 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 39% | 0.386 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.7 | -7 | 179.8 | 66.4 | -92.7 | 0 | 0 | 0 | 113.4 | L110 Y146 V147 F150 L180 F182 | L110-F112 PolarHBondContact O-N 3.48Å; F112-Y146 CarbonylContact O-C 3.51Å; F112-Y146 VanDerWaalsContact O-CA 3.3Å; F112-Y146 WeakPolarHBondContact O-CA 3.28Å; F112-V147 HydrophobicContact CB-CB 4.25Å; F112-V147 PolarHBondContact O-N 2.99Å; F112-F150 HydrophobicContact CB-CE2 4.49Å; F112-F150 HydrophobicContact CB-CZ 4.46Å; F112-L180 HydrophobicContact CD1-CD1 4.28Å; F112-L180 HydrophobicContact CE1-CD1 4.44Å; F112-F182 HydrophobicContact CB-CE1 3.79Å; F112-F182 HydrophobicContact CB-CE2 4.24Å; F112-F182 HydrophobicContact CB-CZ 3.34Å; F112-F182 HydrophobicContact CD1-CE2 4.39Å; F112-F182 HydrophobicContact CD1-CZ 4.27Å; F112-F182 HydrophobicContact CD2-CZ 4.13Å; F112-F182 HydrophobicContact CG-CE2 4.18Å; F112-F182 AromaticContact CG-CZ 3.66Å; F112-F182 HydrophobicContact CG-CZ 3.66Å |
| 113 | K | 94 | Very high | 92.5 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 48% | 0.478 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 111.6 | 176.3 | -177.7 | -172.1 | 179.4 | -170.8 | 0 | 107.4 | T144 L145 Y146 | K113-T144 HydrophobicContact CD-CG2 4.16Å; K113-T144 VanDerWaalsContact CE-CG2 3.48Å; K113-T144 HydrophobicContact CG-CG2 3.56Å; K113-L145 WeakPolarHBondContact CA-O 3.49Å; K113-Y146 HydrophobicContact CB-CD1 4.26Å; K113-Y146 HydrophobicContact CB-CE1 4.09Å; K113-Y146 HydrophobicContact CD-CE1 3.98Å; K113-Y146 HydrophobicContact CG-CD1 4.25Å; K113-Y146 HydrophobicContact CG-CE1 3.71Å |
| 114 | I | 93.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.2 | -178.6 | -59.1 | 167.8 | 0 | 0 | 0 | 107.3 | W65 I85 T144 L145 V147 | W65-I114 HydrophobicContact CD2-CG2 4.46Å; W65-I114 HydrophobicContact CZ2-CG2 3.8Å; I85-I114 HydrophobicContact CD1-CD1 3.36Å; I114-T144 CarbonylContact O-C 3.57Å; I114-T144 WeakPolarHBondContact O-CA 3.47Å; I114-L145 HydrophobicContact CB-CB 4.32Å; I114-L145 PolarHBondContact N-O 3.44Å; I114-L145 PolarHBondContact O-N 3.29Å; I114-V147 HydrophobicContact CD1-CG2 4.42Å |
| 115 | T | 91.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.5 | 177.7 | -51.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 116 | L | 92.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.2 | 175.5 | 178.7 | 67.5 | 0 | 0 | 0 | 108.8 | W65 S118 K120 L140 P142 T143 | W65-L116 HydrophobicContact CZ2-CD1 4.06Å; L116-S118 WeakPolarHBondContact CD1-O 3Å; L116-S118 WeakPolarHBondContact CD2-O 3.49Å; L116-S118 WeakPolarHBondContact CG-O 3.17Å; L116-K120 HydrophobicContact CD1-CB 3.94Å; L116-K120 HydrophobicContact CD1-CD 4.25Å; L116-K120 HydrophobicContact CD2-CB 3.88Å; L116-L140 HydrophobicContact CD2-CB 4.27Å; L116-L140 HydrophobicContact CD2-CD2 3.68Å; L116-L140 HydrophobicContact CD2-CG 3.71Å; L116-P142 CarbonylContact O-C 3.53Å; L116-P142 WeakPolarHBondContact O-CA 3.44Å; L116-T143 WeakPolarHBondContact CB-O 3.46Å; L116-T143 PolarHBondContact N-O 3.17Å; L116-T143 PolarHBondContact O-N 3.23Å |
| 117 | H | 89.8 | Confident | 92.8 | Very high | 163 Ų | 163 | 50.5 Ų | 50.5 | 76% | 0.755 | 25% | 0.246 | S | C | * | . | trans | -89.7 | -29.3 | -175 | -66.7 | -72.9 | 0 | 0 | 0 | 113.7 | ||||
| 118 | S | 91.9 | Very high | 93 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 43% | 0.427 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -123.6 | 159.6 | 179.8 | 41.5 | 0 | 0 | 0 | 0 | 109.7 | C61 L116 | C61-S118 PolarHBondContact SG-OG 3.36Å; L116-S118 WeakPolarHBondContact CD1-O 3Å; L116-S118 WeakPolarHBondContact CD2-O 3.49Å; L116-S118 WeakPolarHBondContact CG-O 3.17Å |
| 119 | R | 94.3 | Very high | 93 | Very high | 115 Ų | 115 | 45.6 Ų | 45.6 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | trans | -62.7 | 143.4 | 176 | 68.3 | -176.8 | -175.1 | 178.5 | 5.4 | 109.8 | E58 F139 L140 | E58-R119 IonicContact OE1-CZ 3.67Å; E58-R119 IonicContact OE1-NE 3.9Å; E58-R119 PolarHBondContact OE1-NE 3.06Å; E58-R119 IonicContact OE1-NH2 3.57Å; E58-R119 PolarHBondContact OE1-NH2 3.47Å; E58-R119 IonicContact OE2-NH2 2.87Å; E58-R119 PolarHBondContact OE2-NH2 3.18Å; R119-F139 HydrophobicContact CB-CD1 4.35Å; R119-F139 HydrophobicContact CG-CD1 4Å; R119-F139 HydrophobicContact CG-CE1 4.44Å; R119-L140 CarbonylContact C-O 3.5Å; R119-L140 VanDerWaalsContact CA-O 3.31Å; R119-L140 WeakPolarHBondContact CA-O 3.29Å | ||
| 120 | K | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.5 | 179.5 | -170.5 | 174.2 | 174.7 | 70.4 | 0 | 110.6 | E58 V59 I60 C61 S63 W65 L116 F139 L140 | E58-K120 CarbonylContact O-C 3.53Å; E58-K120 WeakPolarHBondContact O-CA 2.9Å; V59-K120 WeakPolarHBondContact O-CE 3.35Å; V59-K120 PolarHBondContact O-NZ 2.9Å; I60-K120 PolarHBondContact O-NZ 3.05Å; C61-K120 HydrophobicContact CB-CD 4.38Å; C61-K120 HydrophobicContact CB-CG 4.07Å; S63-K120 PolarHBondContact OG-NZ 3.15Å; S63-K120 VanDerWaalsContact OG-NZ 3.11Å; W65-K120 HydrophobicContact CD2-CD 4.49Å; W65-K120 HydrophobicContact CE3-CD 4.26Å; W65-K120 HydrophobicContact CH2-CD 3.43Å; W65-K120 VanDerWaalsContact CH2-CD 3.43Å; W65-K120 HydrophobicContact CZ2-CD 3.66Å; W65-K120 HydrophobicContact CZ3-CD 3.76Å; W65-K120 WeakPolarHBondContact O-CE 2.99Å; W65-K120 PolarHBondContact O-NZ 3.38Å; L116-K120 HydrophobicContact CD1-CB 3.94Å; L116-K120 HydrophobicContact CD1-CD 4.25Å; L116-K120 HydrophobicContact CD2-CB 3.88Å; K120-F139 WeakPolarHBondContact O-CA 3.21Å; K120-L140 PolarHBondContact N-O 3.39Å; K120-L140 PolarHBondContact O-N 3.45Å |
| 121 | L | 97.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.7 | 180 | 178 | 56.6 | 0 | 0 | 0 | 110.5 | E58 V59 Y123 E132 Q137 F139 | E58-L121 HydrophobicContact CB-CB 4.14Å; E58-L121 PolarHBondContact O-N 2.89Å; V59-L121 HydrophobicContact CG2-CB 4.08Å; V59-L121 HydrophobicContact CG2-CD2 3.71Å; V59-L121 HydrophobicContact CG2-CG 3.98Å; L121-Y123 PolarHBondContact O-N 2.99Å; L121-E132 HydrophobicContact CD2-CB 3.85Å; L121-E132 HydrophobicContact CD2-CG 3.91Å; L121-Q137 HydrophobicContact CD1-CB 4Å; L121-Q137 HydrophobicContact CD1-CG 4.32Å; L121-F139 HydrophobicContact CB-CD1 4.12Å; L121-F139 HydrophobicContact CB-CE1 3.89Å; L121-F139 HydrophobicContact CD1-CD1 4.31Å; L121-F139 HydrophobicContact CD1-CE1 4.01Å; L121-F139 HydrophobicContact CD1-CE2 4.38Å; L121-F139 HydrophobicContact CD1-CZ 4.04Å; L121-F139 HydrophobicContact CG-CE1 4.39Å |
| 122 | C | 96.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.095 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 128 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | Y67 W68 G69 Q128 V138 | Y67-C122 HydrophobicContact CD1-CB 3.98Å; Y67-C122 HydrophobicContact CE1-CB 3.97Å; Y67-C122 CarbonylContact O-C 3.56Å; Y67-C122 VanDerWaalsContact O-CA 3.32Å; Y67-C122 WeakPolarHBondContact O-CA 3.16Å; W68-C122 PolarHBondContact O-SG 2.96Å; G69-C122 VanDerWaalsContact CA-SG 3.59Å; G69-C122 PolarHBondContact N-SG 2.9Å; G69-C122 VanDerWaalsContact N-SG 3.41Å; C122-Q128 PolarHBondContact O-NE2 2.97Å; C122-Q128 PolarHBondContact O-OE1 3.46Å; C122-V138 HydrophobicContact CB-CB 3.96Å; C122-V138 WeakPolarHBondContact CB-O 3.34Å; C122-V138 PolarHBondContact N-O 2.68Å |
| 123 | Y | 95.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 134.4 | 171.4 | -178.2 | -102.5 | 0 | 0 | 0 | 110.5 | H46 V59 L66 Y67 W68 L121 C125 K126 | H46-Y123 AromaticContact CE1-CE1 3.85Å; H46-Y123 AromaticContact ND1-CE1 3.45Å; H46-Y123 WeakPolarHBondContact ND1-CE1 3.1Å; H46-Y123 AromaticContact ND1-CZ 3.67Å; H46-Y123 PolarHBondContact ND1-OH 3.36Å; V59-Y123 HydrophobicContact CG1-CD2 3.76Å; V59-Y123 HydrophobicContact CG1-CG 4.41Å; L66-Y123 HydrophobicContact CD1-CD1 3.86Å; L66-Y123 HydrophobicContact CD1-CD2 4.31Å; L66-Y123 HydrophobicContact CD1-CE1 4.09Å; L66-Y123 HydrophobicContact CD1-CG 3.96Å; L66-Y123 HydrophobicContact CD2-CD2 4.14Å; L66-Y123 HydrophobicContact CD2-CG 4.13Å; L66-Y123 HydrophobicContact CG-CG 4.48Å; Y67-Y123 PolarHBondContact O-N 2.8Å; W68-Y123 HydrophobicContact CD2-CD1 4.1Å; W68-Y123 AromaticContact CE2-CD1 3.85Å; W68-Y123 HydrophobicContact CE3-CD1 4.04Å; W68-Y123 AromaticContact CH2-CD1 3.65Å; W68-Y123 HydrophobicContact CH2-CD1 3.65Å; W68-Y123 AromaticContact CH2-CE1 3.55Å; W68-Y123 HydrophobicContact CH2-CE1 3.55Å; W68-Y123 AromaticContact CZ2-CD1 3.64Å; W68-Y123 HydrophobicContact CZ2-CD1 3.64Å; W68-Y123 AromaticContact CZ2-CE1 3.71Å; W68-Y123 HydrophobicContact CZ2-CE1 3.71Å; W68-Y123 AromaticContact CZ3-CD1 3.82Å; W68-Y123 HydrophobicContact CZ3-CD1 3.82Å; W68-Y123 HydrophobicContact CZ3-CE1 4.07Å; L121-Y123 PolarHBondContact O-N 2.99Å; Y123-C125 VanDerWaalsContact CE2-C 3.49Å; Y123-C125 WeakPolarHBondContact CE2-O 3.2Å; Y123-K126 PolarHBondContact OH-N 3.24Å |
| 124 | V | 91.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | trans | -111.8 | -56.2 | 176 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | F135 | V124-F135 HydrophobicContact CB-CD1 4.36Å; V124-F135 HydrophobicContact CG1-CD1 4.16Å | ||
| 125 | C | 90.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -163.1 | 177.4 | -179.1 | 62.4 | 0 | 0 | 0 | 0 | 111 | N43 Y123 E127 Q128 | N43-C125 WeakPolarHBondContact ND2-CB 3.39Å; Y123-C125 VanDerWaalsContact CE2-C 3.49Å; Y123-C125 WeakPolarHBondContact CE2-O 3.2Å; C125-E127 VanDerWaalsContact C-N 3.32Å; C125-E127 VanDerWaalsContact CB-OE2 3.29Å; C125-E127 WeakPolarHBondContact CB-OE2 3.35Å; C125-E127 PolarHBondContact O-N 2.9Å; C125-E127 PolarHBondContact SG-OE2 3.2Å; C125-Q128 WeakPolarHBondContact O-CB 3.47Å; C125-Q128 PolarHBondContact O-N 3.1Å | ||
| 126 | K | 88.6 | Confident | 92.4 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -68.6 | -32 | -177.2 | 64.8 | 172.4 | -174.4 | 168.5 | 0 | 112.6 | L47 Y123 Q128 L129 | L47-K126 HydrophobicContact CB-CB 4.36Å; L47-K126 HydrophobicContact CD1-CB 3.66Å; L47-K126 HydrophobicContact CD1-CD 4.16Å; L47-K126 HydrophobicContact CD1-CG 4.44Å; L47-K126 HydrophobicContact CD2-CD 4.13Å; L47-K126 HydrophobicContact CG-CB 3.65Å; L47-K126 HydrophobicContact CG-CD 3.77Å; L47-K126 HydrophobicContact CG-CG 4.32Å; Y123-K126 PolarHBondContact OH-N 3.24Å; K126-Q128 PolarHBondContact O-N 3.23Å; K126-Q128 VanDerWaalsContact O-N 3.14Å; K126-L129 PolarHBondContact O-N 3.06Å |
| 127 | E | 89.4 | Confident | 92.5 | Very high | 86 Ų | 86 | 60 Ų | 60 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -67.8 | -11.3 | -179.1 | -60.5 | 74.4 | -160.3 | 0 | 0 | 113.1 | N43 C125 F135 | N43-E127 PolarHBondContact ND2-OE2 3.43Å; C125-E127 VanDerWaalsContact C-N 3.32Å; C125-E127 VanDerWaalsContact CB-OE2 3.29Å; C125-E127 WeakPolarHBondContact CB-OE2 3.35Å; C125-E127 PolarHBondContact O-N 2.9Å; C125-E127 PolarHBondContact SG-OE2 3.2Å; E127-F135 HydrophobicContact CB-CZ 4.12Å; E127-F135 WeakPolarHBondContact O-CE2 3.43Å |
| 128 | Q | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -72.3 | -30.8 | 175.3 | -179.4 | -176.1 | 9.2 | 0 | 0 | 112.9 | C122 C125 K126 G130 H131 E132 F135 | C122-Q128 PolarHBondContact O-NE2 2.97Å; C122-Q128 PolarHBondContact O-OE1 3.46Å; C125-Q128 WeakPolarHBondContact O-CB 3.47Å; C125-Q128 PolarHBondContact O-N 3.1Å; K126-Q128 PolarHBondContact O-N 3.23Å; K126-Q128 VanDerWaalsContact O-N 3.14Å; Q128-G130 PolarHBondContact O-N 2.9Å; Q128-H131 CarbonylContact O-C 3.57Å; Q128-H131 VanDerWaalsContact O-C 3.29Å; Q128-H131 PolarHBondContact O-N 3.28Å; Q128-E132 PolarHBondContact O-N 3.46Å; Q128-F135 HydrophobicContact CB-CD1 4.45Å; Q128-F135 HydrophobicContact CB-CD2 3.92Å; Q128-F135 HydrophobicContact CB-CE2 4.15Å; Q128-F135 HydrophobicContact CB-CG 4.08Å; Q128-F135 HydrophobicContact CG-CB 4.06Å; Q128-F135 HydrophobicContact CG-CD2 3.99Å; Q128-F135 HydrophobicContact CG-CG 4.02Å |
| 129 | L | 90.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 55.3 Ų | 55.3 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 123.9 | -173.6 | -58.2 | 177.5 | 0 | 0 | 0 | 109.4 | L50 D54 V59 I60 K126 H131 | L50-L129 HydrophobicContact CD2-CD1 3.55Å; D54-L129 HydrophobicContact CB-CD1 4.42Å; V59-L129 HydrophobicContact CB-CD2 3.9Å; V59-L129 HydrophobicContact CG1-CD2 3.96Å; V59-L129 HydrophobicContact CG2-CD2 4.17Å; I60-L129 HydrophobicContact CD1-CD2 4.49Å; I60-L129 HydrophobicContact CG1-CD2 4.32Å; K126-L129 PolarHBondContact O-N 3.06Å; L129-H131 VanDerWaalsContact C-N 3.29Å; L129-H131 PolarHBondContact O-N 3.34Å |
| 130 | G | 88.8 | Confident | 92.9 | Very high | 49 Ų | 49 | 50 Ų | 50 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -11.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q128 E132 | Q128-G130 PolarHBondContact O-N 2.9Å; G130-E132 PolarHBondContact N-OE1 3.42Å |
| 131 | H | 92 | Very high | 92.8 | Very high | 128 Ų | 128 | 55.8 Ų | 55.8 | 59% | 0.593 | 32% | 0.316 | S | S | * | . | trans | -131.2 | 40.4 | 178.5 | -62.8 | 143.2 | 0 | 0 | 0 | 112.1 | Q128 L129 S133 A134 | Q128-H131 CarbonylContact O-C 3.57Å; Q128-H131 VanDerWaalsContact O-C 3.29Å; Q128-H131 PolarHBondContact O-N 3.28Å; L129-H131 VanDerWaalsContact C-N 3.29Å; L129-H131 PolarHBondContact O-N 3.34Å; H131-S133 PolarHBondContact O-N 3.01Å; H131-A134 HydrophobicContact CB-CB 4.48Å; H131-A134 WeakPolarHBondContact O-CB 3.3Å; H131-A134 PolarHBondContact O-N 3.32Å | ||
| 132 | E | 93.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 59 Ų | 59 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -61 | -25 | -170.3 | -64.3 | 78.2 | -174.6 | 0 | 0 | 113.5 | V59 L121 Q128 G130 A134 F135 Q137 | V59-E132 HydrophobicContact CG2-CG 3.9Å; L121-E132 HydrophobicContact CD2-CB 3.85Å; L121-E132 HydrophobicContact CD2-CG 3.91Å; Q128-E132 PolarHBondContact O-N 3.46Å; G130-E132 PolarHBondContact N-OE1 3.42Å; E132-A134 VanDerWaalsContact C-N 3.29Å; E132-A134 PolarHBondContact O-N 3.29Å; E132-F135 PolarHBondContact O-N 3.05Å; E132-Q137 PolarHBondContact O-NE2 2.92Å |
| 133 | S | 92.1 | Very high | 92.4 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -71.1 | -20.4 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 114 | H131 F135 | H131-S133 PolarHBondContact O-N 3.01Å; S133-F135 VanDerWaalsContact C-N 3.3Å |
| 134 | A | 94.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -81.1 | -10.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H131 E132 | H131-A134 HydrophobicContact CB-CB 4.48Å; H131-A134 WeakPolarHBondContact O-CB 3.3Å; H131-A134 PolarHBondContact O-N 3.32Å; E132-A134 VanDerWaalsContact C-N 3.29Å; E132-A134 PolarHBondContact O-N 3.29Å |
| 135 | F | 92.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 61.1 Ų | 61.1 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -116.7 | 157.1 | -175.6 | -68.3 | -96.1 | 0 | 0 | 0 | 112 | V124 E127 Q128 E132 S133 Q137 | V124-F135 HydrophobicContact CB-CD1 4.36Å; V124-F135 HydrophobicContact CG1-CD1 4.16Å; E127-F135 HydrophobicContact CB-CZ 4.12Å; E127-F135 WeakPolarHBondContact O-CE2 3.43Å; Q128-F135 HydrophobicContact CB-CD1 4.45Å; Q128-F135 HydrophobicContact CB-CD2 3.92Å; Q128-F135 HydrophobicContact CB-CE2 4.15Å; Q128-F135 HydrophobicContact CB-CG 4.08Å; Q128-F135 HydrophobicContact CG-CB 4.06Å; Q128-F135 HydrophobicContact CG-CD2 3.99Å; Q128-F135 HydrophobicContact CG-CG 4.02Å; E132-F135 PolarHBondContact O-N 3.05Å; S133-F135 VanDerWaalsContact C-N 3.3Å; F135-Q137 WeakPolarHBondContact O-CG 3.42Å; F135-Q137 PolarHBondContact O-N 3.47Å |
| 136 | P | 91.5 | Very high | 92.4 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | trans | -57.9 | 122.4 | 177.3 | -25.6 | 35.1 | 0 | 0 | 0 | 112.8 | V138 | P136-V138 PolarHBondContact O-N 3.47Š| ||
| 137 | Q | 93.6 | Very high | 92.7 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | trans | -94.3 | 92.9 | -175.7 | -60.9 | -171.2 | -10.7 | 0 | 0 | 112.6 | L121 E132 F135 F139 | L121-Q137 HydrophobicContact CD1-CB 4Å; L121-Q137 HydrophobicContact CD1-CG 4.32Å; E132-Q137 PolarHBondContact O-NE2 2.92Å; F135-Q137 WeakPolarHBondContact O-CG 3.42Å; F135-Q137 PolarHBondContact O-N 3.47Å; Q137-F139 HydrophobicContact CB-CE2 3.74Å; Q137-F139 HydrophobicContact CB-CZ 4.19Å | ||
| 138 | V | 94.5 | Very high | 92.9 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | trans | -108.6 | 115.6 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | C122 P136 | C122-V138 HydrophobicContact CB-CB 3.96Å; C122-V138 WeakPolarHBondContact CB-O 3.34Å; C122-V138 PolarHBondContact N-O 2.68Å; P136-V138 PolarHBondContact O-N 3.47Å | ||
| 139 | F | 95.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.5 | -177 | -64.4 | -88.2 | 0 | 0 | 0 | 112.6 | R119 K120 L121 Q137 | R119-F139 HydrophobicContact CB-CD1 4.35Å; R119-F139 HydrophobicContact CG-CD1 4Å; R119-F139 HydrophobicContact CG-CE1 4.44Å; K120-F139 WeakPolarHBondContact O-CA 3.21Å; L121-F139 HydrophobicContact CB-CD1 4.12Å; L121-F139 HydrophobicContact CB-CE1 3.89Å; L121-F139 HydrophobicContact CD1-CD1 4.31Å; L121-F139 HydrophobicContact CD1-CE1 4.01Å; L121-F139 HydrophobicContact CD1-CE2 4.38Å; L121-F139 HydrophobicContact CD1-CZ 4.04Å; L121-F139 HydrophobicContact CG-CE1 4.39Å; Q137-F139 HydrophobicContact CB-CE2 3.74Å; Q137-F139 HydrophobicContact CB-CZ 4.19Å |
| 140 | L | 95.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115 | 158.4 | 177 | 65.3 | 0 | 0 | 0 | 108.4 | W65 Y67 L116 R119 K120 T143 L145 | W65-L140 HydrophobicContact CH2-CD2 3.95Å; W65-L140 HydrophobicContact CZ3-CD2 4.42Å; Y67-L140 HydrophobicContact CD1-CB 3.71Å; Y67-L140 HydrophobicContact CD2-CD2 4.44Å; Y67-L140 HydrophobicContact CE1-CB 3.68Å; Y67-L140 HydrophobicContact CG-CB 4.18Å; Y67-L140 HydrophobicContact CG-CD2 4.41Å; L116-L140 HydrophobicContact CD2-CB 4.27Å; L116-L140 HydrophobicContact CD2-CD2 3.68Å; L116-L140 HydrophobicContact CD2-CG 3.71Å; R119-L140 CarbonylContact C-O 3.5Å; R119-L140 VanDerWaalsContact CA-O 3.31Å; R119-L140 WeakPolarHBondContact CA-O 3.29Å; K120-L140 PolarHBondContact N-O 3.39Å; K120-L140 PolarHBondContact O-N 3.45Å; L140-T143 HydrophobicContact CD1-CG2 4.27Å; L140-L145 HydrophobicContact CD1-CD2 4.21Å; L140-L145 HydrophobicContact CD2-CD1 3.63Å; L140-L145 HydrophobicContact CD2-CD2 4.12Å; L140-L145 HydrophobicContact CD2-CG 4.12Å |
| 141 | E | 94.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 56.4 Ų | 56.4 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | trans | -65.4 | 152.3 | 177.2 | -63.1 | -56.1 | 147.5 | 0 | 0 | 112.5 | T143 | E141-T143 WeakPolarHBondContact O-CG2 3.43Å; E141-T143 PolarHBondContact O-N 3.05Å; E141-T143 VanDerWaalsContact O-N 3.15Å | ||
| 142 | P | 93.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -47.8 | 121.1 | 174.5 | -26.5 | 32.8 | 0 | 0 | 0 | 111.7 | L116 | L116-P142 CarbonylContact O-C 3.53Å; L116-P142 WeakPolarHBondContact O-CA 3.44Å |
| 143 | T | 91.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 164.3 | -173.8 | -162.5 | 0 | 0 | 0 | 0 | 111.4 | L116 L140 E141 L145 | L116-T143 WeakPolarHBondContact CB-O 3.46Å; L116-T143 PolarHBondContact N-O 3.17Å; L116-T143 PolarHBondContact O-N 3.23Å; L140-T143 HydrophobicContact CD1-CG2 4.27Å; E141-T143 WeakPolarHBondContact O-CG2 3.43Å; E141-T143 PolarHBondContact O-N 3.05Å; E141-T143 VanDerWaalsContact O-N 3.15Å; T143-L145 HydrophobicContact CG2-CD2 3.75Å; T143-L145 HydrophobicContact CG2-CG 3.99Å |
| 144 | T | 92.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 107.4 | 164.1 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | K113 I114 Y146 | K113-T144 HydrophobicContact CD-CG2 4.16Å; K113-T144 VanDerWaalsContact CE-CG2 3.48Å; K113-T144 HydrophobicContact CG-CG2 3.56Å; I114-T144 CarbonylContact O-C 3.57Å; I114-T144 WeakPolarHBondContact O-CA 3.47Å; T144-Y146 HydrophobicContact CG2-CD2 4.31Å; T144-Y146 HydrophobicContact CG2-CE1 4.49Å; T144-Y146 HydrophobicContact CG2-CE2 3.65Å |
| 145 | L | 91.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.1 | 173.4 | -68.3 | -179.6 | 0 | 0 | 0 | 110.4 | W65 I85 K113 I114 L140 T143 | W65-L145 HydrophobicContact CH2-CD1 3.84Å; W65-L145 HydrophobicContact CZ3-CD1 4.09Å; I85-L145 HydrophobicContact CG2-CD1 4.31Å; K113-L145 WeakPolarHBondContact CA-O 3.49Å; I114-L145 HydrophobicContact CB-CB 4.32Å; I114-L145 PolarHBondContact N-O 3.44Å; I114-L145 PolarHBondContact O-N 3.29Å; L140-L145 HydrophobicContact CD1-CD2 4.21Å; L140-L145 HydrophobicContact CD2-CD1 3.63Å; L140-L145 HydrophobicContact CD2-CD2 4.12Å; L140-L145 HydrophobicContact CD2-CG 4.12Å; T143-L145 HydrophobicContact CG2-CD2 3.75Å; T143-L145 HydrophobicContact CG2-CG 3.99Å |
| 146 | Y | 93.7 | Very high | 94.9 | Very high | 124 Ų | 124 | 37.2 Ų | 37.2 | 49% | 0.486 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.7 | 169.1 | -68 | -87.2 | 0 | 0 | 0 | 109.8 | T10 F112 K113 T144 | T10-Y146 VanDerWaalsContact CB-O 3.26Å; T10-Y146 WeakPolarHBondContact CB-O 3.21Å; T10-Y146 PolarHBondContact OG1-O 3.03Å; F112-Y146 CarbonylContact O-C 3.51Å; F112-Y146 VanDerWaalsContact O-CA 3.3Å; F112-Y146 WeakPolarHBondContact O-CA 3.28Å; K113-Y146 HydrophobicContact CB-CD1 4.26Å; K113-Y146 HydrophobicContact CB-CE1 4.09Å; K113-Y146 HydrophobicContact CD-CE1 3.98Å; K113-Y146 HydrophobicContact CG-CD1 4.25Å; K113-Y146 HydrophobicContact CG-CE1 3.71Å; T144-Y146 HydrophobicContact CG2-CD2 4.31Å; T144-Y146 HydrophobicContact CG2-CE1 4.49Å; T144-Y146 HydrophobicContact CG2-CE2 3.65Å |
| 147 | V | 95 | Very high | 95 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -76.6 | 126.3 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | I85 F112 I114 V149 F150 F182 K245 | I85-V147 HydrophobicContact CD1-CG2 4.24Å; F112-V147 HydrophobicContact CB-CB 4.25Å; F112-V147 PolarHBondContact O-N 2.99Å; I114-V147 HydrophobicContact CD1-CG2 4.42Å; V147-V149 WeakPolarHBondContact CG1-O 3.4Å; V147-F150 HydrophobicContact CB-CE2 4.34Å; V147-F150 HydrophobicContact CB-CZ 4.19Å; V147-F150 HydrophobicContact CG1-CD1 4.43Å; V147-F150 HydrophobicContact CG1-CD2 4.06Å; V147-F150 HydrophobicContact CG1-CE1 4.13Å; V147-F150 HydrophobicContact CG1-CE2 3.74Å; V147-F150 HydrophobicContact CG1-CG 4.41Å; V147-F150 HydrophobicContact CG1-CZ 3.78Å; V147-F150 HydrophobicContact CG2-CZ 4.48Å; V147-F182 VanDerWaalsContact O-CE1 3.26Å; V147-F182 WeakPolarHBondContact O-CE1 3.4Å; V147-K245 PolarHBondContact O-NZ 2.92Å | ||
| 148 | D | 94 | Very high | 94.9 | Very high | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | trans | -89.8 | -37.6 | 178.3 | -69.1 | -56.2 | 0 | 0 | 0 | 111.1 | V9 T10 K245 R246 | V9-D148 WeakPolarHBondContact CA-OD2 3.2Å; V9-D148 HydrophobicContact CG1-CB 3.89Å; T10-D148 PolarHBondContact N-OD2 2.89Å; T10-D148 PolarHBondContact O-N 3.46Å; D148-K245 WeakPolarHBondContact O-CD 3.36Å; D148-K245 PolarHBondContact O-NZ 3.26Å; D148-R246 IonicContact OD2-NH1 3.45Å; D148-R246 PolarHBondContact OD2-NH1 2.96Å | ||
| 149 | V | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 147.6 | -175.6 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | V9 T10 I11 S12 V147 P183 A238 F241 | V9-V149 HydrophobicContact CG1-CG1 4.3Å; T10-V149 PolarHBondContact O-N 3.26Å; I11-V149 WeakPolarHBondContact CA-O 3.39Å; I11-V149 HydrophobicContact CB-CG1 4.22Å; I11-V149 HydrophobicContact CG1-CG1 3.7Å; I11-V149 HydrophobicContact CG2-CG1 4.28Å; S12-V149 PolarHBondContact N-O 3.35Å; V147-V149 WeakPolarHBondContact CG1-O 3.4Å; V149-P183 HydrophobicContact CB-CG 4.36Å; V149-P183 HydrophobicContact CG2-CB 4.49Å; V149-P183 HydrophobicContact CG2-CG 4.2Å; V149-A238 HydrophobicContact CG1-CB 3.96Å; V149-A238 WeakPolarHBondContact CG1-O 3.35Å; V149-A238 HydrophobicContact CG2-CB 4.32Å; V149-F241 HydrophobicContact CG2-CB 4.07Å |
| 150 | F | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.7 | 172.7 | -71.9 | -90.9 | 0 | 0 | 0 | 111.1 | S12 V14 L110 F112 V147 L177 F182 P183 V184 V185 | S12-F150 CarbonylContact O-C 3.53Å; S12-F150 VanDerWaalsContact O-CA 3.31Å; S12-F150 WeakPolarHBondContact O-CA 3.47Å; V14-F150 HydrophobicContact CG1-CD1 4.09Å; V14-F150 HydrophobicContact CG1-CE1 4.44Å; L110-F150 HydrophobicContact CD2-CD1 4.38Å; L110-F150 HydrophobicContact CD2-CE1 4.35Å; F112-F150 HydrophobicContact CB-CE2 4.49Å; F112-F150 HydrophobicContact CB-CZ 4.46Å; V147-F150 HydrophobicContact CB-CE2 4.34Å; V147-F150 HydrophobicContact CB-CZ 4.19Å; V147-F150 HydrophobicContact CG1-CD1 4.43Å; V147-F150 HydrophobicContact CG1-CD2 4.06Å; V147-F150 HydrophobicContact CG1-CE1 4.13Å; V147-F150 HydrophobicContact CG1-CE2 3.74Å; V147-F150 HydrophobicContact CG1-CG 4.41Å; V147-F150 HydrophobicContact CG1-CZ 3.78Å; V147-F150 HydrophobicContact CG2-CZ 4.48Å; F150-L177 HydrophobicContact CB-CD1 3.71Å; F150-L177 HydrophobicContact CD1-CD1 4.48Å; F150-L177 HydrophobicContact CD2-CD1 3.76Å; F150-L177 HydrophobicContact CD2-CD2 3.54Å; F150-L177 HydrophobicContact CD2-CG 4.32Å; F150-L177 HydrophobicContact CE2-CD2 3.51Å; F150-L177 HydrophobicContact CG-CD1 3.73Å; F150-L177 HydrophobicContact CG-CD2 4.21Å; F150-L177 HydrophobicContact CZ-CD2 4.17Å; F150-F182 AromaticContact CD2-CD1 3.71Å; F150-F182 HydrophobicContact CD2-CD1 3.71Å; F150-F182 HydrophobicContact CD2-CE1 4.16Å; F150-F182 AromaticContact CE2-CD1 3.58Å; F150-F182 HydrophobicContact CE2-CD1 3.58Å; F150-F182 AromaticContact CE2-CE1 3.61Å; F150-F182 HydrophobicContact CE2-CE1 3.61Å; F150-F182 HydrophobicContact CE2-CG 4.42Å; F150-P183 PolarHBondContact N-O 3.33Å; F150-V184 WeakPolarHBondContact O-CA 3.26Å; F150-V185 PolarHBondContact O-N 3Å |
| 151 | V | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.1 | 164.6 | 175 | 0 | 0 | 0 | 0 | 107.4 | I11 S12 V13 V14 L32 V153 V185 A187 V234 A238 | I11-V151 HydrophobicContact CG2-CB 4.44Å; I11-V151 HydrophobicContact CG2-CG2 3.61Å; S12-V151 PolarHBondContact O-N 3.12Å; V13-V151 WeakPolarHBondContact CA-O 3.14Å; V13-V151 HydrophobicContact CG1-CB 4.41Å; V13-V151 HydrophobicContact CG1-CG1 4.36Å; V13-V151 HydrophobicContact CG2-CB 4.2Å; V14-V151 PolarHBondContact N-O 3.44Å; L32-V151 HydrophobicContact CD2-CG1 4.29Å; V151-V153 HydrophobicContact CG1-CG2 4.46Å; V151-V185 CarbonylContact C-O 3.53Å; V151-V185 VanDerWaalsContact CA-O 3.24Å; V151-V185 WeakPolarHBondContact CA-O 3.32Å; V151-V185 HydrophobicContact CG2-CB 4.34Å; V151-A187 HydrophobicContact CG1-CB 4.23Å; V151-V234 HydrophobicContact CG1-CG1 3.7Å; V151-V234 HydrophobicContact CG2-CG1 4.09Å; V151-A238 HydrophobicContact CG2-CB 3.9Å |
| 152 | C | 98.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.3 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | V14 V173 V184 V185 V186 A187 | V14-C152 HydrophobicContact CG2-CB 4.16Å; V14-C152 CarbonylContact O-C 3.48Å; V14-C152 WeakPolarHBondContact O-CA 3.26Å; C152-V173 HydrophobicContact CB-CG1 4.43Å; C152-V184 HydrophobicContact CB-CG1 4.18Å; C152-V185 PolarHBondContact N-O 3.01Å; C152-V186 CarbonylContact O-C 3.52Å; C152-V186 WeakPolarHBondContact O-CA 3.41Å; C152-A187 PolarHBondContact O-N 3.05Å |
| 153 | V | 98 | Very high | 93.7 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.8 | 177 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | V13 V14 V27 K29 L32 V151 A187 S189 | V13-V153 HydrophobicContact CG1-CG2 3.85Å; V14-V153 PolarHBondContact O-N 2.91Å; V27-V153 HydrophobicContact CB-CG1 4.26Å; V27-V153 HydrophobicContact CG2-CB 4.05Å; V27-V153 HydrophobicContact CG2-CG1 3.97Å; V27-V153 VanDerWaalsContact O-CG1 3.31Å; V27-V153 WeakPolarHBondContact O-CG1 3.48Å; K29-V153 HydrophobicContact CG-CB 4.11Å; K29-V153 HydrophobicContact CG-CG2 4.02Å; L32-V153 HydrophobicContact CD2-CG2 3.68Å; V151-V153 HydrophobicContact CG1-CG2 4.46Å; V153-A187 CarbonylContact C-O 3.54Å; V153-A187 WeakPolarHBondContact CA-O 3.24Å; V153-S189 WeakPolarHBondContact CG1-OG 3.49Å |
| 154 | Y | 97.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 115 | 179.7 | -171.7 | -80.3 | 0 | 0 | 0 | 109.2 | M156 Q166 F170 A187 T188 S189 A199 F203 | Y154-M156 HydrophobicContact CD1-SD 3.71Å; Y154-M156 HydrophobicContact CE1-SD 3.87Å; Y154-M156 PolarHBondContact O-N 3.05Å; Y154-Q166 HydrophobicContact CD2-CG 3.8Å; Y154-Q166 HydrophobicContact CE2-CG 3.58Å; Y154-Q166 HydrophobicContact CG-CG 4.49Å; Y154-F170 HydrophobicContact CD2-CB 4.04Å; Y154-F170 HydrophobicContact CD2-CD2 4.34Å; Y154-F170 HydrophobicContact CD2-CG 4.06Å; Y154-F170 HydrophobicContact CE2-CB 4.07Å; Y154-F170 HydrophobicContact CE2-CD1 4.45Å; Y154-F170 HydrophobicContact CE2-CG 4.28Å; Y154-A187 PolarHBondContact N-O 3.21Å; Y154-T188 CarbonylContact O-C 3.58Å; Y154-T188 WeakPolarHBondContact O-CA 3.26Å; Y154-S189 PolarHBondContact O-N 2.8Å; Y154-S189 PolarHBondContact O-OG 2.93Å; Y154-A199 HydrophobicContact CE1-CB 4.32Å; Y154-A199 PolarHBondContact OH-O 3.23Å; Y154-A199 VanDerWaalsContact OH-O 3.05Å; Y154-F203 AromaticContact CD1-CD2 3.97Å; Y154-F203 HydrophobicContact CD1-CD2 3.97Å; Y154-F203 AromaticContact CD2-CD2 3.96Å; Y154-F203 HydrophobicContact CD2-CD2 3.96Å; Y154-F203 HydrophobicContact CD2-CE2 4.47Å; Y154-F203 HydrophobicContact CE1-CB 3.89Å; Y154-F203 AromaticContact CE1-CD2 3.97Å; Y154-F203 HydrophobicContact CE1-CD2 3.97Å; Y154-F203 HydrophobicContact CE1-CG 4.26Å; Y154-F203 AromaticContact CE2-CD2 3.95Å; Y154-F203 HydrophobicContact CE2-CD2 3.95Å; Y154-F203 AromaticContact CG-CD2 3.96Å; Y154-F203 HydrophobicContact CG-CD2 3.96Å; Y154-F203 HydrophobicContact CG-CE2 4.35Å; Y154-F203 AromaticContact CZ-CD2 3.96Å |
| 155 | D | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.4 | -179 | -173 | -10 | 0 | 0 | 0 | 111.2 | V27 S157 L158 Q166 K190 | V27-D155 HydrophobicContact CB-CB 3.85Å; V27-D155 HydrophobicContact CG1-CB 3.79Å; D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact OD1-N 2.78Å; D155-S157 PolarHBondContact OD1-OG 2.73Å; D155-L158 HydrophobicContact CB-CD1 4.09Å; D155-L158 HydrophobicContact CB-CG 3.85Å; D155-Q166 PolarHBondContact O-NE2 2.78Å; D155-K190 VanDerWaalsContact OD1-CD 3.29Å; D155-K190 WeakPolarHBondContact OD1-CD 3.4Å; D155-K190 WeakPolarHBondContact OD2-CD 3.31Å; D155-K190 WeakPolarHBondContact OD2-CE 3.38Å; D155-K190 IonicContact OD2-NZ 3.86Å; D155-K190 PolarHBondContact OD2-NZ 3.33Å |
| 156 | M | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.9 | -178.8 | -66.1 | -61.9 | -60.1 | 0 | 0 | 113.8 | Y154 T188 S189 V195 S196 | Y154-M156 HydrophobicContact CD1-SD 3.71Å; Y154-M156 HydrophobicContact CE1-SD 3.87Å; Y154-M156 PolarHBondContact O-N 3.05Å; M156-T188 HydrophobicContact CG-CG2 4.46Å; M156-T188 HydrophobicContact SD-CG2 3.95Å; M156-S189 WeakPolarHBondContact CB-O 3.32Å; M156-S189 PolarHBondContact N-O 2.93Å; M156-V195 HydrophobicContact CB-CG1 4.2Å; M156-V195 HydrophobicContact CB-CG2 4.25Å; M156-V195 HydrophobicContact CE-CG1 3.7Å; M156-S196 WeakPolarHBondContact O-CB 3.34Å; M156-S196 PolarHBondContact O-N 3.38Å |
| 157 | S | 93.2 | Very high | 94 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -8.3 | -179.6 | 73.3 | 0 | 0 | 0 | 0 | 114.1 | D155 | D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact OD1-N 2.78Å; D155-S157 PolarHBondContact OD1-OG 2.73Å |
| 158 | L | 91.8 | Very high | 94 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | trans | -67.7 | 142.5 | -179.1 | -61.4 | -171.2 | 0 | 0 | 0 | 112.7 | Y16 Q25 D155 A163 Q166 S196 A199 | Y16-L158 HydrophobicContact CD1-CD1 4.03Å; Y16-L158 HydrophobicContact CE1-CD1 4.22Å; Q25-L158 HydrophobicContact CB-CD2 4.44Å; Q25-L158 VanDerWaalsContact OE1-CD2 3.28Å; D155-L158 HydrophobicContact CB-CD1 4.09Å; D155-L158 HydrophobicContact CB-CG 3.85Å; L158-A163 HydrophobicContact CB-CB 4.36Å; L158-Q166 HydrophobicContact CD1-CB 4.31Å; L158-S196 WeakPolarHBondContact O-CB 3.48Å; L158-S196 PolarHBondContact O-OG 2.99Å; L158-A199 WeakPolarHBondContact O-CB 3.4Å | ||
| 159 | C | 90.1 | Very high | 94 | Very high | 76 Ų | 76 | 24.7 Ų | 24.7 | 51% | 0.514 | 16% | 0.156 | S | C | . | . | trans | -127.7 | 173 | 173.9 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | A163 S196 | C159-A163 PolarHBondContact O-N 2.79Å; C159-S196 WeakPolarHBondContact SG-CB 3.44Å; C159-S196 PolarHBondContact SG-OG 2.87Å | ||
| 160 | G | 89 | Confident | 94.1 | Very high | 26 Ų | 26 | 24.7 Ų | 24.7 | 27% | 0.268 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | 65.2 | -147.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S162 A163 L164 | G160-S162 PolarHBondContact O-N 3.24Å; G160-A163 PolarHBondContact O-N 3.35Å; G160-A163 VanDerWaalsContact O-N 3.16Å; G160-L164 PolarHBondContact O-N 2.86Å |
| 161 | P | 87.4 | Confident | 93.9 | Very high | 93 Ų | 93 | 27 Ų | 27 | 60% | 0.604 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -54.4 | -36.8 | 179.5 | -27.2 | 35.6 | 0 | 0 | 0 | 113.2 | A163 L164 Q165 | P161-A163 PolarHBondContact O-N 2.88Å; P161-L164 PolarHBondContact O-N 2.96Å; P161-Q165 VanDerWaalsContact O-CG 3.32Å; P161-Q165 WeakPolarHBondContact O-CG 3.34Å; P161-Q165 PolarHBondContact O-N 2.73Å |
| 162 | S | 89.4 | Confident | 93.7 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -35.6 | -179.4 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | Q25 G160 L164 Q165 Q166 | Q25-S162 VanDerWaalsContact CD-OG 3.26Å; Q25-S162 PolarHBondContact NE2-OG 3.3Å; Q25-S162 PolarHBondContact OE1-OG 3.02Å; G160-S162 PolarHBondContact O-N 3.24Å; S162-L164 VanDerWaalsContact C-N 3.34Å; S162-Q165 PolarHBondContact O-N 3.42Å; S162-Q166 VanDerWaalsContact O-CB 3.22Å; S162-Q166 WeakPolarHBondContact O-CB 3.18Å; S162-Q166 PolarHBondContact O-N 3.33Å |
| 163 | A | 91.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L158 C159 G160 P161 A167 Q198 L202 | L158-A163 HydrophobicContact CB-CB 4.36Å; C159-A163 PolarHBondContact O-N 2.79Å; G160-A163 PolarHBondContact O-N 3.35Å; G160-A163 VanDerWaalsContact O-N 3.16Å; P161-A163 PolarHBondContact O-N 2.88Å; A163-A167 WeakPolarHBondContact O-CB 3.39Å; A163-A167 PolarHBondContact O-N 3.28Å; A163-Q198 HydrophobicContact CB-CG 4.4Å; A163-L202 HydrophobicContact CB-CD1 4.04Å |
| 164 | L | 92.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 176.3 | -69.5 | 167.8 | 0 | 0 | 0 | 111.9 | G160 P161 S162 A167 A168 L202 | G160-L164 PolarHBondContact O-N 2.86Å; P161-L164 PolarHBondContact O-N 2.96Å; S162-L164 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 3.37Å; L164-A168 PolarHBondContact O-N 2.96Å; L164-L202 HydrophobicContact CD2-CD1 3.7Å; L164-L202 HydrophobicContact CD2-CD2 3.76Å; L164-L202 HydrophobicContact CD2-CG 4.38Å; L164-L202 HydrophobicContact CG-CD1 4.13Å |
| 165 | Q | 92.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 178.5 | -69.9 | -179.7 | 32.6 | 0 | 0 | 112 | Y16 P161 S162 A167 A168 F169 | Y16-Q165 HydrophobicContact CE2-CB 3.76Å; Y16-Q165 WeakPolarHBondContact OH-CB 3.45Å; Y16-Q165 PolarHBondContact OH-OE1 2.95Å; P161-Q165 VanDerWaalsContact O-CG 3.32Å; P161-Q165 WeakPolarHBondContact O-CG 3.34Å; P161-Q165 PolarHBondContact O-N 2.73Å; S162-Q165 PolarHBondContact O-N 3.42Å; Q165-A167 VanDerWaalsContact C-N 3.35Å; Q165-A167 PolarHBondContact O-N 3.03Å; Q165-A168 PolarHBondContact O-N 3.13Å; Q165-F169 WeakPolarHBondContact O-CB 3.46Å; Q165-F169 PolarHBondContact O-N 2.95Å |
| 166 | Q | 94.8 | Very high | 93 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.3 | 172.3 | 173.3 | -132.3 | 0 | 0 | 111.6 | Y16 Y154 D155 L158 S162 F169 F170 | Y16-Q166 HydrophobicContact CD1-CB 3.89Å; Y16-Q166 HydrophobicContact CD2-CB 4.27Å; Y16-Q166 HydrophobicContact CE1-CB 4.37Å; Y16-Q166 HydrophobicContact CG-CB 3.82Å; Y16-Q166 HydrophobicContact CG-CG 4.28Å; Y154-Q166 HydrophobicContact CD2-CG 3.8Å; Y154-Q166 HydrophobicContact CE2-CG 3.58Å; Y154-Q166 HydrophobicContact CG-CG 4.49Å; D155-Q166 PolarHBondContact O-NE2 2.78Å; L158-Q166 HydrophobicContact CD1-CB 4.31Å; S162-Q166 VanDerWaalsContact O-CB 3.22Å; S162-Q166 WeakPolarHBondContact O-CB 3.18Å; S162-Q166 PolarHBondContact O-N 3.33Å; Q166-F169 PolarHBondContact O-N 3.43Å; Q166-F170 WeakPolarHBondContact O-CB 3.31Å; Q166-F170 PolarHBondContact O-N 3.26Å |
| 167 | A | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A163 L164 Q165 F170 C171 L202 | A163-A167 WeakPolarHBondContact O-CB 3.39Å; A163-A167 PolarHBondContact O-N 3.28Å; L164-A167 PolarHBondContact O-N 3.37Å; Q165-A167 VanDerWaalsContact C-N 3.35Å; Q165-A167 PolarHBondContact O-N 3.03Å; A167-F170 PolarHBondContact O-N 2.78Å; A167-C171 WeakPolarHBondContact O-CB 3.39Å; A167-C171 PolarHBondContact O-N 2.96Å; A167-L202 HydrophobicContact CB-CB 3.87Å; A167-L202 HydrophobicContact CB-CD1 4.36Å |
| 168 | A | 94.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 52% | 0.521 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L164 Q165 C171 H172 | L164-A168 PolarHBondContact O-N 2.96Å; Q165-A168 PolarHBondContact O-N 3.13Å; A168-C171 WeakPolarHBondContact O-CB 3.26Å; A168-C171 PolarHBondContact O-N 3.38Å; A168-H172 PolarHBondContact O-N 2.79Å |
| 169 | F | 95.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 174.2 | 175.7 | -96.7 | 0 | 0 | 0 | 111.6 | Y16 Y105 A106 Q165 Q166 C171 H172 V173 | Y16-F169 HydrophobicContact CD2-CB 4.09Å; Y16-F169 HydrophobicContact CD2-CG 4.41Å; Y105-F169 HydrophobicContact CD1-CE2 4.02Å; Y105-F169 HydrophobicContact CD1-CZ 4.29Å; Y105-F169 AromaticContact CE1-CE2 3.92Å; Y105-F169 HydrophobicContact CE1-CE2 3.92Å; Y105-F169 AromaticContact CE1-CZ 3.71Å; Y105-F169 HydrophobicContact CE1-CZ 3.71Å; A106-F169 HydrophobicContact CB-CE2 4.49Å; Q165-F169 WeakPolarHBondContact O-CB 3.46Å; Q165-F169 PolarHBondContact O-N 2.95Å; Q166-F169 PolarHBondContact O-N 3.43Å; F169-C171 VanDerWaalsContact C-N 3.33Å; F169-C171 PolarHBondContact O-N 3.24Å; F169-H172 WeakPolarHBondContact O-CB 3.4Å; F169-H172 PolarHBondContact O-N 3.36Å; F169-V173 HydrophobicContact CD1-CG2 4.07Å; F169-V173 HydrophobicContact CE1-CG2 3.54Å; F169-V173 HydrophobicContact CE2-CG2 4.05Å; F169-V173 HydrophobicContact CZ-CG2 3.52Å; F169-V173 WeakPolarHBondContact O-CG2 3.3Å; F169-V173 PolarHBondContact O-N 2.64Å |
| 170 | F | 96.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 175.9 | 175.6 | -116.3 | 0 | 0 | 0 | 111.7 | Y154 Q166 A167 H172 V173 I174 V186 F203 T206 F210 M218 | Y154-F170 HydrophobicContact CD2-CB 4.04Å; Y154-F170 HydrophobicContact CD2-CD2 4.34Å; Y154-F170 HydrophobicContact CD2-CG 4.06Å; Y154-F170 HydrophobicContact CE2-CB 4.07Å; Y154-F170 HydrophobicContact CE2-CD1 4.45Å; Y154-F170 HydrophobicContact CE2-CG 4.28Å; Q166-F170 WeakPolarHBondContact O-CB 3.31Å; Q166-F170 PolarHBondContact O-N 3.26Å; A167-F170 PolarHBondContact O-N 2.78Å; F170-H172 PolarHBondContact O-N 3.42Å; F170-V173 PolarHBondContact O-N 3.42Å; F170-I174 HydrophobicContact CD2-CD1 4.48Å; F170-I174 HydrophobicContact CD2-CG1 4.04Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 3.82Å; F170-I174 HydrophobicContact CE2-CG1 3.6Å; F170-I174 HydrophobicContact CZ-CD1 4.26Å; F170-I174 HydrophobicContact CZ-CG1 3.79Å; F170-I174 WeakPolarHBondContact O-CG1 3.31Å; F170-I174 PolarHBondContact O-N 2.79Å; F170-V186 HydrophobicContact CE2-CG1 3.9Å; F170-V186 HydrophobicContact CE2-CG2 3.79Å; F170-V186 HydrophobicContact CZ-CG1 4.35Å; F170-V186 HydrophobicContact CZ-CG2 4.19Å; F170-F203 HydrophobicContact CD1-CD2 4.35Å; F170-F203 HydrophobicContact CD1-CE2 4.48Å; F170-F203 AromaticContact CE1-CD2 3.98Å; F170-F203 HydrophobicContact CE1-CD2 3.98Å; F170-F203 AromaticContact CE1-CE2 3.78Å; F170-F203 HydrophobicContact CE1-CE2 3.78Å; F170-F203 HydrophobicContact CE2-CE2 4.25Å; F170-F203 HydrophobicContact CZ-CD2 4.3Å; F170-F203 AromaticContact CZ-CE2 3.65Å; F170-F203 HydrophobicContact CZ-CE2 3.65Å; F170-F203 HydrophobicContact CZ-CZ 4.4Å; F170-T206 HydrophobicContact CD1-CG2 3.73Å; F170-T206 HydrophobicContact CE1-CG2 4.1Å; F170-F210 HydrophobicContact CD1-CZ 4.33Å; F170-F210 AromaticContact CE1-CE2 3.74Å; F170-F210 HydrophobicContact CE1-CE2 3.74Å; F170-F210 AromaticContact CE1-CZ 3.99Å; F170-F210 HydrophobicContact CE1-CZ 3.99Å; F170-F210 HydrophobicContact CZ-CE2 4.06Å; F170-M218 HydrophobicContact CZ-CE 4.25Å |
| 171 | C | 95.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 32% | 0.324 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.2 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | A167 A168 F169 T175 T206 | A167-C171 WeakPolarHBondContact O-CB 3.39Å; A167-C171 PolarHBondContact O-N 2.96Å; A168-C171 WeakPolarHBondContact O-CB 3.26Å; A168-C171 PolarHBondContact O-N 3.38Å; F169-C171 VanDerWaalsContact C-N 3.33Å; F169-C171 PolarHBondContact O-N 3.24Å; C171-T175 VanDerWaalsContact O-CB 3.27Å; C171-T175 WeakPolarHBondContact O-CB 3.25Å; C171-T175 PolarHBondContact O-N 3.25Å; C171-T175 PolarHBondContact O-OG1 2.65Å; C171-T206 HydrophobicContact CB-CG2 3.78Å |
| 172 | H | 94.7 | Very high | 92.4 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.4 | -50.7 | 174.3 | 170.9 | 67.2 | 0 | 0 | 0 | 111.8 | A106 A168 F169 F170 I174 T175 R176 | A106-H172 PolarHBondContact O-NE2 3.49Å; A168-H172 PolarHBondContact O-N 2.79Å; F169-H172 WeakPolarHBondContact O-CB 3.4Å; F169-H172 PolarHBondContact O-N 3.36Å; F170-H172 PolarHBondContact O-N 3.42Å; H172-I174 PolarHBondContact O-N 2.75Å; H172-T175 PolarHBondContact O-N 2.82Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.22Å |
| 173 | V | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -51.3 | 179.3 | 171 | 0 | 0 | 0 | 0 | 111.4 | V14 L110 C152 F169 F170 T175 R176 L177 | V14-V173 HydrophobicContact CG2-CG1 4.48Å; L110-V173 HydrophobicContact CD1-CB 4.47Å; L110-V173 HydrophobicContact CD1-CG2 4.27Å; L110-V173 HydrophobicContact CD2-CG1 3.98Å; L110-V173 HydrophobicContact CD2-CG2 4.19Å; C152-V173 HydrophobicContact CB-CG1 4.43Å; F169-V173 HydrophobicContact CD1-CG2 4.07Å; F169-V173 HydrophobicContact CE1-CG2 3.54Å; F169-V173 HydrophobicContact CE2-CG2 4.05Å; F169-V173 HydrophobicContact CZ-CG2 3.52Å; F169-V173 WeakPolarHBondContact O-CG2 3.3Å; F169-V173 PolarHBondContact O-N 2.64Å; F170-V173 PolarHBondContact O-N 3.42Å; V173-T175 PolarHBondContact O-N 2.91Å; V173-R176 PolarHBondContact O-N 3.48Å; V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.48Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.42Å; V173-L177 PolarHBondContact O-N 3.27Å |
| 174 | I | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | -178 | -62.4 | -52.9 | 0 | 0 | 0 | 111.3 | F170 H172 S178 V184 V186 F210 M218 | F170-I174 HydrophobicContact CD2-CD1 4.48Å; F170-I174 HydrophobicContact CD2-CG1 4.04Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 3.82Å; F170-I174 HydrophobicContact CE2-CG1 3.6Å; F170-I174 HydrophobicContact CZ-CD1 4.26Å; F170-I174 HydrophobicContact CZ-CG1 3.79Å; F170-I174 WeakPolarHBondContact O-CG1 3.31Å; F170-I174 PolarHBondContact O-N 2.79Å; H172-I174 PolarHBondContact O-N 2.75Å; I174-S178 WeakPolarHBondContact O-CB 3.2Å; I174-S178 PolarHBondContact O-N 2.92Å; I174-S178 PolarHBondContact O-OG 2.71Å; I174-V184 HydrophobicContact CD1-CB 4.31Å; I174-V184 HydrophobicContact CD1-CG1 3.93Å; I174-V184 HydrophobicContact CD1-CG2 4.38Å; I174-V186 HydrophobicContact CD1-CG2 4.45Å; I174-F210 HydrophobicContact CB-CE1 4.26Å; I174-F210 HydrophobicContact CB-CE2 3.85Å; I174-F210 HydrophobicContact CB-CZ 3.62Å; I174-F210 HydrophobicContact CG1-CE2 3.78Å; I174-F210 HydrophobicContact CG1-CZ 3.84Å; I174-F210 HydrophobicContact CG2-CD1 4.44Å; I174-F210 HydrophobicContact CG2-CD2 3.87Å; I174-F210 HydrophobicContact CG2-CE1 4.19Å; I174-F210 HydrophobicContact CG2-CE2 3.61Å; I174-F210 HydrophobicContact CG2-CG 4.29Å; I174-F210 HydrophobicContact CG2-CZ 3.75Å; I174-M218 HydrophobicContact CD1-CE 3.52Å; I174-M218 HydrophobicContact CD1-SD 4.11Å; I174-M218 HydrophobicContact CG1-CE 3.93Å; I174-M218 HydrophobicContact CG2-CE 4.22Å; I174-M218 HydrophobicContact CG2-SD 3.77Å |
| 175 | T | 92.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 36% | 0.362 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | C171 H172 V173 S178 S179 W214 | C171-T175 VanDerWaalsContact O-CB 3.27Å; C171-T175 WeakPolarHBondContact O-CB 3.25Å; C171-T175 PolarHBondContact O-N 3.25Å; C171-T175 PolarHBondContact O-OG1 2.65Å; H172-T175 PolarHBondContact O-N 2.82Å; V173-T175 PolarHBondContact O-N 2.91Å; T175-S178 PolarHBondContact O-N 3.31Å; T175-S179 PolarHBondContact O-N 3.26Å; T175-W214 HydrophobicContact CG2-CH2 4.44Å |
| 176 | R | 92.4 | Very high | 93 | Very high | 127 Ų | 127 | 35 Ų | 35 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.9 | -51.5 | -179.8 | -178.5 | 57.6 | 174.5 | 160.9 | -4 | 111.5 | L110 H172 V173 S178 S179 L180 | L110-R176 HydrophobicContact CD1-CB 3.76Å; L110-R176 HydrophobicContact CD1-CG 3.72Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.22Å; V173-R176 PolarHBondContact O-N 3.48Å; R176-S178 VanDerWaalsContact C-N 3.31Å; R176-S178 PolarHBondContact O-N 3.33Å; R176-S179 PolarHBondContact O-N 3.04Å; R176-S179 PolarHBondContact O-OG 3.32Å; R176-L180 PolarHBondContact O-N 3.08Å |
| 177 | L | 92.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -32.9 | -178.8 | -66.2 | -179.7 | 0 | 0 | 0 | 112.5 | L110 F150 V173 L180 K181 F182 V184 | L110-L177 HydrophobicContact CB-CD2 4.44Å; L110-L177 HydrophobicContact CD2-CD1 4.16Å; L110-L177 HydrophobicContact CD2-CD2 4.31Å; L110-L177 HydrophobicContact CD2-CG 4.26Å; F150-L177 HydrophobicContact CB-CD1 3.71Å; F150-L177 HydrophobicContact CD1-CD1 4.48Å; F150-L177 HydrophobicContact CD2-CD1 3.76Å; F150-L177 HydrophobicContact CD2-CD2 3.54Å; F150-L177 HydrophobicContact CD2-CG 4.32Å; F150-L177 HydrophobicContact CE2-CD2 3.51Å; F150-L177 HydrophobicContact CG-CD1 3.73Å; F150-L177 HydrophobicContact CG-CD2 4.21Å; F150-L177 HydrophobicContact CZ-CD2 4.17Å; V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.48Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.42Å; V173-L177 PolarHBondContact O-N 3.27Å; L177-L180 CarbonylContact O-C 3.51Å; L177-L180 PolarHBondContact O-N 3.32Å; L177-K181 PolarHBondContact O-N 3.18Å; L177-K181 VanDerWaalsContact O-N 3.1Å; L177-F182 HydrophobicContact CB-CB 4.11Å; L177-F182 HydrophobicContact CD2-CB 4.15Å; L177-F182 HydrophobicContact CD2-CG 4.45Å; L177-F182 PolarHBondContact O-N 2.72Å; L177-V184 HydrophobicContact CB-CG2 3.86Å; L177-V184 HydrophobicContact CD1-CG1 4.49Å; L177-V184 HydrophobicContact CD1-CG2 3.49Å; L177-V184 VanDerWaalsContact CD1-CG2 3.49Å; L177-V184 HydrophobicContact CG-CG2 4.34Å |
| 178 | S | 89.8 | Confident | 93.3 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 174.8 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | I174 T175 R176 L180 K181 W214 | I174-S178 WeakPolarHBondContact O-CB 3.2Å; I174-S178 PolarHBondContact O-N 2.92Å; I174-S178 PolarHBondContact O-OG 2.71Å; T175-S178 PolarHBondContact O-N 3.31Å; R176-S178 VanDerWaalsContact C-N 3.31Å; R176-S178 PolarHBondContact O-N 3.33Å; S178-L180 PolarHBondContact O-N 3.23Å; S178-K181 PolarHBondContact O-N 2.71Å; S178-W214 VanDerWaalsContact CB-CD1 3.43Å; S178-W214 WeakPolarHBondContact OG-CB 3.47Å |
| 179 | S | 88.8 | Confident | 93.2 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.4 | -33.1 | 174.4 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | T175 R176 K181 | T175-S179 PolarHBondContact O-N 3.26Å; R176-S179 PolarHBondContact O-N 3.04Å; R176-S179 PolarHBondContact O-OG 3.32Å; S179-K181 VanDerWaalsContact C-N 3.34Å |
| 180 | L | 87.4 | Confident | 93.1 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.7 | 176.7 | -58.2 | 176.8 | 0 | 0 | 0 | 113.3 | F112 R176 L177 S178 F182 | F112-L180 HydrophobicContact CD1-CD1 4.28Å; F112-L180 HydrophobicContact CE1-CD1 4.44Å; R176-L180 PolarHBondContact O-N 3.08Å; L177-L180 CarbonylContact O-C 3.51Å; L177-L180 PolarHBondContact O-N 3.32Å; S178-L180 PolarHBondContact O-N 3.23Å; L180-F182 HydrophobicContact CB-CD2 3.68Å; L180-F182 HydrophobicContact CB-CE2 4.23Å; L180-F182 PolarHBondContact O-N 3.02Å |
| 181 | K | 86.4 | Confident | 92.9 | Very high | 146 Ų | 146 | 34.4 Ų | 34.4 | 64% | 0.635 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.3 | -175.4 | -56.2 | 174.5 | -177.3 | 168.5 | 0 | 113.2 | L177 S178 S179 | L177-K181 PolarHBondContact O-N 3.18Å; L177-K181 VanDerWaalsContact O-N 3.1Å; S178-K181 PolarHBondContact O-N 2.71Å; S179-K181 VanDerWaalsContact C-N 3.34Å |
| 182 | F | 90.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | trans | -79.8 | 141.3 | 176.7 | -96.5 | -111.8 | 0 | 0 | 0 | 111.7 | F112 V147 F150 L177 L180 K245 | F112-F182 HydrophobicContact CB-CE1 3.79Å; F112-F182 HydrophobicContact CB-CE2 4.24Å; F112-F182 HydrophobicContact CB-CZ 3.34Å; F112-F182 HydrophobicContact CD1-CE2 4.39Å; F112-F182 HydrophobicContact CD1-CZ 4.27Å; F112-F182 HydrophobicContact CD2-CZ 4.13Å; F112-F182 HydrophobicContact CG-CE2 4.18Å; F112-F182 AromaticContact CG-CZ 3.66Å; F112-F182 HydrophobicContact CG-CZ 3.66Å; V147-F182 VanDerWaalsContact O-CE1 3.26Å; V147-F182 WeakPolarHBondContact O-CE1 3.4Å; F150-F182 AromaticContact CD2-CD1 3.71Å; F150-F182 HydrophobicContact CD2-CD1 3.71Å; F150-F182 HydrophobicContact CD2-CE1 4.16Å; F150-F182 AromaticContact CE2-CD1 3.58Å; F150-F182 HydrophobicContact CE2-CD1 3.58Å; F150-F182 AromaticContact CE2-CE1 3.61Å; F150-F182 HydrophobicContact CE2-CE1 3.61Å; F150-F182 HydrophobicContact CE2-CG 4.42Å; L177-F182 HydrophobicContact CB-CB 4.11Å; L177-F182 HydrophobicContact CD2-CB 4.15Å; L177-F182 HydrophobicContact CD2-CG 4.45Å; L177-F182 PolarHBondContact O-N 2.72Å; L180-F182 HydrophobicContact CB-CD2 3.68Å; L180-F182 HydrophobicContact CB-CE2 4.23Å; L180-F182 PolarHBondContact O-N 3.02Å; F182-K245 VanDerWaalsContact CD1-NZ 3.29Å | ||
| 183 | P | 89 | Confident | 92.2 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | trans | -76.3 | 144.5 | 169.4 | 32.1 | -32.6 | 0 | 0 | 0 | 111.5 | V149 F150 N217 F241 K245 | V149-P183 HydrophobicContact CB-CG 4.36Å; V149-P183 HydrophobicContact CG2-CB 4.49Å; V149-P183 HydrophobicContact CG2-CG 4.2Å; F150-P183 PolarHBondContact N-O 3.33Å; P183-N217 WeakPolarHBondContact CA-O 3.28Å; P183-F241 HydrophobicContact CB-CB 3.9Å; P183-F241 HydrophobicContact CB-CD1 3.42Å; P183-F241 VanDerWaalsContact CB-CD1 3.42Å; P183-F241 HydrophobicContact CB-CE1 4.22Å; P183-F241 HydrophobicContact CB-CG 4.06Å; P183-F241 HydrophobicContact CG-CB 4.23Å; P183-K245 HydrophobicContact CG-CB 4.35Å; P183-K245 HydrophobicContact CG-CD 4.25Å | ||
| 184 | V | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.3 | -179 | -171.1 | 0 | 0 | 0 | 0 | 110 | F150 C152 I174 L177 V186 N217 M218 C219 | F150-V184 WeakPolarHBondContact O-CA 3.26Å; C152-V184 HydrophobicContact CB-CG1 4.18Å; I174-V184 HydrophobicContact CD1-CB 4.31Å; I174-V184 HydrophobicContact CD1-CG1 3.93Å; I174-V184 HydrophobicContact CD1-CG2 4.38Å; L177-V184 HydrophobicContact CB-CG2 3.86Å; L177-V184 HydrophobicContact CD1-CG1 4.49Å; L177-V184 HydrophobicContact CD1-CG2 3.49Å; L177-V184 VanDerWaalsContact CD1-CG2 3.49Å; L177-V184 HydrophobicContact CG-CG2 4.34Å; V184-V186 HydrophobicContact CG1-CG2 4.26Å; V184-N217 PolarHBondContact N-O 2.82Å; V184-M218 HydrophobicContact CB-CG 4.41Å; V184-M218 VanDerWaalsContact O-CA 3.27Å; V184-M218 WeakPolarHBondContact O-CA 3.2Å; V184-C219 PolarHBondContact O-N 3.17Å |
| 185 | V | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.8 | 165.4 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | F150 V151 C152 C219 V221 V234 C237 A238 F241 | F150-V185 PolarHBondContact O-N 3Å; V151-V185 CarbonylContact C-O 3.53Å; V151-V185 VanDerWaalsContact CA-O 3.24Å; V151-V185 WeakPolarHBondContact CA-O 3.32Å; V151-V185 HydrophobicContact CG2-CB 4.34Å; C152-V185 PolarHBondContact N-O 3.01Å; V185-C219 CarbonylContact C-O 3.59Å; V185-C219 WeakPolarHBondContact CA-O 3.3Å; V185-V221 HydrophobicContact CG1-CG2 4.19Å; V185-V234 HydrophobicContact CG1-CG1 4.02Å; V185-C237 HydrophobicContact CG1-CB 4.29Å; V185-C237 HydrophobicContact CG2-CB 4.01Å; V185-A238 HydrophobicContact CG2-CB 4.17Å; V185-F241 HydrophobicContact CG2-CD2 4.14Å; V185-F241 HydrophobicContact CG2-CE2 4.44Å |
| 186 | V | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.8 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | C152 F170 I174 V184 T188 F203 M218 C219 V220 V221 | C152-V186 CarbonylContact O-C 3.52Å; C152-V186 WeakPolarHBondContact O-CA 3.41Å; F170-V186 HydrophobicContact CE2-CG1 3.9Å; F170-V186 HydrophobicContact CE2-CG2 3.79Å; F170-V186 HydrophobicContact CZ-CG1 4.35Å; F170-V186 HydrophobicContact CZ-CG2 4.19Å; I174-V186 HydrophobicContact CD1-CG2 4.45Å; V184-V186 HydrophobicContact CG1-CG2 4.26Å; V186-T188 HydrophobicContact CG1-CG2 4.39Å; V186-F203 HydrophobicContact CG1-CE2 3.92Å; V186-F203 HydrophobicContact CG1-CZ 4.18Å; V186-M218 HydrophobicContact CG2-CE 3.95Å; V186-C219 PolarHBondContact N-O 3.38Å; V186-V220 HydrophobicContact CB-CG2 4.19Å; V186-V220 CarbonylContact O-C 3.5Å; V186-V220 WeakPolarHBondContact O-CA 3.41Å; V186-V221 PolarHBondContact O-N 2.96Å |
| 187 | A | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 100.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | L32 V151 C152 V153 Y154 S189 V221 V234 | L32-A187 HydrophobicContact CD2-CB 3.85Å; V151-A187 HydrophobicContact CG1-CB 4.23Å; C152-A187 PolarHBondContact O-N 3.05Å; V153-A187 CarbonylContact C-O 3.54Å; V153-A187 WeakPolarHBondContact CA-O 3.24Å; Y154-A187 PolarHBondContact N-O 3.21Å; A187-S189 PolarHBondContact O-N 3.14Å; A187-V221 WeakPolarHBondContact CA-O 3.45Å; A187-V234 HydrophobicContact CB-CG1 4.16Å; A187-V234 HydrophobicContact CB-CG2 3.92Å |
| 188 | T | 97.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 114.4 | 169.6 | 56.6 | 0 | 0 | 0 | 0 | 106.8 | Y154 M156 V186 H191 F203 V220 V221 E222 T223 | Y154-T188 CarbonylContact O-C 3.58Å; Y154-T188 WeakPolarHBondContact O-CA 3.26Å; M156-T188 HydrophobicContact CG-CG2 4.46Å; M156-T188 HydrophobicContact SD-CG2 3.95Å; V186-T188 HydrophobicContact CG1-CG2 4.39Å; T188-H191 PolarHBondContact O-CD2 3.32Å; T188-H191 PolarHBondContact OG1-NE2 3.42Å; T188-F203 HydrophobicContact CG2-CE1 4.26Å; T188-F203 HydrophobicContact CG2-CE2 4.01Å; T188-F203 HydrophobicContact CG2-CZ 3.85Å; T188-V220 HydrophobicContact CG2-CG1 3.96Å; T188-V221 PolarHBondContact N-O 3.34Å; T188-V221 PolarHBondContact OG1-O 2.87Å; T188-E222 VanDerWaalsContact OG1-CA 3.28Å; T188-E222 WeakPolarHBondContact OG1-CA 3.34Å; T188-T223 PolarHBondContact O-N 2.95Å; T188-T223 PolarHBondContact O-OG1 3.49Å |
| 189 | S | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 175.5 | -171.6 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | V27 V153 Y154 M156 A187 H191 T223 | V27-S189 PolarHBondContact O-OG 2.82Å; V153-S189 WeakPolarHBondContact CG1-OG 3.49Å; Y154-S189 PolarHBondContact O-N 2.8Å; Y154-S189 PolarHBondContact O-OG 2.93Å; M156-S189 WeakPolarHBondContact CB-O 3.32Å; M156-S189 PolarHBondContact N-O 2.93Å; A187-S189 PolarHBondContact O-N 3.14Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 3.24Å; S189-T223 CarbonylContact C-O 3.58Å; S189-T223 WeakPolarHBondContact CA-O 3.49Å |
| 190 | K | 92.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 21% | 0.213 | 21% | 0.208 | C | C | . | . | trans | 58.6 | 32.4 | 177.8 | -52.3 | -161.6 | -168.7 | 162.8 | 0 | 115 | H26 D155 D192 M193 T223 | H26-K190 VanDerWaalsContact O-CE 3.22Å; H26-K190 WeakPolarHBondContact O-CE 3.27Å; H26-K190 PolarHBondContact O-NZ 3.46Å; D155-K190 VanDerWaalsContact OD1-CD 3.29Å; D155-K190 WeakPolarHBondContact OD1-CD 3.4Å; D155-K190 WeakPolarHBondContact OD2-CD 3.31Å; D155-K190 WeakPolarHBondContact OD2-CE 3.38Å; D155-K190 IonicContact OD2-NZ 3.86Å; D155-K190 PolarHBondContact OD2-NZ 3.33Å; K190-D192 WeakPolarHBondContact CA-OD1 3.44Å; K190-D192 PolarHBondContact O-N 3.35Å; K190-M193 HydrophobicContact CB-CB 4.49Å; K190-M193 HydrophobicContact CB-CG 4.33Å; K190-M193 HydrophobicContact CB-SD 4.25Å; K190-M193 HydrophobicContact CD-SD 3.72Å; K190-M193 HydrophobicContact CG-SD 4.49Å; K190-M193 WeakPolarHBondContact O-CB 3.36Å; K190-M193 PolarHBondContact O-N 3.22Å; K190-T223 PolarHBondContact N-O 3.31Å | ||
| 191 | H | 91.6 | Very high | 92 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.1 | 170.2 | -77.9 | -95.2 | 0 | 0 | 0 | 113.8 | T188 S189 M193 E222 T223 Y288 | T188-H191 PolarHBondContact O-CD2 3.32Å; T188-H191 PolarHBondContact OG1-NE2 3.42Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 3.24Å; H191-M193 VanDerWaalsContact C-N 3.32Å; H191-E222 IonicContact CE1-OE1 3.55Å; H191-T223 PolarHBondContact CD2-O 2.99Å; H191-T223 PolarHBondContact N-O 3.1Å; H191-Y288 HydrophobicContact CB-CD1 4.14Å; H191-Y288 HydrophobicContact CB-CD2 3.6Å; H191-Y288 HydrophobicContact CB-CE1 4.25Å; H191-Y288 HydrophobicContact CB-CE2 3.74Å; H191-Y288 HydrophobicContact CB-CG 3.81Å |
| 192 | D | 88 | Confident | 92.5 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.8 | 166.2 | 49.7 | -72 | 0 | 0 | 0 | 113.8 | K190 S224 L226 L227 | K190-D192 WeakPolarHBondContact CA-OD1 3.44Å; K190-D192 PolarHBondContact O-N 3.35Å; D192-S224 VanDerWaalsContact CB-OG 3.26Å; D192-S224 WeakPolarHBondContact CB-OG 3.38Å; D192-S224 WeakPolarHBondContact OD1-CB 3.47Å; D192-S224 PolarHBondContact OD1-OG 3.23Å; D192-L226 WeakPolarHBondContact OD2-CB 3.35Å; D192-L226 VanDerWaalsContact OD2-CD2 3.25Å; D192-L226 WeakPolarHBondContact OD2-CD2 3.22Å; D192-L227 HydrophobicContact CB-CD1 3.64Å; D192-L227 HydrophobicContact CB-CG 3.84Å |
| 193 | M | 87.3 | Confident | 92.8 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 47% | 0.473 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -98.6 | 171.8 | 174 | -60 | -174.1 | 71.2 | 0 | 0 | 111 | K190 H191 V195 | K190-M193 HydrophobicContact CB-CB 4.49Å; K190-M193 HydrophobicContact CB-CG 4.33Å; K190-M193 HydrophobicContact CB-SD 4.25Å; K190-M193 HydrophobicContact CD-SD 3.72Å; K190-M193 HydrophobicContact CG-SD 4.49Å; K190-M193 WeakPolarHBondContact O-CB 3.36Å; K190-M193 PolarHBondContact O-N 3.22Å; H191-M193 VanDerWaalsContact C-N 3.32Å; M193-V195 PolarHBondContact O-N 3.16Å |
| 194 | S | 83.3 | Confident | 93 | Very high | 100 Ų | 100 | 37.3 Ų | 37.3 | 70% | 0.699 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -60.2 | 121.5 | 168.7 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | S196 | S194-S196 PolarHBondContact O-N 2.99Š|
| 195 | V | 88.3 | Confident | 92.9 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 39% | 0.394 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 122.3 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 108.7 | M156 M193 S197 | M156-V195 HydrophobicContact CB-CG1 4.2Å; M156-V195 HydrophobicContact CB-CG2 4.25Å; M156-V195 HydrophobicContact CE-CG1 3.7Å; M193-V195 PolarHBondContact O-N 3.16Å; V195-S197 PolarHBondContact O-N 3.48Å |
| 196 | S | 91.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 125.8 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | M156 L158 C159 S194 Q198 A199 S200 | M156-S196 WeakPolarHBondContact O-CB 3.34Å; M156-S196 PolarHBondContact O-N 3.38Å; L158-S196 WeakPolarHBondContact O-CB 3.48Å; L158-S196 PolarHBondContact O-OG 2.99Å; C159-S196 WeakPolarHBondContact SG-CB 3.44Å; C159-S196 PolarHBondContact SG-OG 2.87Å; S194-S196 PolarHBondContact O-N 2.99Å; S196-Q198 PolarHBondContact O-N 2.93Å; S196-Q198 PolarHBondContact OG-N 3.29Å; S196-A199 PolarHBondContact O-N 2.93Å; S196-A199 PolarHBondContact OG-N 2.83Å; S196-A199 VanDerWaalsContact OG-N 3.09Å; S196-S200 VanDerWaalsContact O-CB 3.3Å; S196-S200 WeakPolarHBondContact O-CB 3.46Å; S196-S200 PolarHBondContact O-N 2.96Å |
| 197 | S | 89.1 | Confident | 92.2 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 54% | 0.538 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 172.3 | 60 | 0 | 0 | 0 | 0 | 110.9 | V195 T201 | V195-S197 PolarHBondContact O-N 3.48Å; S197-T201 VanDerWaalsContact O-CB 3.32Å; S197-T201 WeakPolarHBondContact O-CB 3.29Å; S197-T201 PolarHBondContact O-N 2.9Å; S197-T201 PolarHBondContact O-OG1 2.72Å |
| 198 | Q | 94 | Very high | 91.6 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -51.5 | 177.4 | -169.9 | -177.8 | 13.2 | 0 | 0 | 111.8 | A163 S196 S200 T201 L202 | A163-Q198 HydrophobicContact CB-CG 4.4Å; S196-Q198 PolarHBondContact O-N 2.93Å; S196-Q198 PolarHBondContact OG-N 3.29Å; Q198-S200 VanDerWaalsContact C-N 3.27Å; Q198-S200 PolarHBondContact O-N 2.84Å; Q198-T201 PolarHBondContact O-N 2.84Å; Q198-L202 HydrophobicContact CG-CD1 3.93Å; Q198-L202 HydrophobicContact CG-CG 4.42Å; Q198-L202 WeakPolarHBondContact O-CB 3.39Å; Q198-L202 VanDerWaalsContact O-CG 3.29Å; Q198-L202 WeakPolarHBondContact O-CG 3.31Å; Q198-L202 PolarHBondContact O-N 3.27Å |
| 199 | A | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y154 L158 S196 F203 | Y154-A199 HydrophobicContact CE1-CB 4.32Å; Y154-A199 PolarHBondContact OH-O 3.23Å; Y154-A199 VanDerWaalsContact OH-O 3.05Å; L158-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 2.93Å; S196-A199 PolarHBondContact OG-N 2.83Å; S196-A199 VanDerWaalsContact OG-N 3.09Å; A199-F203 WeakPolarHBondContact O-CB 3.33Å; A199-F203 PolarHBondContact O-N 3.09Å |
| 200 | S | 93.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | S196 Q198 K204 | S196-S200 VanDerWaalsContact O-CB 3.3Å; S196-S200 WeakPolarHBondContact O-CB 3.46Å; S196-S200 PolarHBondContact O-N 2.96Å; Q198-S200 VanDerWaalsContact C-N 3.27Å; Q198-S200 PolarHBondContact O-N 2.84Å; S200-K204 WeakPolarHBondContact O-CB 3.38Å; S200-K204 VanDerWaalsContact O-CG 3.25Å; S200-K204 WeakPolarHBondContact O-CG 3.29Å; S200-K204 PolarHBondContact O-N 3.39Å |
| 201 | T | 93.9 | Very high | 90.4 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -50.5 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | S197 Q198 F203 K204 D205 | S197-T201 VanDerWaalsContact O-CB 3.32Å; S197-T201 WeakPolarHBondContact O-CB 3.29Å; S197-T201 PolarHBondContact O-N 2.9Å; S197-T201 PolarHBondContact O-OG1 2.72Å; Q198-T201 PolarHBondContact O-N 2.84Å; T201-F203 VanDerWaalsContact C-N 3.31Å; T201-F203 PolarHBondContact O-N 3.32Å; T201-K204 PolarHBondContact O-N 3.34Å; T201-K204 VanDerWaalsContact O-N 3.08Å; T201-D205 WeakPolarHBondContact O-CB 3.29Å; T201-D205 VanDerWaalsContact O-CG 3.24Å; T201-D205 PolarHBondContact O-N 2.93Å |
| 202 | L | 96.9 | Very high | 89.9 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 177.3 | -69.3 | 171.9 | 0 | 0 | 0 | 112.7 | A163 L164 A167 Q198 T206 | A163-L202 HydrophobicContact CB-CD1 4.04Å; L164-L202 HydrophobicContact CD2-CD1 3.7Å; L164-L202 HydrophobicContact CD2-CD2 3.76Å; L164-L202 HydrophobicContact CD2-CG 4.38Å; L164-L202 HydrophobicContact CG-CD1 4.13Å; A167-L202 HydrophobicContact CB-CB 3.87Å; A167-L202 HydrophobicContact CB-CD1 4.36Å; Q198-L202 HydrophobicContact CG-CD1 3.93Å; Q198-L202 HydrophobicContact CG-CG 4.42Å; Q198-L202 WeakPolarHBondContact O-CB 3.39Å; Q198-L202 VanDerWaalsContact O-CG 3.29Å; Q198-L202 WeakPolarHBondContact O-CG 3.31Å; Q198-L202 PolarHBondContact O-N 3.27Å; L202-T206 VanDerWaalsContact O-CB 3.23Å; L202-T206 WeakPolarHBondContact O-CB 3.25Å; L202-T206 PolarHBondContact O-N 2.95Å; L202-T206 PolarHBondContact O-OG1 3.02Å |
| 203 | F | 96.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.6 | -179.8 | -99.6 | 0 | 0 | 0 | 111.5 | Y154 F170 V186 T188 A199 T201 L207 V220 W285 | Y154-F203 AromaticContact CD1-CD2 3.97Å; Y154-F203 HydrophobicContact CD1-CD2 3.97Å; Y154-F203 AromaticContact CD2-CD2 3.96Å; Y154-F203 HydrophobicContact CD2-CD2 3.96Å; Y154-F203 HydrophobicContact CD2-CE2 4.47Å; Y154-F203 HydrophobicContact CE1-CB 3.89Å; Y154-F203 AromaticContact CE1-CD2 3.97Å; Y154-F203 HydrophobicContact CE1-CD2 3.97Å; Y154-F203 HydrophobicContact CE1-CG 4.26Å; Y154-F203 AromaticContact CE2-CD2 3.95Å; Y154-F203 HydrophobicContact CE2-CD2 3.95Å; Y154-F203 AromaticContact CG-CD2 3.96Å; Y154-F203 HydrophobicContact CG-CD2 3.96Å; Y154-F203 HydrophobicContact CG-CE2 4.35Å; Y154-F203 AromaticContact CZ-CD2 3.96Å; F170-F203 HydrophobicContact CD1-CD2 4.35Å; F170-F203 HydrophobicContact CD1-CE2 4.48Å; F170-F203 AromaticContact CE1-CD2 3.98Å; F170-F203 HydrophobicContact CE1-CD2 3.98Å; F170-F203 AromaticContact CE1-CE2 3.78Å; F170-F203 HydrophobicContact CE1-CE2 3.78Å; F170-F203 HydrophobicContact CE2-CE2 4.25Å; F170-F203 HydrophobicContact CZ-CD2 4.3Å; F170-F203 AromaticContact CZ-CE2 3.65Å; F170-F203 HydrophobicContact CZ-CE2 3.65Å; F170-F203 HydrophobicContact CZ-CZ 4.4Å; V186-F203 HydrophobicContact CG1-CE2 3.92Å; V186-F203 HydrophobicContact CG1-CZ 4.18Å; T188-F203 HydrophobicContact CG2-CE1 4.26Å; T188-F203 HydrophobicContact CG2-CE2 4.01Å; T188-F203 HydrophobicContact CG2-CZ 3.85Å; A199-F203 WeakPolarHBondContact O-CB 3.33Å; A199-F203 PolarHBondContact O-N 3.09Å; T201-F203 VanDerWaalsContact C-N 3.31Å; T201-F203 PolarHBondContact O-N 3.32Å; F203-L207 HydrophobicContact CE1-CD2 4.21Å; F203-L207 VanDerWaalsContact O-CB 3.26Å; F203-L207 WeakPolarHBondContact O-CB 3.43Å; F203-L207 PolarHBondContact O-N 2.8Å; F203-V220 HydrophobicContact CE1-CG1 4.34Å; F203-V220 HydrophobicContact CZ-CG1 3.97Å; F203-V220 HydrophobicContact CZ-CG2 4.13Å; F203-W285 HydrophobicContact CE1-CZ2 4.07Å |
| 204 | K | 92.8 | Very high | 89.2 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 178.5 | -72.9 | 168.9 | -174.4 | 169.3 | 0 | 111.8 | S200 T201 L207 S208 | S200-K204 WeakPolarHBondContact O-CB 3.38Å; S200-K204 VanDerWaalsContact O-CG 3.25Å; S200-K204 WeakPolarHBondContact O-CG 3.29Å; S200-K204 PolarHBondContact O-N 3.39Å; T201-K204 PolarHBondContact O-N 3.34Å; T201-K204 VanDerWaalsContact O-N 3.08Å; K204-L207 PolarHBondContact O-N 2.87Å; K204-S208 WeakPolarHBondContact O-CB 3.41Å; K204-S208 PolarHBondContact O-N 3.2Å |
| 205 | D | 91.5 | Very high | 89.1 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 179.5 | -69.5 | -13.7 | 0 | 0 | 0 | 110.5 | T201 L207 S208 G209 | T201-D205 WeakPolarHBondContact O-CB 3.29Å; T201-D205 VanDerWaalsContact O-CG 3.24Å; T201-D205 PolarHBondContact O-N 2.93Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.24Å; D205-S208 PolarHBondContact O-N 3.1Å; D205-S208 VanDerWaalsContact O-N 3.15Å; D205-S208 PolarHBondContact O-OG 3.28Å; D205-G209 PolarHBondContact O-N 3.4Å |
| 206 | T | 91.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | F170 C171 L202 S208 G209 F210 | F170-T206 HydrophobicContact CD1-CG2 3.73Å; F170-T206 HydrophobicContact CE1-CG2 4.1Å; C171-T206 HydrophobicContact CB-CG2 3.78Å; L202-T206 VanDerWaalsContact O-CB 3.23Å; L202-T206 WeakPolarHBondContact O-CB 3.25Å; L202-T206 PolarHBondContact O-N 2.95Å; L202-T206 PolarHBondContact O-OG1 3.02Å; T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 PolarHBondContact O-N 2.89Å; T206-G209 PolarHBondContact O-N 3.09Å; T206-F210 HydrophobicContact CG2-CE1 3.75Å; T206-F210 HydrophobicContact CG2-CE2 4.2Å; T206-F210 HydrophobicContact CG2-CZ 3.42Å; T206-F210 VanDerWaalsContact CG2-CZ 3.42Å; T206-F210 VanDerWaalsContact O-CD1 3.27Å; T206-F210 WeakPolarHBondContact O-CD1 3.3Å; T206-F210 WeakPolarHBondContact O-CE1 3.49Å; T206-F210 WeakPolarHBondContact O-CG 3.45Å |
| 207 | L | 89.2 | Confident | 88.1 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -35.6 | 177.1 | -172.9 | 62.5 | 0 | 0 | 0 | 112.6 | F203 K204 D205 F210 M218 V283 | F203-L207 HydrophobicContact CE1-CD2 4.21Å; F203-L207 VanDerWaalsContact O-CB 3.26Å; F203-L207 WeakPolarHBondContact O-CB 3.43Å; F203-L207 PolarHBondContact O-N 2.8Å; K204-L207 PolarHBondContact O-N 2.87Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.24Å; L207-F210 HydrophobicContact CD1-CD2 3.95Å; L207-F210 HydrophobicContact CD1-CE2 4.36Å; L207-F210 PolarHBondContact O-N 2.84Å; L207-M218 HydrophobicContact CD1-CE 4.26Å; L207-V283 HydrophobicContact CD1-CG2 4.11Å; L207-V283 HydrophobicContact CD2-CG2 4.11Å; L207-V283 HydrophobicContact CG-CG2 4.25Å |
| 208 | S | 85.7 | Confident | 88 | Confident | 71 Ų | 71 | 59 Ų | 59 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.7 | -33.6 | 178.6 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | K204 D205 T206 F210 | K204-S208 WeakPolarHBondContact O-CB 3.41Å; K204-S208 PolarHBondContact O-N 3.2Å; D205-S208 PolarHBondContact O-N 3.1Å; D205-S208 VanDerWaalsContact O-N 3.15Å; D205-S208 PolarHBondContact O-OG 3.28Å; T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 PolarHBondContact O-N 2.89Å; S208-F210 PolarHBondContact O-N 3.16Å |
| 209 | G | 86.6 | Confident | 87.9 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.2 | -15.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | D205 T206 | D205-G209 PolarHBondContact O-N 3.4Å; T206-G209 PolarHBondContact O-N 3.09Å |
| 210 | F | 88.2 | Confident | 87.9 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -75.2 | 143 | -177.5 | -64.5 | -23.7 | 0 | 0 | 0 | 113.8 | F170 I174 T206 L207 S208 W214 V215 M218 | F170-F210 HydrophobicContact CD1-CZ 4.33Å; F170-F210 AromaticContact CE1-CE2 3.74Å; F170-F210 HydrophobicContact CE1-CE2 3.74Å; F170-F210 AromaticContact CE1-CZ 3.99Å; F170-F210 HydrophobicContact CE1-CZ 3.99Å; F170-F210 HydrophobicContact CZ-CE2 4.06Å; I174-F210 HydrophobicContact CB-CE1 4.26Å; I174-F210 HydrophobicContact CB-CE2 3.85Å; I174-F210 HydrophobicContact CB-CZ 3.62Å; I174-F210 HydrophobicContact CG1-CE2 3.78Å; I174-F210 HydrophobicContact CG1-CZ 3.84Å; I174-F210 HydrophobicContact CG2-CD1 4.44Å; I174-F210 HydrophobicContact CG2-CD2 3.87Å; I174-F210 HydrophobicContact CG2-CE1 4.19Å; I174-F210 HydrophobicContact CG2-CE2 3.61Å; I174-F210 HydrophobicContact CG2-CG 4.29Å; I174-F210 HydrophobicContact CG2-CZ 3.75Å; T206-F210 HydrophobicContact CG2-CE1 3.75Å; T206-F210 HydrophobicContact CG2-CE2 4.2Å; T206-F210 HydrophobicContact CG2-CZ 3.42Å; T206-F210 VanDerWaalsContact CG2-CZ 3.42Å; T206-F210 VanDerWaalsContact O-CD1 3.27Å; T206-F210 WeakPolarHBondContact O-CD1 3.3Å; T206-F210 WeakPolarHBondContact O-CE1 3.49Å; T206-F210 WeakPolarHBondContact O-CG 3.45Å; L207-F210 HydrophobicContact CD1-CD2 3.95Å; L207-F210 HydrophobicContact CD1-CE2 4.36Å; L207-F210 PolarHBondContact O-N 2.84Å; S208-F210 PolarHBondContact O-N 3.16Å; F210-W214 HydrophobicContact CB-CE3 3.98Å; F210-W214 HydrophobicContact CD1-CE3 4.04Å; F210-W214 HydrophobicContact CD1-CZ3 4.16Å; F210-W214 HydrophobicContact CG-CE3 4.21Å; F210-V215 HydrophobicContact CB-CG2 4.24Å; F210-M218 HydrophobicContact CD2-CE 4.48Å; F210-M218 HydrophobicContact CE2-CE 4.35Å |
| 211 | K | 85.6 | Confident | 88 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | trans | -64.9 | 140.1 | 177.5 | -59.6 | -179.1 | -174.8 | 173.8 | 0 | 110.6 | H213 W214 V215 | K211-H213 PolarHBondContact O-N 3.18Å; K211-W214 HydrophobicContact CB-CD2 3.89Å; K211-W214 HydrophobicContact CB-CE3 4.28Å; K211-W214 HydrophobicContact CB-CG 4.13Å; K211-W214 HydrophobicContact CD-CH2 4.16Å; K211-W214 HydrophobicContact CD-CZ2 3.69Å; K211-W214 HydrophobicContact CG-CD2 4.26Å; K211-W214 HydrophobicContact CG-CE3 4.38Å; K211-W214 HydrophobicContact CG-CH2 4.27Å; K211-W214 HydrophobicContact CG-CZ2 4.14Å; K211-W214 HydrophobicContact CG-CZ3 4.38Å; K211-W214 WeakPolarHBondContact O-CB 3.26Å; K211-W214 PolarHBondContact O-N 3.42Å; K211-V215 PolarHBondContact O-N 3.04Å | ||
| 212 | K | 81.2 | Confident | 88.1 | Confident | 169 Ų | 169 | 52.5 Ų | 52.5 | 74% | 0.735 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -49.4 | -29.7 | -179 | -68.7 | -176.2 | -179.9 | 177.7 | 0 | 115.4 | ||
| 213 | H | 78.5 | Confident | 88 | Confident | 111 Ų | 111 | 51 Ų | 51 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -82.1 | -24.5 | -179.9 | 68 | -80.8 | 0 | 0 | 0 | 113.6 | K211 | K211-H213 PolarHBondContact O-N 3.18Å |
| 214 | W | 82.3 | Confident | 87.8 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 172.6 | -59.6 | -10.8 | 0 | 0 | 0 | 109.5 | T175 S178 F210 K211 K216 N217 | T175-W214 HydrophobicContact CG2-CH2 4.44Å; S178-W214 VanDerWaalsContact CB-CD1 3.43Å; S178-W214 WeakPolarHBondContact OG-CB 3.47Å; F210-W214 HydrophobicContact CB-CE3 3.98Å; F210-W214 HydrophobicContact CD1-CE3 4.04Å; F210-W214 HydrophobicContact CD1-CZ3 4.16Å; F210-W214 HydrophobicContact CG-CE3 4.21Å; K211-W214 HydrophobicContact CB-CD2 3.89Å; K211-W214 HydrophobicContact CB-CE3 4.28Å; K211-W214 HydrophobicContact CB-CG 4.13Å; K211-W214 HydrophobicContact CD-CH2 4.16Å; K211-W214 HydrophobicContact CD-CZ2 3.69Å; K211-W214 HydrophobicContact CG-CD2 4.26Å; K211-W214 HydrophobicContact CG-CE3 4.38Å; K211-W214 HydrophobicContact CG-CH2 4.27Å; K211-W214 HydrophobicContact CG-CZ2 4.14Å; K211-W214 HydrophobicContact CG-CZ3 4.38Å; K211-W214 WeakPolarHBondContact O-CB 3.26Å; K211-W214 PolarHBondContact O-N 3.42Å; W214-K216 PolarHBondContact O-N 3.35Å; W214-K216 VanDerWaalsContact O-N 3.14Å; W214-N217 PolarHBondContact O-N 3.46Å; W214-N217 VanDerWaalsContact O-N 3.11Å |
| 215 | V | 79.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.8 | -33.2 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | F210 K211 N217 M218 S282 V283 | F210-V215 HydrophobicContact CB-CG2 4.24Å; K211-V215 PolarHBondContact O-N 3.04Å; V215-N217 PolarHBondContact O-N 2.81Å; V215-M218 PolarHBondContact O-N 2.84Å; V215-M218 VanDerWaalsContact O-N 3.11Å; V215-S282 VanDerWaalsContact CG1-C 3.46Å; V215-V283 HydrophobicContact CB-CG2 4.37Å; V215-V283 HydrophobicContact CG1-CB 3.86Å; V215-V283 HydrophobicContact CG1-CG1 4.42Å; V215-V283 HydrophobicContact CG1-CG2 3.25Å; V215-V283 HydrophobicContact CG2-CG2 4.29Å |
| 216 | K | 77.2 | Confident | 87.6 | Confident | 133 Ų | 133 | 44.6 Ų | 44.6 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.2 | -30.4 | -179.2 | -74.6 | 177.8 | -177.4 | -179.5 | 0 | 113.1 | W214 M218 R284 | W214-K216 PolarHBondContact O-N 3.35Å; W214-K216 VanDerWaalsContact O-N 3.14Å; K216-M218 VanDerWaalsContact C-N 3.3Å; K216-R284 PolarHBondContact O-NH2 2.89Å |
| 217 | N | 81.9 | Confident | 87.5 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 12.8 | 179.9 | -73.3 | -11 | 0 | 0 | 0 | 112.7 | P183 V184 W214 V215 F241 | P183-N217 WeakPolarHBondContact CA-O 3.28Å; V184-N217 PolarHBondContact N-O 2.82Å; W214-N217 PolarHBondContact O-N 3.46Å; W214-N217 VanDerWaalsContact O-N 3.11Å; V215-N217 PolarHBondContact O-N 2.81Å; N217-F241 WeakPolarHBondContact O-CE1 3.21Å |
| 218 | M | 87.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 151.1 | -179.6 | -64.6 | 171.6 | 64.5 | 0 | 0 | 112.2 | F170 I174 V184 V186 L207 F210 V215 K216 | F170-M218 HydrophobicContact CZ-CE 4.25Å; I174-M218 HydrophobicContact CD1-CE 3.52Å; I174-M218 HydrophobicContact CD1-SD 4.11Å; I174-M218 HydrophobicContact CG1-CE 3.93Å; I174-M218 HydrophobicContact CG2-CE 4.22Å; I174-M218 HydrophobicContact CG2-SD 3.77Å; V184-M218 HydrophobicContact CB-CG 4.41Å; V184-M218 VanDerWaalsContact O-CA 3.27Å; V184-M218 WeakPolarHBondContact O-CA 3.2Å; V186-M218 HydrophobicContact CG2-CE 3.95Å; L207-M218 HydrophobicContact CD1-CE 4.26Å; F210-M218 HydrophobicContact CD2-CE 4.48Å; F210-M218 HydrophobicContact CE2-CE 4.35Å; V215-M218 PolarHBondContact O-N 2.84Å; V215-M218 VanDerWaalsContact O-N 3.11Å; K216-M218 VanDerWaalsContact C-N 3.3Å |
| 219 | C | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 125.4 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | V184 V185 V186 F241 R284 | V184-C219 PolarHBondContact O-N 3.17Å; V185-C219 CarbonylContact C-O 3.59Å; V185-C219 WeakPolarHBondContact CA-O 3.3Å; V186-C219 PolarHBondContact N-O 3.38Å; C219-F241 HydrophobicContact CB-CE2 3.62Å; C219-F241 HydrophobicContact CB-CZ 3.82Å; C219-R284 CarbonylContact C-O 3.48Å; C219-R284 WeakPolarHBondContact CA-O 3.41Å; C219-R284 HydrophobicContact CB-CB 4.19Å |
| 220 | V | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.8 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | V186 T188 F203 V283 R284 W285 V286 | V186-V220 HydrophobicContact CB-CG2 4.19Å; V186-V220 CarbonylContact O-C 3.5Å; V186-V220 WeakPolarHBondContact O-CA 3.41Å; T188-V220 HydrophobicContact CG2-CG1 3.96Å; F203-V220 HydrophobicContact CE1-CG1 4.34Å; F203-V220 HydrophobicContact CZ-CG1 3.97Å; F203-V220 HydrophobicContact CZ-CG2 4.13Å; V220-V283 HydrophobicContact CG2-CG1 3.85Å; V220-R284 PolarHBondContact N-O 3.37Å; V220-W285 HydrophobicContact CB-CD2 4.42Å; V220-W285 HydrophobicContact CB-CG 4.14Å; V220-W285 HydrophobicContact CG1-CD2 4.45Å; V220-W285 HydrophobicContact CG1-CZ2 4.13Å; V220-W285 CarbonylContact O-C 3.48Å; V220-W285 WeakPolarHBondContact O-CA 3.41Å; V220-V286 PolarHBondContact O-N 2.84Å |
| 221 | V | 95.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 117.7 | 178 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | V185 V186 A187 T188 T223 N230 T233 V234 V286 | V185-V221 HydrophobicContact CG1-CG2 4.19Å; V186-V221 PolarHBondContact O-N 2.96Å; A187-V221 WeakPolarHBondContact CA-O 3.45Å; T188-V221 PolarHBondContact N-O 3.34Å; T188-V221 PolarHBondContact OG1-O 2.87Å; V221-T223 HydrophobicContact CG1-CG2 3.86Å; V221-N230 HydrophobicContact CG1-CB 3.8Å; V221-T233 HydrophobicContact CG1-CG2 4.43Å; V221-V234 HydrophobicContact CB-CG2 3.88Å; V221-V234 HydrophobicContact CG1-CG2 3.71Å; V221-V234 HydrophobicContact CG2-CG2 4.44Å; V221-V286 HydrophobicContact CB-CB 4.33Å; V221-V286 HydrophobicContact CG1-CB 4.06Å; V221-V286 HydrophobicContact CG1-CG1 4.15Å; V221-V286 HydrophobicContact CG2-CB 4.17Å; V221-V286 HydrophobicContact CG2-CG2 4.22Å |
| 222 | E | 95.7 | Very high | 88.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.6 | 172.9 | -59.7 | -174.9 | 148.9 | 0 | 0 | 110.3 | T188 H191 N230 W285 V286 Q287 Y288 | T188-E222 VanDerWaalsContact OG1-CA 3.28Å; T188-E222 WeakPolarHBondContact OG1-CA 3.34Å; H191-E222 IonicContact CE1-OE1 3.55Å; E222-N230 WeakPolarHBondContact O-CB 3.41Å; E222-N230 PolarHBondContact O-ND2 2.92Å; E222-W285 HydrophobicContact CG-CH2 4.32Å; E222-W285 HydrophobicContact CG-CZ3 4.06Å; E222-W285 WeakPolarHBondContact OE1-CH2 3.32Å; E222-W285 WeakPolarHBondContact OE1-CZ3 3.21Å; E222-V286 PolarHBondContact N-O 2.82Å; E222-Q287 VanDerWaalsContact OE2-CA 3.28Å; E222-Q287 WeakPolarHBondContact OE2-CA 3.35Å; E222-Q287 WeakPolarHBondContact OE2-CG 3.42Å; E222-Y288 WeakPolarHBondContact OE2-CB 3.28Å; E222-Y288 PolarHBondContact OE2-N 3.23Å |
| 223 | T | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -137.4 | 146.8 | -169.8 | 57.1 | 0 | 0 | 0 | 0 | 112 | T188 S189 K190 H191 V221 V229 N230 V234 | T188-T223 PolarHBondContact O-N 2.95Å; T188-T223 PolarHBondContact O-OG1 3.49Å; S189-T223 CarbonylContact C-O 3.58Å; S189-T223 WeakPolarHBondContact CA-O 3.49Å; K190-T223 PolarHBondContact N-O 3.31Å; H191-T223 PolarHBondContact CD2-O 2.99Å; H191-T223 PolarHBondContact N-O 3.1Å; V221-T223 HydrophobicContact CG1-CG2 3.86Å; T223-V229 WeakPolarHBondContact CA-O 3.4Å; T223-N230 HydrophobicContact CG2-CB 3.95Å; T223-V234 HydrophobicContact CG2-CG2 3.42Å; T223-V234 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 224 | S | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -114.6 | 106.6 | 154 | 171.3 | 0 | 0 | 0 | 0 | 106.9 | D192 L226 L227 N228 V229 | D192-S224 VanDerWaalsContact CB-OG 3.26Å; D192-S224 WeakPolarHBondContact CB-OG 3.38Å; D192-S224 WeakPolarHBondContact OD1-CB 3.47Å; D192-S224 PolarHBondContact OD1-OG 3.23Å; S224-L226 PolarHBondContact O-N 3.16Å; S224-L227 PolarHBondContact O-N 2.74Å; S224-L227 WeakPolarHBondContact OG-CB 3.33Å; S224-L227 WeakPolarHBondContact OG-CG 3.39Å; S224-L227 PolarHBondContact OG-N 3.23Å; S224-N228 WeakPolarHBondContact O-CA 3.35Å; S224-N228 PolarHBondContact O-N 3Å; S224-V229 PolarHBondContact N-O 3.09Å; S224-V229 PolarHBondContact O-N 3.44Å |
| 225 | S | 90.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -40.8 | 172.4 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | L32 R35 L227 N228 | L32-S225 WeakPolarHBondContact CA-OG 3.4Å; L32-S225 WeakPolarHBondContact CB-OG 3.23Å; L32-S225 WeakPolarHBondContact CD1-OG 3.41Å; R35-S225 WeakPolarHBondContact CG-O 3.14Å; R35-S225 PolarHBondContact NE-O 3.07Å; R35-S225 VanDerWaalsContact NE-O 3.12Å; S225-L227 PolarHBondContact O-N 3.29Å; S225-N228 PolarHBondContact O-N 3.04Å |
| 226 | L | 89 | Confident | 91.9 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 31% | 0.309 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -39.2 | 178.1 | -175.9 | 63.6 | 0 | 0 | 0 | 112.6 | R35 F42 E44 D192 S224 | R35-L226 PolarHBondContact NH2-O 2.96Å; F42-L226 HydrophobicContact CE2-CD1 4.19Å; F42-L226 HydrophobicContact CZ-CD1 4.18Å; E44-L226 HydrophobicContact CG-CD1 3.85Å; E44-L226 WeakPolarHBondContact OE1-CD1 3.21Å; D192-L226 WeakPolarHBondContact OD2-CB 3.35Å; D192-L226 VanDerWaalsContact OD2-CD2 3.25Å; D192-L226 WeakPolarHBondContact OD2-CD2 3.22Å; S224-L226 PolarHBondContact O-N 3.16Å |
| 227 | L | 89.4 | Confident | 92.7 | Very high | 73 Ų | 73 | 25.7 Ų | 25.7 | 38% | 0.382 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.7 | 179.4 | -58.6 | -179.2 | 0 | 0 | 0 | 113.4 | D192 S224 S225 V229 | D192-L227 HydrophobicContact CB-CD1 3.64Å; D192-L227 HydrophobicContact CB-CG 3.84Å; S224-L227 PolarHBondContact O-N 2.74Å; S224-L227 WeakPolarHBondContact OG-CB 3.33Å; S224-L227 WeakPolarHBondContact OG-CG 3.39Å; S224-L227 PolarHBondContact OG-N 3.23Å; S225-L227 PolarHBondContact O-N 3.29Å; L227-V229 HydrophobicContact CB-CG2 3.96Å; L227-V229 PolarHBondContact O-N 3.37Å |
| 228 | N | 91.2 | Very high | 93.4 | Very high | 62 Ų | 62 | 23.1 Ų | 23.1 | 33% | 0.332 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 32.4 | -176 | -161.2 | 10.9 | 0 | 0 | 0 | 113.8 | R35 S224 S225 | R35-N228 HydrophobicContact CG-CB 3.82Å; R35-N228 WeakPolarHBondContact CG-OD1 3.46Å; S224-N228 WeakPolarHBondContact O-CA 3.35Å; S224-N228 PolarHBondContact O-N 3Å; S225-N228 PolarHBondContact O-N 3.04Å |
| 229 | V | 90.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.218 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 127 | 179.8 | 179 | 0 | 0 | 0 | 0 | 109 | T223 S224 L227 V231 Y288 | T223-V229 WeakPolarHBondContact CA-O 3.4Å; S224-V229 PolarHBondContact N-O 3.09Å; S224-V229 PolarHBondContact O-N 3.44Å; L227-V229 HydrophobicContact CB-CG2 3.96Å; L227-V229 PolarHBondContact O-N 3.37Å; V229-V231 PolarHBondContact O-N 3.34Å; V229-Y288 HydrophobicContact CB-CD2 4.14Å; V229-Y288 HydrophobicContact CB-CE2 3.53Å; V229-Y288 HydrophobicContact CG1-CD2 3.59Å; V229-Y288 HydrophobicContact CG1-CE2 3.44Å; V229-Y288 VanDerWaalsContact CG1-CE2 3.44Å; V229-Y288 HydrophobicContact CG1-CG 4.5Å; V229-Y288 HydrophobicContact CG2-CE2 3.91Å |
| 230 | N | 94.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 57.6 | 4.2 | 179.4 | -69.3 | -27.9 | 0 | 0 | 0 | 116.2 | V221 E222 T223 K232 T233 V234 Q287 | V221-N230 HydrophobicContact CG1-CB 3.8Å; E222-N230 WeakPolarHBondContact O-CB 3.41Å; E222-N230 PolarHBondContact O-ND2 2.92Å; T223-N230 HydrophobicContact CG2-CB 3.95Å; N230-K232 PolarHBondContact O-N 2.72Å; N230-T233 WeakPolarHBondContact O-CA 3.39Å; N230-T233 WeakPolarHBondContact O-CB 3.48Å; N230-T233 PolarHBondContact O-N 3.4Å; N230-V234 PolarHBondContact O-N 3.44Å; N230-Q287 PolarHBondContact ND2-O 3.24Å; N230-Q287 VanDerWaalsContact ND2-O 3.07Å |
| 231 | V | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54 | -53.6 | 177 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L32 R35 F36 V229 T233 V234 F235 | L32-V231 HydrophobicContact CD1-CB 4.3Å; L32-V231 HydrophobicContact CD1-CG1 4Å; L32-V231 HydrophobicContact CD1-CG2 3.96Å; L32-V231 WeakPolarHBondContact O-CG1 3.43Å; R35-V231 HydrophobicContact CB-CG1 4.22Å; R35-V231 HydrophobicContact CG-CB 4.46Å; R35-V231 HydrophobicContact CG-CG1 4.22Å; R35-V231 HydrophobicContact CG-CG2 4.06Å; F36-V231 HydrophobicContact CB-CG1 3.83Å; V229-V231 PolarHBondContact O-N 3.34Å; V231-T233 PolarHBondContact O-N 2.94Å; V231-V234 WeakPolarHBondContact O-CB 3.28Å; V231-V234 PolarHBondContact O-N 3.47Å; V231-V234 VanDerWaalsContact O-N 3.13Å; V231-F235 HydrophobicContact CG1-CD2 4.44Å; V231-F235 HydrophobicContact CG1-CE2 4.26Å; V231-F235 WeakPolarHBondContact O-CD2 3.47Å; V231-F235 PolarHBondContact O-N 2.9Å |
| 232 | K | 94.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 23.5 Ų | 23.5 | 52% | 0.517 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.2 | -34.2 | 176.1 | -173.5 | 175 | -177.5 | 172.1 | 0 | 112.6 | N230 F235 Q236 | N230-K232 PolarHBondContact O-N 2.72Å; K232-F235 PolarHBondContact O-N 3.44Å; K232-Q236 HydrophobicContact CG-CG 4.32Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 VanDerWaalsContact O-CG 3.3Å; K232-Q236 WeakPolarHBondContact O-CG 3.5Å; K232-Q236 PolarHBondContact O-N 2.93Å |
| 233 | T | 94.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 179.3 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | V221 N230 V231 F235 Q236 C237 M273 V286 | V221-T233 HydrophobicContact CG1-CG2 4.43Å; N230-T233 WeakPolarHBondContact O-CA 3.39Å; N230-T233 WeakPolarHBondContact O-CB 3.48Å; N230-T233 PolarHBondContact O-N 3.4Å; V231-T233 PolarHBondContact O-N 2.94Å; T233-F235 PolarHBondContact O-N 3.07Å; T233-Q236 PolarHBondContact O-N 3.29Å; T233-C237 WeakPolarHBondContact O-CB 3.45Å; T233-C237 PolarHBondContact O-N 3.4Å; T233-C237 PolarHBondContact O-SG 2.95Å; T233-M273 HydrophobicContact CG2-CE 3.91Å; T233-M273 HydrophobicContact CG2-SD 4.45Å; T233-V286 HydrophobicContact CG2-CG1 4.24Å; T233-V286 HydrophobicContact CG2-CG2 4.42Å |
| 234 | V | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.1 | -53.5 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | V151 V185 A187 V221 T223 N230 V231 C237 A238 | V151-V234 HydrophobicContact CG1-CG1 3.7Å; V151-V234 HydrophobicContact CG2-CG1 4.09Å; V185-V234 HydrophobicContact CG1-CG1 4.02Å; A187-V234 HydrophobicContact CB-CG1 4.16Å; A187-V234 HydrophobicContact CB-CG2 3.92Å; V221-V234 HydrophobicContact CB-CG2 3.88Å; V221-V234 HydrophobicContact CG1-CG2 3.71Å; V221-V234 HydrophobicContact CG2-CG2 4.44Å; T223-V234 HydrophobicContact CG2-CG2 3.42Å; T223-V234 VanDerWaalsContact CG2-CG2 3.42Å; N230-V234 PolarHBondContact O-N 3.44Å; V231-V234 WeakPolarHBondContact O-CB 3.28Å; V231-V234 PolarHBondContact O-N 3.47Å; V231-V234 VanDerWaalsContact O-N 3.13Å; V234-C237 WeakPolarHBondContact O-CB 3.37Å; V234-C237 PolarHBondContact O-N 3.41Å; V234-A238 WeakPolarHBondContact O-CB 3.2Å; V234-A238 PolarHBondContact O-N 2.89Å |
| 235 | F | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.9 | -29.8 | -176.7 | -68 | -83.1 | 0 | 0 | 0 | 113.1 | I11 V13 L32 I33 F36 V73 V84 V231 K232 T233 A239 | I11-F235 HydrophobicContact CD1-CD1 3.92Å; V13-F235 HydrophobicContact CG2-CE1 4.38Å; L32-F235 HydrophobicContact CG-CE2 4.12Å; L32-F235 HydrophobicContact CG-CZ 4.42Å; I33-F235 HydrophobicContact CG1-CZ 4.17Å; F36-F235 HydrophobicContact CB-CD2 3.47Å; F36-F235 VanDerWaalsContact CB-CD2 3.47Å; F36-F235 HydrophobicContact CB-CE2 3.32Å; F36-F235 HydrophobicContact CB-CG 4.27Å; F36-F235 HydrophobicContact CB-CZ 4Å; F36-F235 HydrophobicContact CD1-CB 4.31Å; F36-F235 AromaticContact CD1-CD1 3.78Å; F36-F235 HydrophobicContact CD1-CD1 3.78Å; F36-F235 AromaticContact CD1-CD2 3.79Å; F36-F235 HydrophobicContact CD1-CD2 3.79Å; F36-F235 AromaticContact CD1-CE1 3.99Å; F36-F235 HydrophobicContact CD1-CE1 3.99Å; F36-F235 HydrophobicContact CD1-CE2 4Å; F36-F235 AromaticContact CD1-CG 3.68Å; F36-F235 HydrophobicContact CD1-CG 3.68Å; F36-F235 HydrophobicContact CD1-CZ 4.1Å; F36-F235 HydrophobicContact CD2-CB 3.74Å; F36-F235 AromaticContact CD2-CD2 3.48Å; F36-F235 HydrophobicContact CD2-CD2 3.48Å; F36-F235 VanDerWaalsContact CD2-CD2 3.48Å; F36-F235 HydrophobicContact CD2-CE2 4.25Å; F36-F235 AromaticContact CD2-CG 3.69Å; F36-F235 HydrophobicContact CD2-CG 3.69Å; F36-F235 HydrophobicContact CE1-CB 4.11Å; F36-F235 AromaticContact CE1-CD1 3.92Å; F36-F235 HydrophobicContact CE1-CD1 3.92Å; F36-F235 HydrophobicContact CE1-CD2 4.42Å; F36-F235 HydrophobicContact CE1-CE1 4.48Å; F36-F235 AromaticContact CE1-CG 3.89Å; F36-F235 HydrophobicContact CE1-CG 3.89Å; F36-F235 HydrophobicContact CE2-CB 3.51Å; F36-F235 HydrophobicContact CE2-CD2 4.16Å; F36-F235 AromaticContact CE2-CG 3.9Å; F36-F235 HydrophobicContact CE2-CG 3.9Å; F36-F235 HydrophobicContact CG-CB 4.15Å; F36-F235 HydrophobicContact CG-CD1 4.14Å; F36-F235 AromaticContact CG-CD2 3.26Å; F36-F235 HydrophobicContact CG-CD2 3.26Å; F36-F235 HydrophobicContact CG-CE1 4.4Å; F36-F235 AromaticContact CG-CE2 3.59Å; F36-F235 HydrophobicContact CG-CE2 3.59Å; F36-F235 AromaticContact CG-CG 3.58Å; F36-F235 HydrophobicContact CG-CG 3.58Å; F36-F235 HydrophobicContact CG-CZ 4.16Å; F36-F235 HydrophobicContact CZ-CB 3.71Å; F36-F235 HydrophobicContact CZ-CD1 4.39Å; F36-F235 HydrophobicContact CZ-CG 4Å; V73-F235 HydrophobicContact CG1-CB 4.35Å; V84-F235 HydrophobicContact CG1-CE1 4.05Å; V84-F235 HydrophobicContact CG2-CD1 4.25Å; V84-F235 HydrophobicContact CG2-CE1 4.06Å; V231-F235 HydrophobicContact CG1-CD2 4.44Å; V231-F235 HydrophobicContact CG1-CE2 4.26Å; V231-F235 WeakPolarHBondContact O-CD2 3.47Å; V231-F235 PolarHBondContact O-N 2.9Å; K232-F235 PolarHBondContact O-N 3.44Å; T233-F235 PolarHBondContact O-N 3.07Å; F235-A239 VanDerWaalsContact O-CB 3.29Å; F235-A239 WeakPolarHBondContact O-CB 3.46Å; F235-A239 PolarHBondContact O-N 3.14Å |
| 236 | Q | 94.7 | Very high | 91 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 168.6 | -78.9 | 174 | -32 | 0 | 0 | 111.8 | V73 N74 V75 K232 T233 V240 | V73-Q236 HydrophobicContact CB-CG 3.96Å; V73-Q236 HydrophobicContact CG1-CG 4.38Å; V73-Q236 HydrophobicContact CG2-CG 4.48Å; N74-Q236 PolarHBondContact O-NE2 2.95Å; V75-Q236 HydrophobicContact CG2-CB 4.14Å; V75-Q236 HydrophobicContact CG2-CG 4.08Å; K232-Q236 HydrophobicContact CG-CG 4.32Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 VanDerWaalsContact O-CG 3.3Å; K232-Q236 WeakPolarHBondContact O-CG 3.5Å; K232-Q236 PolarHBondContact O-N 2.93Å; T233-Q236 PolarHBondContact O-N 3.29Å; Q236-V240 WeakPolarHBondContact O-CG2 3.4Å; Q236-V240 PolarHBondContact O-N 3.33Å; Q236-V240 VanDerWaalsContact O-N 3.16Å |
| 237 | C | 94.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.054 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 174.6 | -69.4 | 0 | 0 | 0 | 0 | 109.9 | V185 T233 V234 A239 V240 F241 | V185-C237 HydrophobicContact CG1-CB 4.29Å; V185-C237 HydrophobicContact CG2-CB 4.01Å; T233-C237 WeakPolarHBondContact O-CB 3.45Å; T233-C237 PolarHBondContact O-N 3.4Å; T233-C237 PolarHBondContact O-SG 2.95Å; V234-C237 WeakPolarHBondContact O-CB 3.37Å; V234-C237 PolarHBondContact O-N 3.41Å; C237-A239 VanDerWaalsContact C-N 3.32Å; C237-A239 PolarHBondContact O-N 3.44Å; C237-V240 PolarHBondContact O-N 2.86Å; C237-V240 VanDerWaalsContact O-N 3.1Å; C237-F241 VanDerWaalsContact O-CD2 3.27Å; C237-F241 WeakPolarHBondContact O-CD2 3.22Å; C237-F241 PolarHBondContact O-N 3.02Å |
| 238 | A | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55 | -47.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 V149 V151 V185 V234 V240 F241 G242 | I11-A238 HydrophobicContact CD1-CB 3.76Å; I11-A238 HydrophobicContact CG1-CB 4.22Å; I11-A238 HydrophobicContact CG2-CB 4.29Å; V149-A238 HydrophobicContact CG1-CB 3.96Å; V149-A238 WeakPolarHBondContact CG1-O 3.35Å; V149-A238 HydrophobicContact CG2-CB 4.32Å; V151-A238 HydrophobicContact CG2-CB 3.9Å; V185-A238 HydrophobicContact CG2-CB 4.17Å; V234-A238 WeakPolarHBondContact O-CB 3.2Å; V234-A238 PolarHBondContact O-N 2.89Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.12Å; A238-F241 PolarHBondContact O-N 3.33Å; A238-G242 PolarHBondContact O-N 2.78Å |
| 239 | A | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V73 L80 V82 F235 C237 H243 | V73-A239 HydrophobicContact CG2-CB 3.37Å; L80-A239 HydrophobicContact CB-CB 4.25Å; L80-A239 HydrophobicContact CD1-CB 3.94Å; V82-A239 HydrophobicContact CG1-CB 3.6Å; F235-A239 VanDerWaalsContact O-CB 3.29Å; F235-A239 WeakPolarHBondContact O-CB 3.46Å; F235-A239 PolarHBondContact O-N 3.14Å; C237-A239 VanDerWaalsContact C-N 3.32Å; C237-A239 PolarHBondContact O-N 3.44Å; A239-H243 WeakPolarHBondContact O-CB 3.47Å; A239-H243 PolarHBondContact O-N 3.16Å |
| 240 | V | 90.2 | Very high | 84.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V75 L80 Q236 C237 A238 H243 H244 | V75-V240 HydrophobicContact CB-CG2 4.31Å; V75-V240 HydrophobicContact CG1-CG2 3.71Å; V75-V240 HydrophobicContact CG2-CG2 4.05Å; L80-V240 HydrophobicContact CD1-CG2 4.41Å; Q236-V240 WeakPolarHBondContact O-CG2 3.4Å; Q236-V240 PolarHBondContact O-N 3.33Å; Q236-V240 VanDerWaalsContact O-N 3.16Å; C237-V240 PolarHBondContact O-N 2.86Å; C237-V240 VanDerWaalsContact O-N 3.1Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.12Å; V240-H243 PolarHBondContact O-N 2.85Å; V240-H244 PolarHBondContact O-CD2 2.64Å; V240-H244 PolarHBondContact O-N 3.04Å |
| 241 | F | 90.1 | Very high | 81.4 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 179.5 | -87.9 | -88.5 | 0 | 0 | 0 | 112.4 | V149 P183 V185 N217 C219 C237 A238 H244 K245 L252 | V149-F241 HydrophobicContact CG2-CB 4.07Å; P183-F241 HydrophobicContact CB-CB 3.9Å; P183-F241 HydrophobicContact CB-CD1 3.42Å; P183-F241 VanDerWaalsContact CB-CD1 3.42Å; P183-F241 HydrophobicContact CB-CE1 4.22Å; P183-F241 HydrophobicContact CB-CG 4.06Å; P183-F241 HydrophobicContact CG-CB 4.23Å; V185-F241 HydrophobicContact CG2-CD2 4.14Å; V185-F241 HydrophobicContact CG2-CE2 4.44Å; N217-F241 WeakPolarHBondContact O-CE1 3.21Å; C219-F241 HydrophobicContact CB-CE2 3.62Å; C219-F241 HydrophobicContact CB-CZ 3.82Å; C237-F241 VanDerWaalsContact O-CD2 3.27Å; C237-F241 WeakPolarHBondContact O-CD2 3.22Å; C237-F241 PolarHBondContact O-N 3.02Å; A238-F241 PolarHBondContact O-N 3.33Å; F241-H244 PolarHBondContact O-N 2.83Å; F241-K245 PolarHBondContact O-N 3.04Å; F241-L252 HydrophobicContact CD1-CD1 3.94Å; F241-L252 HydrophobicContact CE1-CD1 4.16Å; F241-L252 HydrophobicContact CG-CD1 4.47Å |
| 242 | G | 90.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A238 H244 K245 R246 | A238-G242 PolarHBondContact O-N 2.78Å; G242-H244 PolarHBondContact O-N 3.21Å; G242-K245 PolarHBondContact O-N 3.39Å; G242-R246 PolarHBondContact O-N 3.1Å |
| 243 | H | 86.3 | Confident | 75.6 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -45 | 173.8 | 178.4 | -83.4 | 0 | 0 | 0 | 112.2 | F3 T6 V9 A239 V240 K245 R246 A247 | F3-H243 AromaticContact CD1-CE1 3.49Å; F3-H243 VanDerWaalsContact CD1-CE1 3.49Å; F3-H243 WeakPolarHBondContact CD1-CE1 3.4Å; F3-H243 AromaticContact CD1-ND1 3.72Å; F3-H243 AromaticContact CD1-NE2 3.68Å; F3-H243 AromaticContact CE1-CE1 3.98Å; F3-H243 AromaticContact CE1-ND1 3.78Å; T6-H243 WeakPolarHBondContact CG2-CD2 3.49Å; T6-H243 WeakPolarHBondContact CG2-NE2 3.18Å; V9-H243 HydrophobicContact CG2-CB 4.18Å; A239-H243 WeakPolarHBondContact O-CB 3.47Å; A239-H243 PolarHBondContact O-N 3.16Å; V240-H243 PolarHBondContact O-N 2.85Å; H243-K245 VanDerWaalsContact C-N 3.34Å; H243-K245 PolarHBondContact O-N 3.24Å; H243-R246 PolarHBondContact O-N 3.35Å; H243-A247 WeakPolarHBondContact O-CB 3.37Å; H243-A247 PolarHBondContact O-N 2.92Å |
| 244 | H | 82.6 | Confident | 72.8 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.5 | -82.1 | -63.5 | 0 | 0 | 0 | 113.2 | V240 F241 G242 A247 N248 K249 L252 | V240-H244 PolarHBondContact O-CD2 2.64Å; V240-H244 PolarHBondContact O-N 3.04Å; F241-H244 PolarHBondContact O-N 2.83Å; G242-H244 PolarHBondContact O-N 3.21Å; H244-A247 PolarHBondContact O-N 3.25Å; H244-N248 PolarHBondContact O-N 3.19Å; H244-K249 PolarHBondContact O-N 2.86Å; H244-L252 HydrophobicContact CB-CD1 4.2Å |
| 245 | K | 82.8 | Confident | 69.7 | Low | 38 Ų | 38 | 59.1 Ų | 59.1 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -174.3 | -164 | 175.3 | -154.9 | 0 | 110.9 | V147 D148 F182 P183 F241 G242 H243 A247 N248 | V147-K245 PolarHBondContact O-NZ 2.92Å; D148-K245 WeakPolarHBondContact O-CD 3.36Å; D148-K245 PolarHBondContact O-NZ 3.26Å; F182-K245 VanDerWaalsContact CD1-NZ 3.29Å; P183-K245 HydrophobicContact CG-CB 4.35Å; P183-K245 HydrophobicContact CG-CD 4.25Å; F241-K245 PolarHBondContact O-N 3.04Å; G242-K245 PolarHBondContact O-N 3.39Å; H243-K245 VanDerWaalsContact C-N 3.34Å; H243-K245 PolarHBondContact O-N 3.24Å; K245-A247 VanDerWaalsContact C-N 3.33Å; K245-A247 PolarHBondContact O-N 3.31Å; K245-N248 PolarHBondContact O-N 3.14Å |
| 246 | R | 75.9 | Confident | 66.6 | Low | 135 Ų | 135 | 61.4 Ų | 61.4 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 178.6 | -164.9 | 172 | -170.3 | 142.9 | -4.2 | 113 | K8 D148 G242 H243 N248 | K8-R246 PolarHBondContact O-NH1 2.88Å; D148-R246 IonicContact OD2-NH1 3.45Å; D148-R246 PolarHBondContact OD2-NH1 2.96Å; G242-R246 PolarHBondContact O-N 3.1Å; H243-R246 PolarHBondContact O-N 3.35Å; R246-N248 PolarHBondContact O-N 3.17Å; R246-N248 VanDerWaalsContact O-N 3.14Å |
| 247 | A | 66.7 | Low | 63.8 | Low | 41 Ų | 41 | 60.2 Ų | 60.2 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H243 H244 K245 K249 | H243-A247 WeakPolarHBondContact O-CB 3.37Å; H243-A247 PolarHBondContact O-N 2.92Å; H244-A247 PolarHBondContact O-N 3.25Å; K245-A247 VanDerWaalsContact C-N 3.33Å; K245-A247 PolarHBondContact O-N 3.31Å; A247-K249 HydrophobicContact CB-CB 4.36Å; A247-K249 HydrophobicContact CB-CD 4.5Å; A247-K249 HydrophobicContact CB-CG 4.5Å; A247-K249 PolarHBondContact O-N 2.9Å |
| 248 | N | 60.3 | Low | 60.7 | Low | 119 Ų | 119 | 66.6 Ų | 66.6 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 14.9 | -171.8 | -99 | -21 | 0 | 0 | 0 | 114.3 | H244 K245 R246 Y250 | H244-N248 PolarHBondContact O-N 3.19Å; K245-N248 PolarHBondContact O-N 3.14Å; R246-N248 PolarHBondContact O-N 3.17Å; R246-N248 VanDerWaalsContact O-N 3.14Å; N248-Y250 PolarHBondContact O-N 2.95Å |
| 249 | K | 48.3 | Very low | 57.3 | Low | 146 Ų | 146 | 72.8 Ų | 72.8 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | trans | -93 | 75 | 179.7 | -76.4 | 174.5 | -176.2 | 171 | 0 | 107.9 | H244 A247 K251 | H244-K249 PolarHBondContact O-N 2.86Å; A247-K249 HydrophobicContact CB-CB 4.36Å; A247-K249 HydrophobicContact CB-CD 4.5Å; A247-K249 HydrophobicContact CB-CG 4.5Å; A247-K249 PolarHBondContact O-N 2.9Å; K249-K251 PolarHBondContact O-N 3.38Å | ||
| 250 | Y | 43.2 | Very low | 54.4 | Low | 142 Ų | 142 | 73.9 Ų | 73.9 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | trans | -61.9 | -7.8 | 179.5 | -72 | -80.2 | 0 | 0 | 0 | 114.9 | N248 L252 | N248-Y250 PolarHBondContact O-N 2.95Å; Y250-L252 PolarHBondContact O-N 3.24Å; Y250-L252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | K | 34.1 | Very low | 51.6 | Low | 177 Ų | 177 | 76.5 Ų | 76.5 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | trans | -85.9 | 80.4 | 172.8 | -77.7 | -177.3 | 178.1 | 175.8 | 0 | 110.5 | K249 H253 | K249-K251 PolarHBondContact O-N 3.38Å; K251-H253 VanDerWaalsContact C-N 3.28Å; K251-H253 PolarHBondContact O-N 3.35Å | ||
| 252 | L | 37.8 | Very low | 48.5 | Very low | 39 Ų | 39 | 85.5 Ų | 85.5 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | trans | -67.2 | 90.9 | 163.2 | -128.1 | 150.8 | 0 | 0 | 0 | 107.3 | F241 H244 Y250 T254 | F241-L252 HydrophobicContact CD1-CD1 3.94Å; F241-L252 HydrophobicContact CE1-CD1 4.16Å; F241-L252 HydrophobicContact CG-CD1 4.47Å; H244-L252 HydrophobicContact CB-CD1 4.2Å; Y250-L252 PolarHBondContact O-N 3.24Å; Y250-L252 VanDerWaalsContact O-N 3.13Å; L252-T254 PolarHBondContact O-N 2.98Å; L252-T254 VanDerWaalsContact O-N 3.08Å | ||
| 253 | H | 31.1 | Very low | 45.2 | Very low | 131 Ų | 131 | 92.2 Ų | 92.2 | 61% | 0.606 | 43% | 0.429 | S | S | * | . | trans | -58 | 118.2 | 174.4 | -86.2 | -82.4 | 0 | 0 | 0 | 107.9 | K251 G255 L256 | K251-H253 VanDerWaalsContact C-N 3.28Å; K251-H253 PolarHBondContact O-N 3.35Å; H253-G255 PolarHBondContact O-N 3.17Å; H253-L256 PolarHBondContact O-N 3.15Å | ||
| 254 | T | 34.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 95.5 Ų | 95.5 | 74% | 0.736 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -18.6 | 178.4 | 45.4 | 0 | 0 | 0 | 0 | 114.1 | L252 | L252-T254 PolarHBondContact O-N 2.98Å; L252-T254 VanDerWaalsContact O-N 3.08Å |
| 255 | G | 31.6 | Very low | 39.3 | Very low | 38 Ų | 38 | 99.4 Ų | 99.4 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.6 | -25.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H253 R258 Y259 | H253-G255 PolarHBondContact O-N 3.17Å; G255-R258 PolarHBondContact O-N 2.82Å; G255-Y259 WeakPolarHBondContact O-CB 3.37Å; G255-Y259 PolarHBondContact O-N 3.28Å |
| 256 | L | 34.2 | Very low | 36.5 | Very low | 48 Ų | 48 | 104.8 Ų | 104.8 | 25% | 0.251 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.2 | -46.4 | -170.5 | -91.2 | 165.6 | 0 | 0 | 0 | 112.9 | M1 H253 Y259 S260 | M1-L256 HydrophobicContact CE-CD1 3.95Å; M1-L256 HydrophobicContact CE-CD2 3.41Å; M1-L256 VanDerWaalsContact CE-CD2 3.41Å; M1-L256 HydrophobicContact CE-CG 4.32Å; M1-L256 HydrophobicContact CG-CD2 4.39Å; M1-L256 HydrophobicContact SD-CD2 3.4Å; M1-L256 WeakPolarHBondContact SD-CD2 3.22Å; H253-L256 PolarHBondContact O-N 3.15Å; L256-Y259 PolarHBondContact O-N 3.01Å; L256-S260 WeakPolarHBondContact O-CA 3.08Å; L256-S260 VanDerWaalsContact O-CB 3.23Å; L256-S260 WeakPolarHBondContact O-CB 3.43Å; L256-S260 PolarHBondContact O-N 2.91Å; L256-S260 PolarHBondContact O-OG 2.97Å |
| 257 | L | 36 | Very low | 34 | Very low | 16 Ų | 16 | 107.1 Ų | 107.1 | 8% | 0.084 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -71.4 | -32 | 173.5 | -74.6 | 172.3 | 0 | 0 | 0 | 112.8 | Y259 S260 F275 | L257-Y259 VanDerWaalsContact C-N 3.3Å; L257-Y259 PolarHBondContact O-N 3.12Å; L257-S260 PolarHBondContact O-N 2.99Å; L257-F275 HydrophobicContact CB-CZ 3.98Å; L257-F275 WeakPolarHBondContact O-CE2 3.29Å |
| 258 | R | 27.9 | Very low | 31.8 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -37.5 | 172.4 | -78 | -167.4 | -166.7 | 159 | 9.9 | 112.3 | G255 F275 | G255-R258 PolarHBondContact O-N 2.82Å; R258-F275 HydrophobicContact CG-CD2 4.42Å |
| 259 | Y | 25.4 | Very low | 30 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -82.6 | -26 | 177.7 | -155.5 | -92.8 | 0 | 0 | 0 | 111.6 | G255 L256 L257 L261 R262 K263 | G255-Y259 WeakPolarHBondContact O-CB 3.37Å; G255-Y259 PolarHBondContact O-N 3.28Å; L256-Y259 PolarHBondContact O-N 3.01Å; L257-Y259 VanDerWaalsContact C-N 3.3Å; L257-Y259 PolarHBondContact O-N 3.12Å; Y259-L261 PolarHBondContact O-N 2.86Å; Y259-R262 PolarHBondContact O-N 3.06Å; Y259-K263 HydrophobicContact CD1-CD 4.43Å; Y259-K263 HydrophobicContact CD1-CG 4.42Å; Y259-K263 HydrophobicContact CE1-CB 4.42Å; Y259-K263 HydrophobicContact CE1-CD 3.55Å; Y259-K263 HydrophobicContact CE1-CG 4Å; Y259-K263 HydrophobicContact CE2-CD 4.02Å; Y259-K263 VanDerWaalsContact CE2-CE 3.42Å; Y259-K263 VanDerWaalsContact OH-CD 3.32Å; Y259-K263 WeakPolarHBondContact OH-CD 2.89Å; Y259-K263 WeakPolarHBondContact OH-CE 3.03Å; Y259-K263 PolarHBondContact OH-NZ 2.88Å |
| 260 | S | 33.1 | Very low | 28.8 | Very low | 22 Ų | 22 | 119 Ų | 119 | 15% | 0.154 | 57% | 0.57 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.1 | -18 | -178.6 | -79.7 | 0 | 0 | 0 | 0 | 114.7 | N76 L256 L257 | N76-S260 VanDerWaalsContact CG-OG 3.29Å; N76-S260 WeakPolarHBondContact ND2-CA 3.38Å; N76-S260 PolarHBondContact ND2-OG 3.28Å; N76-S260 WeakPolarHBondContact OD1-CA 3.48Å; N76-S260 WeakPolarHBondContact OD1-CB 3.35Å; N76-S260 PolarHBondContact OD1-O 3.11Å; N76-S260 PolarHBondContact OD1-OG 3.46Å; L256-S260 WeakPolarHBondContact O-CA 3.08Å; L256-S260 VanDerWaalsContact O-CB 3.23Å; L256-S260 WeakPolarHBondContact O-CB 3.43Å; L256-S260 PolarHBondContact O-N 2.91Å; L256-S260 PolarHBondContact O-OG 2.97Å; L257-S260 PolarHBondContact O-N 2.99Å |
| 261 | L | 31 | Very low | 27.8 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 34% | 0.335 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.4 | 5.2 | -170.5 | -68.1 | 152.4 | 0 | 0 | 0 | 113.6 | Y259 M273 F275 | Y259-L261 PolarHBondContact O-N 2.86Å; L261-M273 HydrophobicContact CB-CB 4.18Å; L261-M273 HydrophobicContact CB-SD 4.39Å; L261-M273 HydrophobicContact CD1-CB 3.88Å; L261-M273 HydrophobicContact CD1-CE 3.34Å; L261-M273 HydrophobicContact CD1-CG 4.05Å; L261-M273 HydrophobicContact CD1-SD 3.16Å; L261-M273 WeakPolarHBondContact CD1-SD 3.44Å; L261-M273 HydrophobicContact CD2-CG 4.23Å; L261-M273 HydrophobicContact CD2-SD 3.26Å; L261-M273 WeakPolarHBondContact CD2-SD 2.77Å; L261-M273 HydrophobicContact CG-CB 4.43Å; L261-M273 HydrophobicContact CG-CE 4.46Å; L261-M273 HydrophobicContact CG-CG 4.45Å; L261-M273 HydrophobicContact CG-SD 3.67Å; L261-F275 HydrophobicContact CD1-CE2 3.73Å; L261-F275 HydrophobicContact CD1-CZ 3.84Å |
| 262 | R | 24 | Very low | 27.3 | Very low | 193 Ų | 193 | 115.6 Ų | 115.6 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -3.3 | 177.4 | -78.2 | -167 | 179.9 | -168 | -0.1 | 115.7 | Y259 | Y259-R262 PolarHBondContact O-N 3.06Š|
| 263 | K | 22.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 61% | 0.609 | 57% | 0.568 | S | S | * | * | trans | -123.4 | 72.4 | -178.2 | -65.6 | -148.9 | -179.9 | -175.3 | 0 | 113.9 | Y259 | Y259-K263 HydrophobicContact CD1-CD 4.43Å; Y259-K263 HydrophobicContact CD1-CG 4.42Å; Y259-K263 HydrophobicContact CE1-CB 4.42Å; Y259-K263 HydrophobicContact CE1-CD 3.55Å; Y259-K263 HydrophobicContact CE1-CG 4Å; Y259-K263 HydrophobicContact CE2-CD 4.02Å; Y259-K263 VanDerWaalsContact CE2-CE 3.42Å; Y259-K263 VanDerWaalsContact OH-CD 3.32Å; Y259-K263 WeakPolarHBondContact OH-CD 2.89Å; Y259-K263 WeakPolarHBondContact OH-CE 3.03Å; Y259-K263 PolarHBondContact OH-NZ 2.88Å | ||
| 264 | S | 21.2 | Very low | 26.5 | Very low | 99 Ų | 99 | 114.8 Ų | 114.8 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | trans | -114.7 | 104.6 | 146.3 | 68.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 265 | P | 24.3 | Very low | 26.1 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 70% | 0.695 | 55% | 0.549 | S | S | * | . | trans | -72.5 | 140.7 | 171.1 | 31.5 | -29.1 | 0 | 0 | 0 | 107.8 | ||||
| 266 | N | 22.9 | Very low | 25.9 | Very low | 151 Ų | 151 | 112.7 Ų | 112.7 | 81% | 0.807 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 66.6 | 82.1 | 168.2 | -55.4 | -22.6 | 0 | 0 | 0 | 116 | ||
| 267 | K | 23.4 | Very low | 25.6 | Very low | 184 Ų | 184 | 118.8 Ų | 118.8 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 162.1 | 113.5 | 140.7 | -89.8 | 165.5 | -172.7 | -171.5 | 0 | 106.3 | K269 | K267-K269 PolarHBondContact O-N 2.91Š|
| 268 | R | 19.7 | Very low | 25.3 | Very low | 261 Ų | 261 | 120.8 Ų | 120.8 | 99% | 0.985 | 60% | 0.598 | S | S | * | * | trans | -40.2 | 106.4 | 177.4 | -68.2 | 174.7 | 175.2 | 164.1 | -3.5 | 110.1 | ||||
| 269 | K | 23.7 | Very low | 25.6 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | trans | -140.3 | 146.2 | 171.4 | -80 | -165 | 177.2 | -172.5 | 0 | 108.3 | K267 | K267-K269 PolarHBondContact O-N 2.91Š| ||
| 270 | P | 22 | Very low | 26.3 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -77.4 | 143 | -154.2 | 32.1 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 271 | F | 22.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | trans | 59.1 | 127.4 | 164.1 | -65.8 | -75.5 | 0 | 0 | 0 | 120.9 | M273 | F271-M273 PolarHBondContact O-N 2.79Š| ||
| 272 | P | 24.6 | Very low | 27.7 | Very low | 75 Ų | 75 | 126 Ų | 126 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | trans | -71.8 | 114.8 | 161.1 | 29.6 | -28.6 | 0 | 0 | 0 | 109 | C274 | P272-C274 PolarHBondContact O-N 3.45Š| ||
| 273 | M | 26 | Very low | 29.2 | Very low | 51 Ų | 51 | 118.1 Ų | 118.1 | 25% | 0.251 | 62% | 0.623 | S | S | . | * | trans | -52.4 | 109.8 | 171.1 | -79 | -178.2 | 57.3 | 0 | 0 | 110 | T233 L261 F271 F275 V286 | T233-M273 HydrophobicContact CG2-CE 3.91Å; T233-M273 HydrophobicContact CG2-SD 4.45Å; L261-M273 HydrophobicContact CB-CB 4.18Å; L261-M273 HydrophobicContact CB-SD 4.39Å; L261-M273 HydrophobicContact CD1-CB 3.88Å; L261-M273 HydrophobicContact CD1-CE 3.34Å; L261-M273 HydrophobicContact CD1-CG 4.05Å; L261-M273 HydrophobicContact CD1-SD 3.16Å; L261-M273 WeakPolarHBondContact CD1-SD 3.44Å; L261-M273 HydrophobicContact CD2-CG 4.23Å; L261-M273 HydrophobicContact CD2-SD 3.26Å; L261-M273 WeakPolarHBondContact CD2-SD 2.77Å; L261-M273 HydrophobicContact CG-CB 4.43Å; L261-M273 HydrophobicContact CG-CE 4.46Å; L261-M273 HydrophobicContact CG-CG 4.45Å; L261-M273 HydrophobicContact CG-SD 3.67Å; F271-M273 PolarHBondContact O-N 2.79Å; M273-F275 HydrophobicContact CE-CZ 4.45Å; M273-F275 PolarHBondContact O-N 2.86Å; M273-F275 VanDerWaalsContact O-N 3.11Å; M273-V286 HydrophobicContact CE-CB 4.34Å; M273-V286 HydrophobicContact CE-CG1 3.78Å; M273-V286 HydrophobicContact CE-CG2 3.58Å | ||
| 274 | C | 25.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 114 Ų | 114 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | trans | -76.9 | 96.3 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 107.8 | P272 G276 | P272-C274 PolarHBondContact O-N 3.45Å; C274-G276 PolarHBondContact O-N 2.9Å | ||
| 275 | F | 26.8 | Very low | 34.1 | Very low | 58 Ų | 58 | 112.7 Ų | 112.7 | 25% | 0.254 | 58% | 0.584 | S | S | . | * | trans | -68.2 | 81.1 | 157.8 | -71 | -75.9 | 0 | 0 | 0 | 107.1 | L257 R258 L261 M273 K277 | L257-F275 HydrophobicContact CB-CZ 3.98Å; L257-F275 WeakPolarHBondContact O-CE2 3.29Å; R258-F275 HydrophobicContact CG-CD2 4.42Å; L261-F275 HydrophobicContact CD1-CE2 3.73Å; L261-F275 HydrophobicContact CD1-CZ 3.84Å; M273-F275 HydrophobicContact CE-CZ 4.45Å; M273-F275 PolarHBondContact O-N 2.86Å; M273-F275 VanDerWaalsContact O-N 3.11Å; F275-K277 PolarHBondContact O-N 2.9Å; F275-K277 VanDerWaalsContact O-N 3.15Å | ||
| 276 | G | 25.9 | Very low | 36.7 | Very low | 56 Ų | 56 | 108 Ų | 108 | 58% | 0.577 | 55% | 0.553 | S | S | * | * | trans | -56.4 | 118.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | C274 S278 | C274-G276 PolarHBondContact O-N 2.9Å; G276-S278 PolarHBondContact O-N 3.33Å | ||
| 277 | K | 27.7 | Very low | 39.4 | Very low | 176 Ų | 176 | 107.6 Ų | 107.6 | 77% | 0.765 | 55% | 0.546 | S | S | * | . | trans | -74 | 85.9 | 158.6 | -70.1 | -178.8 | -179 | 176.8 | 0 | 105.3 | F275 | F275-K277 PolarHBondContact O-N 2.9Å; F275-K277 VanDerWaalsContact O-N 3.15Å | ||
| 278 | S | 29.9 | Very low | 41.4 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | trans | -64.3 | 164.4 | 164.5 | 66.6 | 0 | 0 | 0 | 0 | 108.6 | G276 W280 | G276-S278 PolarHBondContact O-N 3.33Å; S278-W280 PolarHBondContact O-N 2.97Å | ||
| 279 | V | 34.2 | Very low | 42.6 | Very low | 144 Ų | 144 | 90.8 Ų | 90.8 | 87% | 0.873 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -51 | -16.1 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | S281 | V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 2.9Å; V279-S281 VanDerWaalsContact O-N 3.15Å |
| 280 | W | 41.8 | Very low | 43 | Very low | 159 Ų | 159 | 87.1 Ų | 87.1 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -85.1 | 49.6 | 176.7 | -48.9 | 96.5 | 0 | 0 | 0 | 114.6 | S278 S282 V283 | S278-W280 PolarHBondContact O-N 2.97Å; W280-S282 PolarHBondContact O-N 2.99Å; W280-V283 PolarHBondContact O-N 3.5Å |
| 281 | S | 42.1 | Very low | 43.1 | Very low | 109 Ų | 109 | 86.2 Ų | 86.2 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 3.9 | -163.5 | 66 | 0 | 0 | 0 | 0 | 122.3 | V279 | V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 2.9Å; V279-S281 VanDerWaalsContact O-N 3.15Å |
| 282 | S | 51.5 | Low | 43 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -21.6 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 116.2 | V215 W280 | V215-S282 VanDerWaalsContact CG1-C 3.46Å; W280-S282 PolarHBondContact O-N 2.99Å |
| 283 | V | 54 | Low | 42.8 | Very low | 27 Ų | 27 | 86.3 Ų | 86.3 | 16% | 0.164 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -84.4 | 131.9 | -179 | -164.8 | 0 | 0 | 0 | 0 | 109.2 | L207 V215 V220 W280 | L207-V283 HydrophobicContact CD1-CG2 4.11Å; L207-V283 HydrophobicContact CD2-CG2 4.11Å; L207-V283 HydrophobicContact CG-CG2 4.25Å; V215-V283 HydrophobicContact CB-CG2 4.37Å; V215-V283 HydrophobicContact CG1-CB 3.86Å; V215-V283 HydrophobicContact CG1-CG1 4.42Å; V215-V283 HydrophobicContact CG1-CG2 3.25Å; V215-V283 HydrophobicContact CG2-CG2 4.29Å; V220-V283 HydrophobicContact CG2-CG1 3.85Å; W280-V283 PolarHBondContact O-N 3.5Å |
| 284 | R | 70.8 | Confident | 42.6 | Very low | 53 Ų | 53 | 90.4 Ų | 90.4 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.6 | 169.4 | -76 | 173.7 | -84.9 | -177 | -12.2 | 108.7 | K216 C219 V220 | K216-R284 PolarHBondContact O-NH2 2.89Å; C219-R284 CarbonylContact C-O 3.48Å; C219-R284 WeakPolarHBondContact CA-O 3.41Å; C219-R284 HydrophobicContact CB-CB 4.19Å; V220-R284 PolarHBondContact N-O 3.37Å |
| 285 | W | 76 | Confident | 42.3 | Very low | 73 Ų | 73 | 91.1 Ų | 91.1 | 28% | 0.277 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.7 | -175.8 | -112 | 65.7 | 0 | 0 | 0 | 110.1 | F203 V220 E222 | F203-W285 HydrophobicContact CE1-CZ2 4.07Å; V220-W285 HydrophobicContact CB-CD2 4.42Å; V220-W285 HydrophobicContact CB-CG 4.14Å; V220-W285 HydrophobicContact CG1-CD2 4.45Å; V220-W285 HydrophobicContact CG1-CZ2 4.13Å; V220-W285 CarbonylContact O-C 3.48Å; V220-W285 WeakPolarHBondContact O-CA 3.41Å; E222-W285 HydrophobicContact CG-CH2 4.32Å; E222-W285 HydrophobicContact CG-CZ3 4.06Å; E222-W285 WeakPolarHBondContact OE1-CH2 3.32Å; E222-W285 WeakPolarHBondContact OE1-CZ3 3.21Å |
| 286 | V | 79 | Confident | 41.9 | Very low | 9 Ų | 9 | 95.5 Ų | 95.5 | 6% | 0.055 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 114.6 | 171.1 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | V220 V221 E222 T233 M273 | V220-V286 PolarHBondContact O-N 2.84Å; V221-V286 HydrophobicContact CB-CB 4.33Å; V221-V286 HydrophobicContact CG1-CB 4.06Å; V221-V286 HydrophobicContact CG1-CG1 4.15Å; V221-V286 HydrophobicContact CG2-CB 4.17Å; V221-V286 HydrophobicContact CG2-CG2 4.22Å; E222-V286 PolarHBondContact N-O 2.82Å; T233-V286 HydrophobicContact CG2-CG1 4.24Å; T233-V286 HydrophobicContact CG2-CG2 4.42Å; M273-V286 HydrophobicContact CE-CB 4.34Å; M273-V286 HydrophobicContact CE-CG1 3.78Å; M273-V286 HydrophobicContact CE-CG2 3.58Å |
| 287 | Q | 79.3 | Confident | 41.6 | Very low | 141 Ų | 141 | 98.3 Ų | 98.3 | 66% | 0.659 | 55% | 0.552 | S | S | * | * | trans | -82.3 | 153 | -174.5 | -163.8 | 176 | -5.4 | 0 | 0 | 112.1 | E222 N230 G289 | E222-Q287 VanDerWaalsContact OE2-CA 3.28Å; E222-Q287 WeakPolarHBondContact OE2-CA 3.35Å; E222-Q287 WeakPolarHBondContact OE2-CG 3.42Å; N230-Q287 PolarHBondContact ND2-O 3.24Å; N230-Q287 VanDerWaalsContact ND2-O 3.07Å; Q287-G289 PolarHBondContact O-N 2.84Å | ||
| 288 | Y | 65.7 | Low | 41.2 | Very low | 37 Ų | 37 | 97.4 Ų | 97.4 | 15% | 0.145 | 55% | 0.55 | C | S | . | * | trans | -73 | 105.2 | 169.3 | -168.2 | -101.2 | 0 | 0 | 0 | 108.6 | H191 E222 V229 T290 | H191-Y288 HydrophobicContact CB-CD1 4.14Å; H191-Y288 HydrophobicContact CB-CD2 3.6Å; H191-Y288 HydrophobicContact CB-CE1 4.25Å; H191-Y288 HydrophobicContact CB-CE2 3.74Å; H191-Y288 HydrophobicContact CB-CG 3.81Å; E222-Y288 WeakPolarHBondContact OE2-CB 3.28Å; E222-Y288 PolarHBondContact OE2-N 3.23Å; V229-Y288 HydrophobicContact CB-CD2 4.14Å; V229-Y288 HydrophobicContact CB-CE2 3.53Å; V229-Y288 HydrophobicContact CG1-CD2 3.59Å; V229-Y288 HydrophobicContact CG1-CE2 3.44Å; V229-Y288 VanDerWaalsContact CG1-CE2 3.44Å; V229-Y288 HydrophobicContact CG1-CG 4.5Å; V229-Y288 HydrophobicContact CG2-CE2 3.91Å; Y288-T290 HydrophobicContact CD1-CG2 4.05Å; Y288-T290 HydrophobicContact CE1-CG2 3.72Å | ||
| 289 | G | 45.5 | Very low | 40.7 | Very low | 56 Ų | 56 | 99.3 Ų | 99.3 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | trans | -91.4 | 108.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q287 S291 | Q287-G289 PolarHBondContact O-N 2.84Å; G289-S291 PolarHBondContact O-N 2.92Å | ||
| 290 | T | 31 | Very low | 40 | Very low | 106 Ų | 106 | 98.3 Ų | 98.3 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | trans | -70.4 | 117.2 | 161.5 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | Y288 L292 | Y288-T290 HydrophobicContact CD1-CG2 4.05Å; Y288-T290 HydrophobicContact CE1-CG2 3.72Å; T290-L292 PolarHBondContact O-N 3.35Å | ||
| 291 | S | 24.4 | Very low | 39 | Very low | 92 Ų | 92 | 95.9 Ų | 95.9 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | trans | -68.8 | 87.3 | 163.9 | 63.7 | 0 | 0 | 0 | 0 | 107.9 | G289 C293 | G289-S291 PolarHBondContact O-N 2.92Å; S291-C293 VanDerWaalsContact C-N 3.34Å; S291-C293 PolarHBondContact O-N 3.02Å | ||
| 292 | L | 22 | Very low | 37.9 | Very low | 142 Ų | 142 | 102 Ų | 102 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | trans | -65.6 | 109.3 | 147.1 | -145.2 | 81 | 0 | 0 | 0 | 103.6 | T290 D294 | T290-L292 PolarHBondContact O-N 3.35Å; L292-D294 PolarHBondContact O-N 2.89Å | ||
| 293 | C | 20.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 108.3 Ų | 108.3 | 73% | 0.73 | 60% | 0.595 | S | S | * | * | trans | -60.1 | 98.7 | 166.9 | -70.8 | 0 | 0 | 0 | 0 | 105.7 | S291 T295 | S291-C293 VanDerWaalsContact C-N 3.34Å; S291-C293 PolarHBondContact O-N 3.02Å; C293-T295 PolarHBondContact O-N 2.76Å | ||
| 294 | D | 20.4 | Very low | 34.9 | Very low | 136 Ų | 136 | 112.5 Ų | 112.5 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | -55.7 | 98.8 | 162.3 | -82.4 | -32.7 | 0 | 0 | 0 | 105.7 | L292 N296 | L292-D294 PolarHBondContact O-N 2.89Å; D294-N296 PolarHBondContact O-N 2.78Å | ||
| 295 | T | 19.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 115 Ų | 115 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | trans | -47.4 | 117.7 | 160.3 | 40.3 | 0 | 0 | 0 | 0 | 105.7 | C293 V297 | C293-T295 PolarHBondContact O-N 2.76Å; T295-V297 PolarHBondContact O-N 3.3Å | ||
| 296 | N | 19.2 | Very low | 30 | Very low | 150 Ų | 150 | 118.5 Ų | 118.5 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | -58.2 | 70.2 | 173.7 | -69.3 | -63.3 | 0 | 0 | 0 | 109.9 | D294 H298 | D294-N296 PolarHBondContact O-N 2.78Å; N296-H298 VanDerWaalsContact C-N 3.31Å; N296-H298 PolarHBondContact O-N 3.45Å | ||
| 297 | V | 19.5 | Very low | 27.4 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | trans | -86.3 | 93.1 | 160.6 | -176.3 | 0 | 0 | 0 | 0 | 103.4 | T295 S299 | T295-V297 PolarHBondContact O-N 3.3Å; V297-S299 PolarHBondContact O-N 3.45Å | ||
| 298 | H | 19.2 | Very low | 24.6 | Very low | 158 Ų | 158 | 129 Ų | 129 | 73% | 0.731 | 72% | 0.722 | S | S | * | * | trans | -50.9 | 84.5 | 163.9 | -78.1 | -77.4 | 0 | 0 | 0 | 109.2 | N296 T300 | N296-H298 VanDerWaalsContact C-N 3.31Å; N296-H298 PolarHBondContact O-N 3.45Å; H298-T300 PolarHBondContact O-N 3.4Å | ||
| 299 | S | 19 | Very low | 22.5 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -78 | 85.2 | 156.8 | 58.5 | 0 | 0 | 0 | 0 | 105.7 | V297 S301 | V297-S299 PolarHBondContact O-N 3.45Å; S299-S301 PolarHBondContact O-N 3.5Å | ||
| 300 | T | 18.6 | Very low | 21.3 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -60.4 | 72 | 159.9 | 42.1 | 0 | 0 | 0 | 0 | 108.5 | H298 R302 | H298-T300 PolarHBondContact O-N 3.4Å; T300-R302 VanDerWaalsContact C-N 3.28Å; T300-R302 PolarHBondContact O-N 2.89Å | ||
| 301 | S | 20.5 | Very low | 20.8 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -76.4 | 92.8 | 167 | 64.4 | 0 | 0 | 0 | 0 | 107.1 | S299 E303 | S299-S301 PolarHBondContact O-N 3.5Å; S301-E303 PolarHBondContact O-N 3.41Å | ||
| 302 | R | 19.9 | Very low | 20.5 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -35.2 | 127.7 | 166.5 | -84 | 172.1 | 164.6 | 168.4 | -5.5 | 111.1 | T300 S304 | T300-R302 VanDerWaalsContact C-N 3.28Å; T300-R302 PolarHBondContact O-N 2.89Å; R302-S304 PolarHBondContact O-N 2.85Å | ||
| 303 | E | 21.2 | Very low | 20.5 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 120.7 | 161.5 | -65.9 | 171.7 | 154 | 0 | 0 | 109.5 | S301 | S301-E303 PolarHBondContact O-N 3.41Š|
| 304 | S | 20.3 | Very low | 20.5 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 116.1 | 159.7 | 41.7 | 0 | 0 | 0 | 0 | 107.1 | R302 | R302-S304 PolarHBondContact O-N 2.85Š|
| 305 | P | 23.2 | Very low | 20.7 | Very low | 105 Ų | 105 | 146 Ų | 146 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 151.7 | 176.7 | 31.6 | -30.6 | 0 | 0 | 0 | 110.5 | ||
| 306 | N | 22.5 | Very low | 20.8 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 86.9 | 81 | 164.3 | -55 | -39.7 | 0 | 0 | 0 | 118.1 | ||||
| 307 | V | 22.9 | Very low | 20.9 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | trans | -114.4 | 121 | 137.7 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 308 | R | 20.6 | Very low | 20.9 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -73.1 | 141.2 | -173.6 | -78.5 | -179.7 | 177.8 | 170.6 | -0.7 | 112.3 | ||||
| 309 | H | 21.2 | Very low | 21 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 47.4 | 96.9 | 140.7 | -70.4 | -89.2 | 0 | 0 | 0 | 119.6 | ||||
| 310 | V | 21.1 | Very low | 21.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -133 | 111.9 | 143.4 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 311 | S | 19.8 | Very low | 21.2 | Very low | 98 Ų | 98 | 151.7 Ų | 151.7 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 34.9 | 101.5 | 158.7 | 60.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 312 | Y | 18.8 | Very low | 21.2 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | 16.7 | 113.5 | 130.9 | -67.8 | -89.6 | 0 | 0 | 0 | 119.5 | ||||
| 313 | F | 21.4 | Very low | 21.4 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | -159.2 | 112.1 | 125.5 | -99.7 | -73.9 | 0 | 0 | 0 | 109.2 | |||||
| 314 | P | 21.9 | Very low | 21.4 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 129.7 | -175.9 | 29.2 | -31.1 | 0 | 0 | 0 | 111.2 | L316 | P314-L316 PolarHBondContact O-N 2.82Š| ||
| 315 | P | 23.5 | Very low | 21.5 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 123.2 | 164.2 | 25.8 | -21.7 | 0 | 0 | 0 | 108.1 | V317 | P315-V317 PolarHBondContact O-N 3.13Š| ||
| 316 | L | 22.2 | Very low | 21.6 | Very low | 174 Ų | 174 | 156.1 Ų | 156.1 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -49.9 | 96.7 | 174.1 | -75.3 | 155.2 | 0 | 0 | 0 | 111.1 | P314 Q318 | P314-L316 PolarHBondContact O-N 2.82Å; L316-Q318 PolarHBondContact O-N 3.46Å | ||
| 317 | V | 21.2 | Very low | 21.7 | Very low | 129 Ų | 129 | 156.7 Ų | 156.7 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -82.7 | 95.9 | 165.5 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | P315 | P315-V317 PolarHBondContact O-N 3.13Š| ||
| 318 | Q | 20.6 | Very low | 21.7 | Very low | 169 Ų | 169 | 158.7 Ų | 158.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -66.4 | 126.5 | 163.8 | -84.7 | -176.6 | -30.9 | 0 | 0 | 108.4 | L316 L320 | L316-Q318 PolarHBondContact O-N 3.46Å; Q318-L320 PolarHBondContact O-N 3.26Å | ||
| 319 | P | 21 | Very low | 21.9 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 105 | 179.1 | 27.5 | -30.7 | 0 | 0 | 0 | 108.6 | T321 | P319-T321 PolarHBondContact O-N 3.41Å; P319-T321 VanDerWaalsContact O-N 3.17Å | ||
| 320 | L | 20.9 | Very low | 21.9 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -75.9 | 102.8 | 169.7 | -87.2 | 158.5 | 0 | 0 | 0 | 108.3 | Q318 F322 | Q318-L320 PolarHBondContact O-N 3.26Å; L320-F322 PolarHBondContact O-N 3.3Å | ||
| 321 | T | 20.3 | Very low | 22.1 | Very low | 133 Ų | 133 | 160.8 Ų | 160.8 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -53.5 | 112.8 | 171.8 | -20 | 0 | 0 | 0 | 0 | 109.5 | P319 P323 | P319-T321 PolarHBondContact O-N 3.41Å; P319-T321 VanDerWaalsContact O-N 3.17Å; T321-P323 WeakPolarHBondContact O-CD 3.5Å | ||
| 322 | F | 21.2 | Very low | 22.3 | Very low | 192 Ų | 192 | 162 Ų | 162 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 121.3 | 175.2 | -82.8 | -89.6 | 0 | 0 | 0 | 110 | L320 K324 | L320-F322 PolarHBondContact O-N 3.3Å; F322-K324 PolarHBondContact O-N 3.32Å; F322-K324 VanDerWaalsContact O-N 3.15Å | ||
| 323 | P | 23 | Very low | 22.4 | Very low | 121 Ų | 121 | 161 Ų | 161 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -70.4 | 112.2 | 167.9 | 26.7 | -27.3 | 0 | 0 | 0 | 108.4 | T321 Q325 | T321-P323 WeakPolarHBondContact O-CD 3.5Å; P323-Q325 PolarHBondContact O-N 3.13Å | ||
| 324 | K | 21.7 | Very low | 22.4 | Very low | 190 Ų | 190 | 162.3 Ų | 162.3 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -57.8 | 100.1 | 167.8 | -67.1 | 176.6 | 177.1 | 179.2 | 0 | 109.2 | F322 | F322-K324 PolarHBondContact O-N 3.32Å; F322-K324 VanDerWaalsContact O-N 3.15Å | ||
| 325 | Q | 23.4 | Very low | 22.5 | Very low | 182 Ų | 182 | 164.7 Ų | 164.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -133.2 | 102.6 | 157.1 | -75.4 | -163.9 | -10.4 | 0 | 0 | 110 | P323 N327 | P323-Q325 PolarHBondContact O-N 3.13Å; Q325-N327 PolarHBondContact O-N 3.04Å | ||
| 326 | H | 23.6 | Very low | 22.4 | Very low | 162 Ų | 162 | 167.2 Ų | 167.2 | 75% | 0.75 | 83% | 0.83 | S | S | * | * | trans | -50.9 | 117.8 | 165.8 | -67.8 | -89.5 | 0 | 0 | 0 | 110.1 | ||||
| 327 | N | 25.5 | Very low | 22.4 | Very low | 159 Ų | 159 | 166.2 Ų | 166.2 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -140.7 | 107 | 147.2 | -96 | -29.7 | 0 | 0 | 0 | 109.3 | Q325 L329 | Q325-N327 PolarHBondContact O-N 3.04Å; N327-L329 PolarHBondContact O-N 3.2Å | ||
| 328 | K | 23.3 | Very low | 22.4 | Very low | 196 Ų | 196 | 165.3 Ų | 165.3 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -61.2 | 107.9 | 178.5 | -64.8 | 170.8 | 176.6 | 177.1 | 0 | 109 | ||||
| 329 | L | 25.1 | Very low | 22.4 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -103.8 | 102.1 | 156.3 | -82.8 | 163.9 | 0 | 0 | 0 | 107.3 | N327 I331 | N327-L329 PolarHBondContact O-N 3.2Å; L329-I331 PolarHBondContact O-N 2.97Å | ||
| 330 | R | 21 | Very low | 22.4 | Very low | 246 Ų | 246 | 169.5 Ų | 169.5 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118.7 | 173.8 | -90.6 | 173.4 | 161.4 | 152.9 | -7.4 | 109.6 | ||
| 331 | I | 25.4 | Very low | 22.4 | Very low | 150 Ų | 150 | 169 Ų | 169 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 134.2 | 161.7 | -62 | 172 | 0 | 0 | 0 | 106.5 | L329 E333 | L329-I331 PolarHBondContact O-N 2.97Å; I331-E333 PolarHBondContact O-N 3.41Å |
| 332 | P | 22.7 | Very low | 22.3 | Very low | 124 Ų | 124 | 165.8 Ų | 165.8 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.7 | 175.8 | -10.9 | 26.1 | 0 | 0 | 0 | 110.1 | ||
| 333 | E | 21.9 | Very low | 22.3 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.6 | 165.3 | -67.1 | 168.4 | 162.2 | 0 | 0 | 109.4 | I331 | I331-E333 PolarHBondContact O-N 3.41Š|
| 334 | R | 22.1 | Very low | 22.2 | Very low | 235 Ų | 235 | 164.7 Ų | 164.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 152.5 | 78.4 | 148.4 | -85.9 | 170.3 | -176.8 | -170.3 | 1.5 | 111.1 | ||||
| 335 | I | 23.6 | Very low | 22.2 | Very low | 157 Ų | 157 | 164.3 Ų | 164.3 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -143.1 | 107.3 | 140.6 | -57.2 | -175.7 | 0 | 0 | 0 | 106.4 | L337 | I335-L337 HydrophobicContact CG2-CG 4.48Š| ||
| 336 | I | 21.2 | Very low | 22.1 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -84.6 | 116 | 175.2 | -62.3 | 167.5 | 0 | 0 | 0 | 106.1 | ||||
| 337 | L | 21.9 | Very low | 22 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -109 | 125.7 | 169 | -89.2 | 159.1 | 0 | 0 | 0 | 108.6 | I335 | I335-L337 HydrophobicContact CG2-CG 4.48Š| ||
| 338 | P | 21.4 | Very low | 21.8 | Very low | 110 Ų | 110 | 160 Ų | 160 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | trans | -75.5 | 142.9 | -169.2 | 28.8 | -32.4 | 0 | 0 | 0 | 112.8 | ||||
| 339 | Q | 19.8 | Very low | 21.8 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -67 | 126.1 | 173.9 | -65.6 | 170.8 | -15.5 | 0 | 0 | 110.2 | ||||
| 340 | M | 20.8 | Very low | 21.6 | Very low | 183 Ų | 183 | 156.1 Ų | 156.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -118.6 | 127.9 | 162.3 | -77.6 | -130.8 | 69.6 | 0 | 0 | 110.3 | ||||
| 341 | I | 21.4 | Very low | 21.6 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 140.9 | -164.2 | -70.8 | 157 | 0 | 0 | 0 | 111.1 | ||||
| 342 | G | 19.3 | Very low | 21.3 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 144.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 343 | V | 20.9 | Very low | 21.4 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -121.1 | 113.5 | 167.7 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 344 | N | 20.2 | Very low | 21.3 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -80.1 | 137 | 174.4 | -69.7 | -38.2 | 0 | 0 | 0 | 109.7 | ||||
| 345 | H | 21.8 | Very low | 21.3 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -153.9 | 116.8 | 148.3 | -122.9 | -48.3 | 0 | 0 | 0 | 111.8 | ||||
| 346 | P | 21.9 | Very low | 21.3 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -97.7 | 148.5 | 168.4 | 35.3 | -28.1 | 0 | 0 | 0 | 110.6 | ||||
| 347 | N | 21.2 | Very low | 21.3 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 162.1 | 120.2 | 150.5 | -83.4 | -23.5 | 0 | 0 | 0 | 109.3 | ||||
| 348 | I | 22.2 | Very low | 21.3 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 177.4 | 138.7 | 137.9 | -85.9 | 149.7 | 0 | 0 | 0 | 108.6 | ||||
| 349 | P | 21.8 | Very low | 21.3 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 144.1 | -163.5 | 1.9 | 20 | 0 | 0 | 0 | 112.9 | ||
| 350 | I | 20.7 | Very low | 21.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 120.7 | 177.4 | -64.2 | 167.1 | 0 | 0 | 0 | 108.9 | ||
| 351 | A | 20.9 | Very low | 21.3 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 130.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 352 | N | 20 | Very low | 21.3 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 123.6 | -179 | -120 | -8.8 | 0 | 0 | 0 | 109.9 | ||
| 353 | P | 24.6 | Very low | 21.4 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -108.4 | 104.3 | 159.8 | 22.4 | -4.7 | 0 | 0 | 0 | 109.7 | ||||
| 354 | N | 20.4 | Very low | 21.4 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 121.3 | 161.4 | -73.3 | -37.6 | 0 | 0 | 0 | 108.6 | ||||
| 355 | S | 22.1 | Very low | 21.5 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -163.8 | 123.3 | 141.3 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 356 | P | 23.6 | Very low | 21.5 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 114 | 177.2 | 31 | -26.7 | 0 | 0 | 0 | 109 | E358 | P356-E358 PolarHBondContact O-N 2.91Š| ||
| 357 | L | 21.6 | Very low | 21.5 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -76 | 115.5 | 173.6 | -80 | 163.4 | 0 | 0 | 0 | 109.5 | M359 | L357-M359 PolarHBondContact O-N 2.85Š| ||
| 358 | E | 20.8 | Very low | 21.7 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -58.2 | 125.3 | 175.5 | -73 | 175.8 | 140 | 0 | 0 | 111.7 | P356 K360 | P356-E358 PolarHBondContact O-N 2.91Å; E358-K360 PolarHBondContact O-N 3.44Å | ||
| 359 | M | 21.2 | Very low | 21.8 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -74.6 | 99.8 | 175 | -129.8 | -176.3 | -86.6 | 0 | 0 | 108.9 | L357 T361 | L357-M359 PolarHBondContact O-N 2.85Å; M359-T361 PolarHBondContact O-N 2.95Å | ||
| 360 | K | 20.3 | Very low | 21.9 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 109.9 | 171 | -78.2 | -177.2 | 176.4 | 178.4 | 0 | 109.7 | E358 Y362 | E358-K360 PolarHBondContact O-N 3.44Å; K360-Y362 PolarHBondContact O-N 3.26Å | ||
| 361 | T | 21.2 | Very low | 22 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 112.4 | 173.3 | -32.4 | 0 | 0 | 0 | 0 | 109.1 | M359 Q363 | M359-T361 PolarHBondContact O-N 2.95Å; T361-Q363 PolarHBondContact O-N 2.98Å | ||
| 362 | Y | 20.8 | Very low | 22.1 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -81 | 108.1 | 171.2 | -77.4 | -85.5 | 0 | 0 | 0 | 109.3 | K360 M364 | K360-Y362 PolarHBondContact O-N 3.26Å; Y362-M364 PolarHBondContact O-N 3.18Å | ||
| 363 | Q | 20.4 | Very low | 22.1 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -76.1 | 101.1 | 159 | -81.3 | 178.2 | -27.5 | 0 | 0 | 107.6 | T361 N365 | T361-Q363 PolarHBondContact O-N 2.98Å; Q363-N365 PolarHBondContact O-N 3.31Å | ||
| 364 | M | 22.8 | Very low | 22 | Very low | 184 Ų | 184 | 152 Ų | 152 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 103.9 | 165 | -88.4 | -176.1 | 174.3 | 0 | 0 | 108.3 | Y362 A366 | Y362-M364 PolarHBondContact O-N 3.18Å; M364-A366 PolarHBondContact O-N 3.28Å | ||
| 365 | N | 21.7 | Very low | 22.1 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.8 | 170.1 | -75.4 | -28.4 | 0 | 0 | 0 | 109.6 | Q363 S367 | Q363-N365 PolarHBondContact O-N 3.31Å; N365-S367 PolarHBondContact O-N 2.91Å |
| 366 | A | 21.7 | Very low | 22.1 | Very low | 103 Ų | 103 | 154 Ų | 154 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | M364 | M364-A366 PolarHBondContact O-N 3.28Š|
| 367 | S | 21.8 | Very low | 22.1 | Very low | 98 Ų | 98 | 154.3 Ų | 154.3 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 126.1 | 165.6 | 47.3 | 0 | 0 | 0 | 0 | 108.1 | N365 | N365-S367 PolarHBondContact O-N 2.91Š|
| 368 | P | 25.7 | Very low | 22 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 122.4 | 176.9 | 30.5 | -28.2 | 0 | 0 | 0 | 109.6 | ||
| 369 | F | 24.9 | Very low | 22.1 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 145.2 | 160.8 | -99.5 | -89.9 | 0 | 0 | 0 | 109.5 | ||
| 370 | P | 23.6 | Very low | 22.2 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 150.2 | -157.8 | 34.5 | -29.2 | 0 | 0 | 0 | 113.8 | T372 | P370-T372 PolarHBondContact O-N 3.43Š|
| 371 | D | 22.6 | Very low | 22.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -53.5 | 111.1 | 174.4 | -63 | -57.1 | 0 | 0 | 0 | 112.6 | H373 | D371-H373 PolarHBondContact O-N 2.85Š| ||
| 372 | T | 23.1 | Very low | 22.3 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -82 | 99.6 | 158.8 | 41.9 | 0 | 0 | 0 | 0 | 108.8 | P370 F374 | P370-T372 PolarHBondContact O-N 3.43Å; T372-F374 PolarHBondContact O-N 3.3Å | ||
| 373 | H | 20.3 | Very low | 22.3 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -52 | 111.1 | 166.6 | -70.1 | -86.4 | 0 | 0 | 0 | 111.1 | D371 | D371-H373 PolarHBondContact O-N 2.85Š| ||
| 374 | F | 22.3 | Very low | 22.3 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -104.4 | 116.3 | 152.7 | -97.1 | -84.9 | 0 | 0 | 0 | 108.3 | T372 | T372-F374 PolarHBondContact O-N 3.3Š| ||
| 375 | S | 22.4 | Very low | 22.2 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -57.8 | 130.7 | -178.3 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | N377 | S375-N377 VanDerWaalsContact C-N 3.32Å; S375-N377 PolarHBondContact O-N 3Å | ||
| 376 | E | 22.3 | Very low | 22.2 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 89.9 | 161.8 | -67 | 177.9 | 155.3 | 0 | 0 | 109.9 | S378 | E376-S378 PolarHBondContact O-N 3.37Š| ||
| 377 | N | 22 | Very low | 22.3 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -84.4 | 102 | 162.4 | -90.9 | -13.7 | 0 | 0 | 0 | 108.2 | S375 T379 | S375-N377 VanDerWaalsContact C-N 3.32Å; S375-N377 PolarHBondContact O-N 3Å; N377-T379 PolarHBondContact O-N 3.14Å | ||
| 378 | S | 20.3 | Very low | 22.2 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -52.3 | 95.7 | 162.3 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | E376 | E376-S378 PolarHBondContact O-N 3.37Š| ||
| 379 | T | 23.6 | Very low | 22.1 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -100 | 102.2 | 159.2 | 50.5 | 0 | 0 | 0 | 0 | 107.7 | N377 V381 | N377-T379 PolarHBondContact O-N 3.14Å; T379-V381 PolarHBondContact O-N 3.43Å | ||
| 380 | S | 22.1 | Very low | 22 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -29.4 | 116.8 | 165 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | Q382 | S380-Q382 VanDerWaalsContact C-N 3.26Å; S380-Q382 PolarHBondContact O-N 3.03Å | ||
| 381 | V | 22 | Very low | 22.1 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -58.8 | 96.6 | 156.4 | 177.7 | 0 | 0 | 0 | 0 | 105.8 | T379 D383 | T379-V381 PolarHBondContact O-N 3.43Å; V381-D383 PolarHBondContact O-N 2.91Å | ||
| 382 | Q | 21.8 | Very low | 22.4 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -75.4 | 110.7 | 162.7 | -79.2 | -172.6 | -10.3 | 0 | 0 | 105.9 | S380 I384 | S380-Q382 VanDerWaalsContact C-N 3.26Å; S380-Q382 PolarHBondContact O-N 3.03Å; Q382-I384 PolarHBondContact O-N 3.25Å | ||
| 383 | D | 20.5 | Very low | 22.4 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -45.5 | 103.9 | 166.1 | -71.4 | -44.5 | 0 | 0 | 0 | 109 | V381 T385 | V381-D383 PolarHBondContact O-N 2.91Å; D383-T385 PolarHBondContact O-N 2.83Å | ||
| 384 | I | 21.3 | Very low | 22.7 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -74.5 | 84.5 | 165.7 | -59.3 | 175.6 | 0 | 0 | 0 | 105.4 | Q382 L386 | Q382-I384 PolarHBondContact O-N 3.25Å; I384-L386 VanDerWaalsContact C-N 3.32Å; I384-L386 HydrophobicContact CG2-CD1 4.28Å; I384-L386 PolarHBondContact O-N 3.2Å | ||
| 385 | T | 20.4 | Very low | 22.8 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -61.5 | 96.4 | 162.2 | 39 | 0 | 0 | 0 | 0 | 107.7 | D383 | D383-T385 PolarHBondContact O-N 2.83Š| ||
| 386 | L | 21.9 | Very low | 23 | Very low | 147 Ų | 147 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 135.8 | 165.8 | -126.5 | 89.8 | 0 | 0 | 0 | 108.1 | I384 K388 | I384-L386 VanDerWaalsContact C-N 3.32Å; I384-L386 HydrophobicContact CG2-CD1 4.28Å; I384-L386 PolarHBondContact O-N 3.2Å; L386-K388 PolarHBondContact O-N 3.42Å | ||
| 387 | P | 22.8 | Very low | 23.3 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 136 | -173.6 | -16 | 28.3 | 0 | 0 | 0 | 111 | I389 | P387-I389 PolarHBondContact O-N 3.05Š| ||
| 388 | K | 20.9 | Very low | 23.5 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -57.4 | 97.8 | 165.8 | -74.3 | 175.6 | 175.3 | 176.7 | 0 | 108.8 | L386 S390 | L386-K388 PolarHBondContact O-N 3.42Å; K388-S390 PolarHBondContact O-N 3.14Å; K388-S390 VanDerWaalsContact O-N 3.11Å | ||
| 389 | I | 24.2 | Very low | 23.7 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -83.7 | 71.6 | 158.9 | -57.2 | 171.8 | 0 | 0 | 0 | 105.6 | P387 | P387-I389 PolarHBondContact O-N 3.05Š| ||
| 390 | S | 22.3 | Very low | 23.9 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | trans | -90.4 | 98.1 | 151.4 | 51.7 | 0 | 0 | 0 | 0 | 104.4 | K388 | K388-S390 PolarHBondContact O-N 3.14Å; K388-S390 VanDerWaalsContact O-N 3.11Å | ||
| 391 | D | 26 | Very low | 24.2 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 165.6 | 133 | 144.2 | -78.6 | -20.7 | 0 | 0 | 0 | 109.3 | ||
| 392 | V | 27.1 | Very low | 24.4 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 75.9 | 77.9 | 164.9 | -154.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 393 | C | 24.8 | Very low | 24.8 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -146.2 | 96.8 | 138.4 | -93.5 | 0 | 0 | 0 | 0 | 107.4 | L395 | C393-L395 PolarHBondContact O-N 3.45Š| ||
| 394 | D | 24.9 | Very low | 25.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -54.5 | 121.8 | 173.2 | -110.9 | -35.4 | 0 | 0 | 0 | 109.9 | S396 | D394-S396 PolarHBondContact O-N 3.35Š| ||
| 395 | L | 25.7 | Very low | 25.3 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 14.5 | -178.7 | -103.6 | 101.2 | 0 | 0 | 0 | 114 | C393 | C393-L395 PolarHBondContact O-N 3.45Š|
| 396 | S | 26.5 | Very low | 25.6 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 8.4 | -169.9 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | D394 | D394-S396 PolarHBondContact O-N 3.35Š|
| 397 | V | 28.8 | Very low | 25.9 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -122.9 | 61.1 | 178.1 | -163.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 398 | L | 25.9 | Very low | 26 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -86.6 | 115.7 | 153.6 | -92.9 | 162.6 | 0 | 0 | 0 | 107.4 | T400 | L398-T400 PolarHBondContact O-N 2.88Š| ||
| 399 | L | 24.9 | Very low | 26.2 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -56.3 | 106.9 | 170.7 | -79.4 | 153.5 | 0 | 0 | 0 | 108.3 | P401 | L399-P401 WeakPolarHBondContact O-CD 3.31Š| ||
| 400 | T | 26.6 | Very low | 26.4 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.8 | 170.5 | 39.9 | 0 | 0 | 0 | 0 | 108.6 | L398 | L398-T400 PolarHBondContact O-N 2.88Š|
| 401 | P | 28.1 | Very low | 26.4 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.9 | 175.4 | 21.4 | -30.2 | 0 | 0 | 0 | 110 | L399 | L399-P401 WeakPolarHBondContact O-CD 3.31Š|
| 402 | P | 26.2 | Very low | 26.3 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.5 | -177.5 | 23.9 | -32.2 | 0 | 0 | 0 | 110.6 | ||
| 403 | P | 30 | Very low | 26.3 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.8 | 179.4 | 23.1 | -30.8 | 0 | 0 | 0 | 111 | L405 | P403-L405 PolarHBondContact O-N 3.33Š|
| 404 | P | 27.9 | Very low | 26.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.4 | -178.4 | 23.4 | -31.2 | 0 | 0 | 0 | 110.5 | L406 | P404-L406 PolarHBondContact O-N 3.02Š|
| 405 | L | 25.4 | Very low | 26.2 | Very low | 169 Ų | 169 | 127 Ų | 127 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 108.5 | 174.6 | -71 | 167.8 | 0 | 0 | 0 | 109.1 | P403 L407 | P403-L405 PolarHBondContact O-N 3.33Å; L405-L407 PolarHBondContact O-N 3.48Å | ||
| 406 | L | 25.9 | Very low | 26.1 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 96.7 | 171.8 | -78.2 | 161.5 | 0 | 0 | 0 | 108.9 | P404 | P404-L406 PolarHBondContact O-N 3.02Š| ||
| 407 | L | 28.4 | Very low | 26 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 145.1 | 166.5 | -74.5 | 168 | 0 | 0 | 0 | 109.9 | L405 G409 | L405-L407 PolarHBondContact O-N 3.48Å; L407-G409 PolarHBondContact O-N 2.78Å |
| 408 | P | 25.5 | Very low | 25.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 129.9 | -166.3 | -12.6 | 27.8 | 0 | 0 | 0 | 111.1 | ||
| 409 | G | 24.7 | Very low | 25.6 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 149.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L407 C411 | L407-G409 PolarHBondContact O-N 2.78Å; G409-C411 PolarHBondContact O-N 3.36Å |
| 410 | P | 28.9 | Very low | 25.5 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.6 | -175.8 | -12.7 | 26.6 | 0 | 0 | 0 | 111.4 | S412 | P410-S412 PolarHBondContact O-N 3.02Š|
| 411 | C | 22.6 | Very low | 25.3 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 124.2 | 175 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | G409 S413 | G409-C411 PolarHBondContact O-N 3.36Å; C411-S413 PolarHBondContact O-N 3.45Å |
| 412 | S | 23.4 | Very low | 24.9 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 111.8 | 169 | 52.7 | 0 | 0 | 0 | 0 | 110 | P410 | P410-S412 PolarHBondContact O-N 3.02Š| ||
| 413 | S | 26.1 | Very low | 24.8 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.8 | 163.1 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | C411 | C411-S413 PolarHBondContact O-N 3.45Š|
| 414 | S | 24 | Very low | 24.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147 | -165.5 | 47.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 415 | S | 23.7 | Very low | 24.2 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126 | 165.2 | 52 | 0 | 0 | 0 | 0 | 113.7 | ||
| 416 | F | 24.6 | Very low | 24 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 129.8 | 151.5 | -94.1 | -85.4 | 0 | 0 | 0 | 109.2 | ||
| 417 | E | 23.5 | Very low | 23.8 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 151.7 | 177.8 | -92.7 | 172.3 | -172.6 | 0 | 0 | 112.7 | R1178 | E417-R1178 IonicContact OE1-CZ 2.77Å; E417-R1178 IonicContact OE1-NH1 3.37Å; E417-R1178 IonicContact OE1-NH2 3.9Å; E417-R1178 PolarHBondContact OE1-NH2 2.75Å |
| 418 | P | 23.8 | Very low | 23.5 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 117.2 | -177.3 | 22.4 | -10.2 | 0 | 0 | 0 | 110.9 | N420 | P418-N420 PolarHBondContact O-N 2.78Å; P418-N420 VanDerWaalsContact O-N 3.14Å |
| 419 | I | 23.8 | Very low | 23.3 | Very low | 154 Ų | 154 | 132 Ų | 132 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 104.2 | 171.5 | -61.5 | 173.6 | 0 | 0 | 0 | 108.5 | S421 | I419-S421 PolarHBondContact O-N 2.82Š| ||
| 420 | N | 21.8 | Very low | 23.2 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -69.3 | 107.1 | 158.6 | -85.9 | -27.9 | 0 | 0 | 0 | 109 | P418 | P418-N420 PolarHBondContact O-N 2.78Å; P418-N420 VanDerWaalsContact O-N 3.14Å | ||
| 421 | S | 22.5 | Very low | 22.8 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | -156.5 | 111.1 | 151.4 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | I419 S423 | I419-S421 PolarHBondContact O-N 2.82Å; S421-S423 PolarHBondContact O-N 3.37Å | ||
| 422 | S | 21.1 | Very low | 22.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -56.2 | 110.5 | 160.1 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 423 | S | 23.2 | Very low | 22.9 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -148.7 | 98.3 | 157.6 | 56.5 | 0 | 0 | 0 | 0 | 109 | S421 E425 | S421-S423 PolarHBondContact O-N 3.37Å; S423-E425 PolarHBondContact O-N 3.44Å | ||
| 424 | I | 22.7 | Very low | 22.8 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 89% | 0.892 | 75% | 0.754 | S | S | * | * | trans | -63.3 | 91.4 | 158.7 | -65.6 | 165 | 0 | 0 | 0 | 105.6 | ||||
| 425 | E | 22.3 | Very low | 22.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 58% | 0.575 | 76% | 0.761 | S | S | * | * | trans | -121.1 | 107.2 | 162.7 | -100.9 | -170.4 | -177.9 | 0 | 0 | 107.4 | S423 R427 | S423-E425 PolarHBondContact O-N 3.44Å; E425-R427 HydrophobicContact CB-CG 4.39Å; E425-R427 PolarHBondContact O-N 2.83Å; E425-R427 IonicContact OE2-CZ 2.65Å; E425-R427 IonicContact OE2-NE 3.13Å; E425-R427 PolarHBondContact OE2-NE 2.94Å; E425-R427 IonicContact OE2-NH2 3.63Å; E425-R427 PolarHBondContact OE2-NH2 3.1Å | ||
| 426 | T | 22.6 | Very low | 22.8 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | -56.7 | 78.2 | 161.4 | 38.6 | 0 | 0 | 0 | 0 | 109.7 | K428 | T426-K428 PolarHBondContact O-N 2.84Š| ||
| 427 | R | 21 | Very low | 22.9 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 103.3 | 169 | -76.7 | -172.6 | -176.7 | -166.3 | 0.3 | 108.5 | E425 | E425-R427 HydrophobicContact CB-CG 4.39Å; E425-R427 PolarHBondContact O-N 2.83Å; E425-R427 IonicContact OE2-CZ 2.65Å; E425-R427 IonicContact OE2-NE 3.13Å; E425-R427 PolarHBondContact OE2-NE 2.94Å; E425-R427 IonicContact OE2-NH2 3.63Å; E425-R427 PolarHBondContact OE2-NH2 3.1Å | ||
| 428 | K | 21.5 | Very low | 23 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | trans | 12.9 | 120.2 | 145.5 | -68.2 | 177 | 176.4 | 177.5 | 0 | 113.9 | T426 V430 | T426-K428 PolarHBondContact O-N 2.84Å; K428-V430 PolarHBondContact O-N 2.76Å | ||
| 429 | S | 21 | Very low | 23.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -24.8 | 97 | 163.4 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | A431 | S429-A431 PolarHBondContact O-N 2.81Å; S429-A431 VanDerWaalsContact O-N 3.12Å | ||
| 430 | V | 22.4 | Very low | 23.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -66.8 | 113.6 | 162.3 | 173.3 | 0 | 0 | 0 | 0 | 103.7 | K428 L432 | K428-V430 PolarHBondContact O-N 2.76Å; V430-L432 PolarHBondContact O-N 2.93Å | ||
| 431 | A | 21.7 | Very low | 23.6 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -47.7 | 107.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | S429 | S429-A431 PolarHBondContact O-N 2.81Å; S429-A431 VanDerWaalsContact O-N 3.12Å | ||
| 432 | L | 22.9 | Very low | 23.9 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | -54.1 | 140.1 | 160.2 | -136.8 | 87.2 | 0 | 0 | 0 | 105.7 | V430 T434 | V430-L432 PolarHBondContact O-N 2.93Å; L432-T434 PolarHBondContact O-N 3.34Å | ||
| 433 | P | 24.3 | Very low | 24.5 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -48.5 | 109.7 | -173.7 | -23.8 | 33 | 0 | 0 | 0 | 109.9 | K435 | P433-K435 PolarHBondContact O-N 2.95Š| ||
| 434 | T | 25.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -55.9 | 111.6 | 163.1 | 41.7 | 0 | 0 | 0 | 0 | 105.7 | L432 | L432-T434 PolarHBondContact O-N 3.34Š|
| 435 | K | 24.5 | Very low | 26 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | 101.5 | 57.9 | -172.4 | -56.6 | 171.7 | 178.9 | -177.6 | 0 | 115.3 | P433 | P433-K435 PolarHBondContact O-N 2.95Š| ||
| 436 | C | 22.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | S | Bend | -82.1 | 116.6 | 123 | -75.1 | 0 | 0 | 0 | 0 | 104.9 | G438 | C436-G438 PolarHBondContact O-N 3.47Å; C436-G438 VanDerWaalsContact O-N 3.08Å | |
| 437 | P | 26.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -55.7 | 125.6 | 177.4 | 24.9 | -29.9 | 0 | 0 | 0 | 105.7 | L439 | P437-L439 PolarHBondContact O-N 3.28Š| ||
| 438 | G | 24.6 | Very low | 30.9 | Very low | 61 Ų | 61 | 114.3 Ų | 114.3 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | trans | -46 | 134.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | C436 S440 | C436-G438 PolarHBondContact O-N 3.47Å; C436-G438 VanDerWaalsContact O-N 3.08Å; G438-S440 PolarHBondContact O-N 2.81Å | ||
| 439 | L | 27.1 | Very low | 33 | Very low | 168 Ų | 168 | 107.3 Ų | 107.3 | 88% | 0.88 | 65% | 0.645 | S | S | * | * | trans | -62.9 | 66.4 | 161.7 | -68 | 163.3 | 0 | 0 | 0 | 106.7 | P437 H441 | P437-L439 PolarHBondContact O-N 3.28Å; L439-H441 PolarHBondContact O-N 3.19Å | ||
| 440 | S | 25 | Very low | 35.5 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | trans | -55.9 | 123.1 | 142.5 | 59.5 | 0 | 0 | 0 | 0 | 102.9 | G438 H442 | G438-S440 PolarHBondContact O-N 2.81Å; S440-H442 PolarHBondContact O-N 2.84Å; S440-H442 PolarHBondContact OG-CD2 3.13Å; S440-H442 VanDerWaalsContact OG-CD2 3.26Å | ||
| 441 | H | 30.3 | Very low | 38 | Very low | 170 Ų | 170 | 97.3 Ų | 97.3 | 79% | 0.787 | 58% | 0.576 | S | S | * | * | trans | -60.5 | 82.4 | 167.9 | -65 | -77.5 | 0 | 0 | 0 | 106.6 | L439 I443 | L439-H441 PolarHBondContact O-N 3.19Å; H441-I443 HydrophobicContact CB-CD1 4.43Å; H441-I443 HydrophobicContact CB-CG1 4.08Å; H441-I443 PolarHBondContact O-N 3.14Å | ||
| 442 | H | 28.7 | Very low | 40.5 | Very low | 167 Ų | 167 | 93.6 Ų | 93.6 | 77% | 0.773 | 55% | 0.545 | S | S | * | . | trans | -71.6 | 75.4 | 164.9 | -103.3 | -66.4 | 0 | 0 | 0 | 105.2 | S440 P444 | S440-H442 PolarHBondContact O-N 2.84Å; S440-H442 PolarHBondContact OG-CD2 3.13Å; S440-H442 VanDerWaalsContact OG-CD2 3.26Å; H442-P444 VanDerWaalsContact O-CD 3.25Å; H442-P444 WeakPolarHBondContact O-CD 3.26Å | ||
| 443 | I | 34.4 | Very low | 43 | Very low | 101 Ų | 101 | 89 Ų | 89 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | trans | -60.1 | 116.2 | 173.3 | -63.1 | 162.4 | 0 | 0 | 0 | 105.3 | H441 P445 | H441-I443 HydrophobicContact CB-CD1 4.43Å; H441-I443 HydrophobicContact CB-CG1 4.08Å; H441-I443 PolarHBondContact O-N 3.14Å; I443-P445 WeakPolarHBondContact O-CD 3.46Å | ||
| 444 | P | 35.4 | Very low | 45.4 | Very low | 76 Ų | 76 | 84.2 Ų | 84.2 | 49% | 0.494 | 49% | 0.486 | S | S | . | . | trans | -58 | 126.6 | 174.6 | -19.7 | 31.3 | 0 | 0 | 0 | 108.1 | H442 G446 | H442-P444 VanDerWaalsContact O-CD 3.25Å; H442-P444 WeakPolarHBondContact O-CD 3.26Å; P444-G446 PolarHBondContact O-N 3.15Å | ||
| 445 | P | 41.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 80.7 Ų | 80.7 | 91% | 0.909 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 80.7 | 176.4 | 29.5 | -32.4 | 0 | 0 | 0 | 108.4 | I443 | I443-P445 WeakPolarHBondContact O-CD 3.46Š|
| 446 | G | 48.6 | Very low | 49.6 | Very low | 60 Ų | 60 | 71.9 Ų | 71.9 | 62% | 0.619 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -178.9 | -10.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | P444 P448 | P444-G446 PolarHBondContact O-N 3.15Å; G446-P448 WeakPolarHBondContact O-CD 3.46Å |
| 447 | N | 55.5 | Low | 51.8 | Low | 40 Ų | 40 | 70.9 Ų | 70.9 | 21% | 0.214 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 122 | 179.8 | -72.4 | -3.5 | 0 | 0 | 0 | 110.6 | Q484 | N447-Q484 VanDerWaalsContact CB-O 3.28Å; N447-Q484 WeakPolarHBondContact CB-O 3.13Å; N447-Q484 VanDerWaalsContact CG-O 3.26Å; N447-Q484 PolarHBondContact ND2-OE1 3.49Å |
| 448 | P | 64.6 | Low | 53.7 | Low | 23 Ų | 23 | 69.5 Ų | 69.5 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 139 | 178 | 23.5 | -32.9 | 0 | 0 | 0 | 111.2 | G446 F485 R486 Y606 | G446-P448 WeakPolarHBondContact O-CD 3.46Å; P448-F485 HydrophobicContact CB-CD1 4.2Å; P448-F485 HydrophobicContact CB-CE1 4.29Å; P448-F485 HydrophobicContact CG-CD1 3.5Å; P448-F485 VanDerWaalsContact CG-CD1 3.5Å; P448-F485 HydrophobicContact CG-CE1 3.47Å; P448-F485 VanDerWaalsContact CG-CE1 3.47Å; P448-F485 HydrophobicContact CG-CG 4.35Å; P448-F485 HydrophobicContact CG-CZ 4.3Å; P448-R486 PolarHBondContact O-N 2.95Å; P448-Y606 HydrophobicContact CB-CD2 4.01Å; P448-Y606 HydrophobicContact CB-CE2 3.64Å |
| 449 | F | 66.1 | Low | 55.6 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.6 | -177.8 | -165.7 | -89.7 | 0 | 0 | 0 | 109.1 | K451 R486 T488 T604 E605 Y606 | F449-K451 HydrophobicContact CD1-CD 4.37Å; F449-K451 HydrophobicContact CD1-CG 3.82Å; F449-K451 HydrophobicContact CE1-CD 4.07Å; F449-K451 HydrophobicContact CE1-CG 3.5Å; F449-K451 VanDerWaalsContact CE1-CG 3.5Å; F449-R486 CarbonylContact C-O 3.57Å; F449-R486 HydrophobicContact CD2-CB 3.8Å; F449-R486 HydrophobicContact CD2-CG 3.64Å; F449-R486 HydrophobicContact CE2-CB 4.25Å; F449-R486 HydrophobicContact CE2-CG 3.56Å; F449-T488 WeakPolarHBondContact CZ-OG1 3.43Å; F449-T604 PolarHBondContact N-O 2.88Å; F449-E605 HydrophobicContact CB-CG 4.35Å; F449-E605 CarbonylContact O-C 3.46Å; F449-E605 VanDerWaalsContact O-CA 3.28Å; F449-E605 WeakPolarHBondContact O-CA 3.35Å; F449-Y606 PolarHBondContact O-N 3.49Å |
| 450 | V | 73.2 | Confident | 57.1 | Low | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.4 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | I452 F485 R486 V487 T488 Y606 V608 L689 T692 | V450-I452 HydrophobicContact CG1-CG1 4.34Å; V450-F485 HydrophobicContact CG2-CB 4.28Å; V450-F485 HydrophobicContact CG2-CD1 3.75Å; V450-F485 HydrophobicContact CG2-CG 4.42Å; V450-R486 PolarHBondContact N-O 2.85Å; V450-V487 CarbonylContact O-C 3.59Å; V450-V487 WeakPolarHBondContact O-CA 3.34Å; V450-T488 PolarHBondContact O-N 2.78Å; V450-Y606 CarbonylContact C-O 3.58Å; V450-Y606 VanDerWaalsContact CA-O 3.3Å; V450-Y606 WeakPolarHBondContact CA-O 3.34Å; V450-Y606 HydrophobicContact CG2-CD2 4.4Å; V450-V608 HydrophobicContact CG1-CG2 4.24Å; V450-L689 HydrophobicContact CB-CD2 4.24Å; V450-L689 HydrophobicContact CG1-CD2 4.09Å; V450-L689 HydrophobicContact CG2-CD2 3.85Å; V450-T692 HydrophobicContact CG1-CG2 4Å |
| 451 | K | 73.9 | Confident | 59.1 | Low | 41 Ų | 41 | 61.5 Ų | 61.5 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.7 | 174.2 | -69.6 | 174.4 | -172.4 | 158.2 | 0 | 109.6 | F449 Y453 T488 E605 Y606 C607 V608 | F449-K451 HydrophobicContact CD1-CD 4.37Å; F449-K451 HydrophobicContact CD1-CG 3.82Å; F449-K451 HydrophobicContact CE1-CD 4.07Å; F449-K451 HydrophobicContact CE1-CG 3.5Å; F449-K451 VanDerWaalsContact CE1-CG 3.5Å; K451-Y453 HydrophobicContact CB-CD2 4.2Å; K451-Y453 HydrophobicContact CB-CE2 3.57Å; K451-Y453 HydrophobicContact CD-CE2 4.35Å; K451-Y453 WeakPolarHBondContact CD-OH 3.41Å; K451-T488 CarbonylContact C-O 3.45Å; K451-T488 WeakPolarHBondContact CA-O 3.25Å; K451-E605 IonicContact NZ-OE1 2.92Å; K451-E605 PolarHBondContact NZ-OE1 3.11Å; K451-E605 IonicContact NZ-OE2 2.98Å; K451-E605 PolarHBondContact NZ-OE2 3.44Å; K451-Y606 PolarHBondContact N-O 2.8Å; K451-C607 WeakPolarHBondContact O-CA 3.27Å; K451-V608 PolarHBondContact O-N 3.21Å |
| 452 | I | 75.9 | Confident | 61 | Low | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 106.6 | 173.5 | -55.6 | 176.9 | 0 | 0 | 0 | 108.2 | V450 V454 V487 T488 V489 L490 V608 L610 L688 | V450-I452 HydrophobicContact CG1-CG1 4.34Å; I452-V454 HydrophobicContact CG2-CG2 4.45Å; I452-V487 HydrophobicContact CD1-CG1 3.61Å; I452-V487 HydrophobicContact CG1-CG1 4.11Å; I452-T488 PolarHBondContact N-O 3.33Å; I452-V489 HydrophobicContact CB-CG2 4.4Å; I452-V489 HydrophobicContact CD1-CG2 4.49Å; I452-V489 WeakPolarHBondContact O-CA 3.4Å; I452-L490 PolarHBondContact O-N 3.09Å; I452-V608 CarbonylContact C-O 3.51Å; I452-V608 WeakPolarHBondContact CA-O 3.49Å; I452-V608 HydrophobicContact CG1-CB 4.42Å; I452-L610 HydrophobicContact CG2-CB 4.44Å; I452-L688 HydrophobicContact CD1-CD1 4.36Å |
| 453 | Y | 74.6 | Confident | 62.6 | Low | 57 Ų | 57 | 51.3 Ų | 51.3 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 106.8 | 175.6 | -68.2 | -85.5 | 0 | 0 | 0 | 110.2 | K451 R455 L490 C607 V608 Y609 L610 | K451-Y453 HydrophobicContact CB-CD2 4.2Å; K451-Y453 HydrophobicContact CB-CE2 3.57Å; K451-Y453 HydrophobicContact CD-CE2 4.35Å; K451-Y453 WeakPolarHBondContact CD-OH 3.41Å; Y453-R455 PolarHBondContact O-N 2.91Å; Y453-L490 CarbonylContact C-O 3.53Å; Y453-L490 WeakPolarHBondContact CA-O 3.48Å; Y453-L490 HydrophobicContact CD1-CB 3.98Å; Y453-L490 HydrophobicContact CD1-CD1 4.06Å; Y453-L490 HydrophobicContact CE1-CB 4.19Å; Y453-L490 HydrophobicContact CE1-CD1 3.44Å; Y453-L490 VanDerWaalsContact CE1-CD1 3.44Å; Y453-L490 HydrophobicContact CE1-CG 4.45Å; Y453-C607 HydrophobicContact CD2-CB 4.47Å; Y453-C607 HydrophobicContact CE2-CB 4.18Å; Y453-V608 PolarHBondContact N-O 3.23Å; Y453-Y609 HydrophobicContact CD2-CD2 4.37Å; Y453-Y609 HydrophobicContact CD2-CE1 4.3Å; Y453-Y609 HydrophobicContact CD2-CE2 4Å; Y453-Y609 AromaticContact CD2-CZ 3.99Å; Y453-Y609 HydrophobicContact CE2-CE2 4.49Å; Y453-Y609 HydrophobicContact CG-CD1 4.4Å; Y453-Y609 HydrophobicContact CG-CE1 4.2Å; Y453-Y609 CarbonylContact O-C 3.49Å; Y453-Y609 WeakPolarHBondContact O-CA 3.5Å; Y453-L610 PolarHBondContact O-N 2.87Å |
| 454 | V | 75.2 | Confident | 64 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 109.5 | 174.4 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | I452 V464 A465 I468 V489 L490 N492 L610 I612 | I452-V454 HydrophobicContact CG2-CG2 4.45Å; V454-V464 HydrophobicContact CG1-CB 4.27Å; V454-V464 HydrophobicContact CG1-CG1 4.36Å; V454-A465 HydrophobicContact CB-CB 4.1Å; V454-A465 HydrophobicContact CG2-CB 4.02Å; V454-I468 HydrophobicContact CG2-CD1 4.18Å; V454-V489 HydrophobicContact CG2-CG1 3.77Å; V454-L490 PolarHBondContact N-O 3.01Å; V454-N492 PolarHBondContact O-N 2.98Å; V454-L610 WeakPolarHBondContact CA-O 3.26Å; V454-L610 HydrophobicContact CG2-CD2 4.36Å; V454-I612 HydrophobicContact CG1-CD1 3.36Å; V454-I612 HydrophobicContact CG1-CG1 4.06Å |
| 455 | R | 68.9 | Low | 65.7 | Low | 52 Ų | 52 | 43.4 Ų | 43.4 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.6 | -177.2 | -65.8 | -126.7 | 170.9 | 169.6 | 8.6 | 110.7 | Y453 N492 Y609 L610 F611 I612 E629 | Y453-R455 PolarHBondContact O-N 2.91Å; R455-N492 WeakPolarHBondContact CA-ND2 3.16Å; R455-N492 WeakPolarHBondContact CD-OD1 3.49Å; R455-N492 VanDerWaalsContact CG-OD1 3.3Å; R455-N492 WeakPolarHBondContact CG-OD1 3.22Å; R455-N492 PolarHBondContact NE-OD1 2.72Å; R455-Y609 HydrophobicContact CG-CD1 4.33Å; R455-L610 PolarHBondContact N-O 3.38Å; R455-F611 HydrophobicContact CB-CD1 3.73Å; R455-F611 HydrophobicContact CB-CE1 3.82Å; R455-F611 HydrophobicContact CB-CG 4.34Å; R455-F611 HydrophobicContact CB-CZ 4.5Å; R455-F611 HydrophobicContact CG-CE1 4.37Å; R455-F611 CarbonylContact O-C 3.5Å; R455-F611 WeakPolarHBondContact O-CA 3.35Å; R455-I612 PolarHBondContact O-N 2.83Å; R455-E629 IonicContact CZ-OE1 2.88Å; R455-E629 IonicContact NH1-OE1 3.97Å; R455-E629 PolarHBondContact NH1-OE1 2.9Å; R455-E629 IonicContact NH2-OE1 3.38Å; R455-E629 PolarHBondContact NH2-OE1 2.75Å |
| 456 | G | 69.7 | Low | 66.9 | Low | 9 Ų | 9 | 38.3 Ų | 38.3 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 160.2 | -165.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T458 N492 I612 | G456-T458 PolarHBondContact O-N 3.04Å; G456-N492 PolarHBondContact N-ND2 2.93Å; G456-N492 VanDerWaalsContact N-ND2 3.15Å; G456-N492 PolarHBondContact O-ND2 3.33Å; G456-I612 WeakPolarHBondContact CA-O 3.39Å |
| 457 | Q | 68 | Low | 67.3 | Low | 90 Ų | 90 | 35.9 Ų | 35.9 | 42% | 0.421 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -58.3 | 138.9 | 170.2 | -148.3 | -170.9 | 17.4 | 0 | 0 | 109.6 | E459 T460 S461 E618 | Q457-E459 PolarHBondContact O-N 2.82Å; Q457-E459 VanDerWaalsContact O-N 3.12Å; Q457-T460 PolarHBondContact O-N 2.88Å; Q457-T460 VanDerWaalsContact O-N 3.17Å; Q457-S461 WeakPolarHBondContact O-CB 3.44Å; Q457-S461 PolarHBondContact O-N 2.66Å; Q457-S461 PolarHBondContact O-OG 3.06Å; Q457-E618 PolarHBondContact OE1-OE1 3.5Å |
| 458 | T | 67.6 | Low | 67.7 | Low | 85 Ų | 85 | 34.7 Ų | 34.7 | 52% | 0.521 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -52.5 | -41.2 | -169.7 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | G456 S461 S462 | G456-T458 PolarHBondContact O-N 3.04Å; T458-S461 PolarHBondContact O-OG 3.12Å; T458-S462 WeakPolarHBondContact O-CB 3.3Å; T458-S462 PolarHBondContact O-N 2.95Å; T458-S462 PolarHBondContact O-OG 3.22Å |
| 459 | E | 63.2 | Low | 67.7 | Low | 119 Ų | 119 | 38.8 Ų | 38.8 | 56% | 0.556 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65 | -60.4 | 177.9 | -65.2 | 175.7 | 179.4 | 0 | 0 | 110.5 | Q457 S461 S462 Y463 | Q457-E459 PolarHBondContact O-N 2.82Å; Q457-E459 VanDerWaalsContact O-N 3.12Å; E459-S461 VanDerWaalsContact C-N 3.35Å; E459-S461 PolarHBondContact O-N 2.81Å; E459-S462 PolarHBondContact O-N 3.03Å; E459-Y463 HydrophobicContact CB-CD2 4.4Å; E459-Y463 HydrophobicContact CB-CE2 4.23Å; E459-Y463 WeakPolarHBondContact O-CD2 3.28Å; E459-Y463 PolarHBondContact O-N 3.42Å |
| 460 | T | 58.6 | Low | 67.3 | Low | 18 Ų | 18 | 42.4 Ų | 42.4 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.1 | -48.2 | -179.5 | -41.6 | 0 | 0 | 0 | 0 | 112.3 | Q457 Y463 V464 I612 | Q457-T460 PolarHBondContact O-N 2.88Å; Q457-T460 VanDerWaalsContact O-N 3.17Å; T460-Y463 PolarHBondContact O-N 3.13Å; T460-V464 VanDerWaalsContact O-CG2 3.24Å; T460-V464 WeakPolarHBondContact O-CG2 3Å; T460-V464 PolarHBondContact O-N 3.25Å; T460-I612 HydrophobicContact CG2-CG2 3.82Å |
| 461 | S | 68.3 | Low | 66.1 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | -178.3 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | Q457 T458 E459 A465 | Q457-S461 WeakPolarHBondContact O-CB 3.44Å; Q457-S461 PolarHBondContact O-N 2.66Å; Q457-S461 PolarHBondContact O-OG 3.06Å; T458-S461 PolarHBondContact O-OG 3.12Å; E459-S461 VanDerWaalsContact C-N 3.35Å; E459-S461 PolarHBondContact O-N 2.81Å; S461-A465 VanDerWaalsContact O-CB 3.26Å; S461-A465 WeakPolarHBondContact O-CB 3.42Å; S461-A465 PolarHBondContact O-N 3.12Å |
| 462 | S | 69.5 | Low | 65 | Low | 41 Ų | 41 | 42.4 Ų | 42.4 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67 | -41.2 | 176 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | T458 E459 A466 | T458-S462 WeakPolarHBondContact O-CB 3.3Å; T458-S462 PolarHBondContact O-N 2.95Å; T458-S462 PolarHBondContact O-OG 3.22Å; E459-S462 PolarHBondContact O-N 3.03Å; S462-A466 WeakPolarHBondContact O-CB 3.38Å; S462-A466 PolarHBondContact O-N 3.3Å |
| 463 | Y | 62.8 | Low | 63.9 | Low | 81 Ų | 81 | 47.9 Ų | 47.9 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 177 | -75.7 | -60.4 | 0 | 0 | 0 | 112.1 | E459 T460 A466 A467 R656 I659 | E459-Y463 HydrophobicContact CB-CD2 4.4Å; E459-Y463 HydrophobicContact CB-CE2 4.23Å; E459-Y463 WeakPolarHBondContact O-CD2 3.28Å; E459-Y463 PolarHBondContact O-N 3.42Å; T460-Y463 PolarHBondContact O-N 3.13Å; Y463-A466 PolarHBondContact O-N 3.42Å; Y463-A467 WeakPolarHBondContact O-CB 3.17Å; Y463-A467 PolarHBondContact O-N 3.43Å; Y463-R656 HydrophobicContact CE1-CG 4.49Å; Y463-I659 HydrophobicContact CG-CD1 4.19Å |
| 464 | V | 63.6 | Low | 62.9 | Low | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 178.9 | 177 | 0 | 0 | 0 | 0 | 111.2 | V454 T460 A466 A467 I468 I612 I645 | V454-V464 HydrophobicContact CG1-CB 4.27Å; V454-V464 HydrophobicContact CG1-CG1 4.36Å; T460-V464 VanDerWaalsContact O-CG2 3.24Å; T460-V464 WeakPolarHBondContact O-CG2 3Å; T460-V464 PolarHBondContact O-N 3.25Å; V464-A466 VanDerWaalsContact C-N 3.3Å; V464-A466 PolarHBondContact O-N 3.49Å; V464-A467 PolarHBondContact O-N 3.23Å; V464-I468 HydrophobicContact CG1-CD1 3.78Å; V464-I468 HydrophobicContact CG1-CG1 4.17Å; V464-I468 VanDerWaalsContact O-CG1 3.28Å; V464-I468 WeakPolarHBondContact O-CG1 3.46Å; V464-I468 PolarHBondContact O-N 3.11Å; V464-I612 HydrophobicContact CB-CD1 3.61Å; V464-I612 HydrophobicContact CG1-CD1 3.29Å; V464-I612 HydrophobicContact CG2-CD1 3.82Å; V464-I612 HydrophobicContact CG2-CG2 4.46Å; V464-I645 HydrophobicContact CG2-CD1 3.38Å |
| 465 | A | 70.8 | Confident | 62.1 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V454 S461 R469 V489 | V454-A465 HydrophobicContact CB-CB 4.1Å; V454-A465 HydrophobicContact CG2-CB 4.02Å; S461-A465 VanDerWaalsContact O-CB 3.26Å; S461-A465 WeakPolarHBondContact O-CB 3.42Å; S461-A465 PolarHBondContact O-N 3.12Å; A465-R469 WeakPolarHBondContact O-CB 3.35Å; A465-R469 VanDerWaalsContact O-CG 3.3Å; A465-R469 WeakPolarHBondContact O-CG 3.44Å; A465-R469 PolarHBondContact O-N 2.97Å; A465-V489 HydrophobicContact CB-CG1 4.01Å |
| 466 | A | 65.4 | Low | 61.9 | Low | 32 Ų | 32 | 53.6 Ų | 53.6 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S462 Y463 V464 I468 R469 D470 | S462-A466 WeakPolarHBondContact O-CB 3.38Å; S462-A466 PolarHBondContact O-N 3.3Å; Y463-A466 PolarHBondContact O-N 3.42Å; V464-A466 VanDerWaalsContact C-N 3.3Å; V464-A466 PolarHBondContact O-N 3.49Å; A466-I468 PolarHBondContact O-N 3.12Å; A466-R469 PolarHBondContact O-N 3.2Å; A466-D470 WeakPolarHBondContact O-CB 3.31Å; A466-D470 PolarHBondContact O-N 3.24Å |
| 467 | A | 58.5 | Low | 61.6 | Low | 10 Ų | 10 | 54.7 Ų | 54.7 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y463 V464 R469 D470 L471 I659 | Y463-A467 WeakPolarHBondContact O-CB 3.17Å; Y463-A467 PolarHBondContact O-N 3.43Å; V464-A467 PolarHBondContact O-N 3.23Å; A467-R469 VanDerWaalsContact C-N 3.32Å; A467-R469 PolarHBondContact O-N 2.74Å; A467-D470 PolarHBondContact O-N 3.45Å; A467-L471 HydrophobicContact CB-CD1 4.38Å; A467-L471 WeakPolarHBondContact O-CB 3.24Å; A467-L471 WeakPolarHBondContact O-CD1 3.47Å; A467-L471 WeakPolarHBondContact O-CG 3.42Å; A467-L471 PolarHBondContact O-N 2.93Å; A467-I659 HydrophobicContact CB-CG2 3.91Å |
| 468 | I | 62.5 | Low | 61.5 | Low | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.1 | -62.2 | 167.1 | 0 | 0 | 0 | 110.8 | V454 V464 A466 C472 V489 L610 | V454-I468 HydrophobicContact CG2-CD1 4.18Å; V464-I468 HydrophobicContact CG1-CD1 3.78Å; V464-I468 HydrophobicContact CG1-CG1 4.17Å; V464-I468 VanDerWaalsContact O-CG1 3.28Å; V464-I468 WeakPolarHBondContact O-CG1 3.46Å; V464-I468 PolarHBondContact O-N 3.11Å; A466-I468 PolarHBondContact O-N 3.12Å; I468-C472 PolarHBondContact O-N 3.5Å; I468-V489 HydrophobicContact CB-CG1 4.26Å; I468-V489 HydrophobicContact CB-CG2 4.47Å; I468-V489 HydrophobicContact CG2-CG1 4.29Å; I468-V489 HydrophobicContact CG2-CG2 3.71Å; I468-L610 HydrophobicContact CD1-CD2 4.23Å |
| 469 | R | 66.2 | Low | 61.3 | Low | 108 Ų | 108 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.4 | -74.9 | -173.6 | -64.4 | -110.8 | 1 | 113 | A465 A466 A467 C472 V489 | A465-R469 WeakPolarHBondContact O-CB 3.35Å; A465-R469 VanDerWaalsContact O-CG 3.3Å; A465-R469 WeakPolarHBondContact O-CG 3.44Å; A465-R469 PolarHBondContact O-N 2.97Å; A466-R469 PolarHBondContact O-N 3.2Å; A467-R469 VanDerWaalsContact C-N 3.32Å; A467-R469 PolarHBondContact O-N 2.74Å; R469-C472 CarbonylContact O-C 3.51Å; R469-V489 HydrophobicContact CG-CB 3.92Å; R469-V489 PolarHBondContact NH1-O 2.87Å |
| 470 | D | 55.8 | Low | 61 | Low | 116 Ų | 116 | 54.5 Ų | 54.5 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -73.9 | -39.9 | -179.8 | -73.8 | -8.5 | 0 | 0 | 0 | 111.6 | A466 A467 C472 | A466-D470 WeakPolarHBondContact O-CB 3.31Å; A466-D470 PolarHBondContact O-N 3.24Å; A467-D470 PolarHBondContact O-N 3.45Å; D470-C472 VanDerWaalsContact C-N 3.34Å |
| 471 | L | 49.8 | Very low | 61.2 | Low | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -29.4 | -178.9 | -69.8 | 168.1 | 0 | 0 | 0 | 112.4 | A467 V676 L681 | A467-L471 HydrophobicContact CB-CD1 4.38Å; A467-L471 WeakPolarHBondContact O-CB 3.24Å; A467-L471 WeakPolarHBondContact O-CD1 3.47Å; A467-L471 WeakPolarHBondContact O-CG 3.42Å; A467-L471 PolarHBondContact O-N 2.93Å; L471-V676 HydrophobicContact CD2-CB 3.96Å; L471-V676 HydrophobicContact CD2-CG1 4.44Å; L471-V676 HydrophobicContact CD2-CG2 3.34Å; L471-L681 HydrophobicContact CB-CD2 4.24Å |
| 472 | C | 50.3 | Low | 60.9 | Low | 24 Ų | 24 | 62.1 Ų | 62.1 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | trans | -137.1 | 95.4 | -177.6 | -132.9 | 0 | 0 | 0 | 0 | 108.2 | I468 R469 D470 L474 L681 L685 | I468-C472 PolarHBondContact O-N 3.5Å; R469-C472 CarbonylContact O-C 3.51Å; D470-C472 VanDerWaalsContact C-N 3.34Å; C472-L474 HydrophobicContact CB-CD1 3.6Å; C472-L474 HydrophobicContact CB-CD2 4.3Å; C472-L474 HydrophobicContact CB-CG 3.53Å; C472-L474 PolarHBondContact O-N 2.55Å; C472-L474 WeakPolarHBondContact SG-CD2 3.14Å; C472-L474 WeakPolarHBondContact SG-CG 3.49Å; C472-L681 HydrophobicContact CB-CD2 4.3Å; C472-L685 HydrophobicContact CB-CD1 4.26Å; C472-L685 WeakPolarHBondContact SG-CD1 3.28Å | ||
| 473 | P | 53.1 | Low | 60.8 | Low | 118 Ų | 118 | 67.3 Ų | 67.3 | 77% | 0.766 | 34% | 0.343 | S | S | * | . | trans | -70 | 59.9 | 171 | 30.3 | -33.6 | 0 | 0 | 0 | 109.2 | E475 | P473-E475 PolarHBondContact O-N 2.85Š| ||
| 474 | L | 53.3 | Low | 61.1 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | trans | -77.8 | 69.6 | -177.2 | -64.9 | 165.2 | 0 | 0 | 0 | 108.4 | C472 Y477 V487 L685 | C472-L474 HydrophobicContact CB-CD1 3.6Å; C472-L474 HydrophobicContact CB-CD2 4.3Å; C472-L474 HydrophobicContact CB-CG 3.53Å; C472-L474 PolarHBondContact O-N 2.55Å; C472-L474 WeakPolarHBondContact SG-CD2 3.14Å; C472-L474 WeakPolarHBondContact SG-CG 3.49Å; L474-Y477 HydrophobicContact CD2-CD2 4.08Å; L474-V487 HydrophobicContact CB-CB 3.97Å; L474-V487 HydrophobicContact CD1-CB 4.33Å; L474-V487 HydrophobicContact CD1-CG1 4.23Å; L474-L685 HydrophobicContact CD1-CD1 3.71Å; L474-L685 HydrophobicContact CD1-CD2 3.63Å; L474-L685 HydrophobicContact CD1-CG 4.33Å; L474-L685 HydrophobicContact CD2-CD1 4.29Å; L474-L685 HydrophobicContact CG-CD1 4.48Å | ||
| 475 | E | 58.9 | Low | 61.3 | Low | 133 Ų | 133 | 66 Ų | 66 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -62.3 | -30.9 | 150.2 | -69.4 | -164.9 | 162.8 | 0 | 0 | 109.1 | P473 R486 | P473-E475 PolarHBondContact O-N 2.85Å; E475-R486 WeakPolarHBondContact O-CA 3.26Å; E475-R486 WeakPolarHBondContact O-CG 3.4Å |
| 476 | F | 62.9 | Low | 61.3 | Low | 74 Ų | 74 | 71.8 Ų | 71.8 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | trans | -143.5 | 138.9 | -178.9 | -55.8 | -81.1 | 0 | 0 | 0 | 112.4 | Q484 F485 | F476-Q484 HydrophobicContact CB-CG 4.14Å; F476-Q484 HydrophobicContact CD1-CG 4.13Å; F476-F485 CarbonylContact C-O 3.52Å; F476-F485 VanDerWaalsContact CA-O 3.28Å; F476-F485 WeakPolarHBondContact CA-O 3.24Å | ||
| 477 | Y | 63.4 | Low | 61.7 | Low | 31 Ų | 31 | 70.6 Ų | 70.6 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.1 | 167.2 | -179.2 | -93.5 | 0 | 0 | 0 | 109.3 | L474 D479 Q484 F485 L685 D686 L689 | L474-Y477 HydrophobicContact CD2-CD2 4.08Å; Y477-D479 HydrophobicContact CD1-CB 4.49Å; Y477-D479 HydrophobicContact CE1-CB 3.96Å; Y477-Q484 CarbonylContact O-C 3.59Å; Y477-Q484 VanDerWaalsContact O-CA 3.23Å; Y477-Q484 WeakPolarHBondContact O-CA 3.4Å; Y477-F485 HydrophobicContact CD1-CD2 4.28Å; Y477-F485 PolarHBondContact N-O 2.9Å; Y477-F485 PolarHBondContact O-N 3.46Å; Y477-L685 HydrophobicContact CD2-CB 4.27Å; Y477-L685 HydrophobicContact CE2-CB 3.85Å; Y477-D686 VanDerWaalsContact OH-CA 3.26Å; Y477-D686 WeakPolarHBondContact OH-CA 3.32Å; Y477-D686 VanDerWaalsContact OH-CB 3.25Å; Y477-D686 WeakPolarHBondContact OH-CB 3.33Å; Y477-D686 PolarHBondContact OH-N 3.02Å; Y477-D686 PolarHBondContact OH-OD1 3.42Å; Y477-L689 HydrophobicContact CD1-CD1 2.98Å; Y477-L689 HydrophobicContact CD1-CG 4.39Å; Y477-L689 HydrophobicContact CD2-CD1 3.94Å; Y477-L689 HydrophobicContact CE1-CD1 3.25Å; Y477-L689 HydrophobicContact CE1-CG 4.49Å; Y477-L689 HydrophobicContact CE2-CD1 4.2Å; Y477-L689 HydrophobicContact CG-CD1 3.32Å |
| 478 | I | 67 | Low | 62.5 | Low | 106 Ų | 106 | 72.3 Ų | 72.3 | 54% | 0.544 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.7 | 172.4 | -58.5 | 175.4 | 0 | 0 | 0 | 107.6 | R483 Q484 | I478-R483 WeakPolarHBondContact CA-O 3.03Å; I478-Q484 HydrophobicContact CG1-CB 4.33Å; I478-Q484 HydrophobicContact CG1-CG 4.12Å |
| 479 | D | 63.1 | Low | 63.2 | Low | 14 Ų | 14 | 72.2 Ų | 72.2 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | trans | -73.6 | 171.5 | 175.8 | 77.5 | 2 | 0 | 0 | 0 | 112.4 | Y477 N481 G482 R483 F485 | Y477-D479 HydrophobicContact CD1-CB 4.49Å; Y477-D479 HydrophobicContact CE1-CB 3.96Å; D479-N481 PolarHBondContact O-N 3.41Å; D479-N481 VanDerWaalsContact OD1-C 3.28Å; D479-N481 VanDerWaalsContact OD1-CA 3.3Å; D479-N481 WeakPolarHBondContact OD1-CA 3.36Å; D479-N481 WeakPolarHBondContact OD1-CB 3.44Å; D479-N481 PolarHBondContact OD1-N 2.87Å; D479-G482 PolarHBondContact O-N 3.33Å; D479-G482 PolarHBondContact OD1-N 3.36Å; D479-R483 PolarHBondContact N-O 2.99Å; D479-R483 WeakPolarHBondContact OD1-CB 3.26Å; D479-R483 PolarHBondContact OD1-N 3.11Å; D479-F485 HydrophobicContact CB-CD2 4.5Å; D479-F485 HydrophobicContact CB-CE2 3.86Å | ||
| 480 | K | 57 | Low | 63.8 | Low | 170 Ų | 170 | 70 Ų | 70 | 74% | 0.739 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.4 | 176.5 | -70.3 | 174.9 | 175.4 | 148.2 | 0 | 114.2 | G482 D686 | K480-G482 VanDerWaalsContact C-N 3.34Å; K480-D686 WeakPolarHBondContact CD-OD2 3.13Å; K480-D686 WeakPolarHBondContact CE-OD2 3.45Å; K480-D686 IonicContact NZ-OD2 3.18Å; K480-D686 PolarHBondContact NZ-OD2 3.37Å |
| 481 | N | 62.6 | Low | 65 | Low | 124 Ų | 124 | 66.1 Ų | 66.1 | 66% | 0.663 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.1 | 177.5 | -54.2 | -45.9 | 0 | 0 | 0 | 112.3 | D479 R483 | D479-N481 PolarHBondContact O-N 3.41Å; D479-N481 VanDerWaalsContact OD1-C 3.28Å; D479-N481 VanDerWaalsContact OD1-CA 3.3Å; D479-N481 WeakPolarHBondContact OD1-CA 3.36Å; D479-N481 WeakPolarHBondContact OD1-CB 3.44Å; D479-N481 PolarHBondContact OD1-N 2.87Å; N481-R483 VanDerWaalsContact C-N 3.31Å; N481-R483 PolarHBondContact O-N 3.44Å |
| 482 | G | 62.3 | Low | 65.7 | Low | 54 Ų | 54 | 66.5 Ų | 66.5 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 77.7 | 7.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D479 K480 | D479-G482 PolarHBondContact O-N 3.33Å; D479-G482 PolarHBondContact OD1-N 3.36Å; K480-G482 VanDerWaalsContact C-N 3.34Å |
| 483 | R | 68.4 | Low | 65.5 | Low | 151 Ų | 151 | 69.1 Ų | 69.1 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | trans | -78.8 | 128.1 | 178 | -64.7 | -179.3 | 176.7 | 175.5 | 1.4 | 110.4 | I478 D479 N481 F485 | I478-R483 WeakPolarHBondContact CA-O 3.03Å; D479-R483 PolarHBondContact N-O 2.99Å; D479-R483 WeakPolarHBondContact OD1-CB 3.26Å; D479-R483 PolarHBondContact OD1-N 3.11Å; N481-R483 VanDerWaalsContact C-N 3.31Å; N481-R483 PolarHBondContact O-N 3.44Å; R483-F485 HydrophobicContact CB-CE2 3.68Å; R483-F485 HydrophobicContact CB-CZ 4.04Å; R483-F485 VanDerWaalsContact O-CD2 3.3Å; R483-F485 WeakPolarHBondContact O-CD2 3Å; R483-F485 WeakPolarHBondContact O-CE2 3.31Å | ||
| 484 | Q | 67.4 | Low | 64.7 | Low | 63 Ų | 63 | 68.9 Ų | 68.9 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.4 | 179.7 | -166.1 | -178.9 | 24.1 | 0 | 0 | 111 | N447 F476 Y477 I478 | N447-Q484 VanDerWaalsContact CB-O 3.28Å; N447-Q484 WeakPolarHBondContact CB-O 3.13Å; N447-Q484 VanDerWaalsContact CG-O 3.26Å; N447-Q484 PolarHBondContact ND2-OE1 3.49Å; F476-Q484 HydrophobicContact CB-CG 4.14Å; F476-Q484 HydrophobicContact CD1-CG 4.13Å; Y477-Q484 CarbonylContact O-C 3.59Å; Y477-Q484 VanDerWaalsContact O-CA 3.23Å; Y477-Q484 WeakPolarHBondContact O-CA 3.4Å; I478-Q484 HydrophobicContact CG1-CB 4.33Å; I478-Q484 HydrophobicContact CG1-CG 4.12Å |
| 485 | F | 68.4 | Low | 63.7 | Low | 3 Ų | 3 | 77.4 Ų | 77.4 | 1% | 0.013 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.6 | 177.9 | -63 | -94.8 | 0 | 0 | 0 | 109.8 | P448 V450 F476 Y477 D479 R483 V487 L689 T693 | P448-F485 HydrophobicContact CB-CD1 4.2Å; P448-F485 HydrophobicContact CB-CE1 4.29Å; P448-F485 HydrophobicContact CG-CD1 3.5Å; P448-F485 VanDerWaalsContact CG-CD1 3.5Å; P448-F485 HydrophobicContact CG-CE1 3.47Å; P448-F485 VanDerWaalsContact CG-CE1 3.47Å; P448-F485 HydrophobicContact CG-CG 4.35Å; P448-F485 HydrophobicContact CG-CZ 4.3Å; V450-F485 HydrophobicContact CG2-CB 4.28Å; V450-F485 HydrophobicContact CG2-CD1 3.75Å; V450-F485 HydrophobicContact CG2-CG 4.42Å; F476-F485 CarbonylContact C-O 3.52Å; F476-F485 VanDerWaalsContact CA-O 3.28Å; F476-F485 WeakPolarHBondContact CA-O 3.24Å; Y477-F485 HydrophobicContact CD1-CD2 4.28Å; Y477-F485 PolarHBondContact N-O 2.9Å; Y477-F485 PolarHBondContact O-N 3.46Å; D479-F485 HydrophobicContact CB-CD2 4.5Å; D479-F485 HydrophobicContact CB-CE2 3.86Å; R483-F485 HydrophobicContact CB-CE2 3.68Å; R483-F485 HydrophobicContact CB-CZ 4.04Å; R483-F485 VanDerWaalsContact O-CD2 3.3Å; R483-F485 WeakPolarHBondContact O-CD2 3Å; R483-F485 WeakPolarHBondContact O-CE2 3.31Å; F485-V487 HydrophobicContact CB-CG2 4.32Å; F485-L689 HydrophobicContact CB-CD2 4.34Å; F485-L689 HydrophobicContact CD1-CD2 4.36Å; F485-L689 HydrophobicContact CG-CD2 4.23Å; F485-T693 HydrophobicContact CE1-CG2 3.76Å; F485-T693 HydrophobicContact CE2-CG2 4.37Å; F485-T693 HydrophobicContact CZ-CG2 3.34Å |
| 486 | R | 70.2 | Confident | 62.2 | Low | 120 Ų | 120 | 74.9 Ų | 74.9 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.6 | 167.7 | -175.5 | 164.9 | -172.1 | -166.6 | 6 | 108.6 | P448 F449 V450 E475 | P448-R486 PolarHBondContact O-N 2.95Å; F449-R486 CarbonylContact C-O 3.57Å; F449-R486 HydrophobicContact CD2-CB 3.8Å; F449-R486 HydrophobicContact CD2-CG 3.64Å; F449-R486 HydrophobicContact CE2-CB 4.25Å; F449-R486 HydrophobicContact CE2-CG 3.56Å; V450-R486 PolarHBondContact N-O 2.85Å; E475-R486 WeakPolarHBondContact O-CA 3.26Å; E475-R486 WeakPolarHBondContact O-CG 3.4Å |
| 487 | V | 73.8 | Confident | 60.4 | Low | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.1 | -174.9 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V450 I452 L474 F485 L689 | V450-V487 CarbonylContact O-C 3.59Å; V450-V487 WeakPolarHBondContact O-CA 3.34Å; I452-V487 HydrophobicContact CD1-CG1 3.61Å; I452-V487 HydrophobicContact CG1-CG1 4.11Å; L474-V487 HydrophobicContact CB-CB 3.97Å; L474-V487 HydrophobicContact CD1-CB 4.33Å; L474-V487 HydrophobicContact CD1-CG1 4.23Å; F485-V487 HydrophobicContact CB-CG2 4.32Å; V487-L689 HydrophobicContact CG2-CD2 4.25Å |
| 488 | T | 76.1 | Confident | 58.5 | Low | 47 Ų | 47 | 83.1 Ų | 83.1 | 29% | 0.288 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.3 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | F449 V450 K451 I452 L490 | F449-T488 WeakPolarHBondContact CZ-OG1 3.43Å; V450-T488 PolarHBondContact O-N 2.78Å; K451-T488 CarbonylContact C-O 3.45Å; K451-T488 WeakPolarHBondContact CA-O 3.25Å; I452-T488 PolarHBondContact N-O 3.33Å; T488-L490 HydrophobicContact CG2-CD2 3.94Å; T488-L490 HydrophobicContact CG2-CG 4.14Å |
| 489 | V | 78.1 | Confident | 56.4 | Low | 12 Ų | 12 | 82.8 Ų | 82.8 | 7% | 0.073 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.8 | -177.7 | -173.6 | 0 | 0 | 0 | 0 | 110 | I452 V454 A465 I468 R469 | I452-V489 HydrophobicContact CB-CG2 4.4Å; I452-V489 HydrophobicContact CD1-CG2 4.49Å; I452-V489 WeakPolarHBondContact O-CA 3.4Å; V454-V489 HydrophobicContact CG2-CG1 3.77Å; A465-V489 HydrophobicContact CB-CG1 4.01Å; I468-V489 HydrophobicContact CB-CG1 4.26Å; I468-V489 HydrophobicContact CB-CG2 4.47Å; I468-V489 HydrophobicContact CG2-CG1 4.29Å; I468-V489 HydrophobicContact CG2-CG2 3.71Å; R469-V489 HydrophobicContact CG-CB 3.92Å; R469-V489 PolarHBondContact NH1-O 2.87Å |
| 490 | L | 78.5 | Confident | 54.5 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.6 | -175.5 | -60.2 | 172.3 | 0 | 0 | 0 | 109.5 | I452 Y453 V454 T488 | I452-L490 PolarHBondContact O-N 3.09Å; Y453-L490 CarbonylContact C-O 3.53Å; Y453-L490 WeakPolarHBondContact CA-O 3.48Å; Y453-L490 HydrophobicContact CD1-CB 3.98Å; Y453-L490 HydrophobicContact CD1-CD1 4.06Å; Y453-L490 HydrophobicContact CE1-CB 4.19Å; Y453-L490 HydrophobicContact CE1-CD1 3.44Å; Y453-L490 VanDerWaalsContact CE1-CD1 3.44Å; Y453-L490 HydrophobicContact CE1-CG 4.45Å; V454-L490 PolarHBondContact N-O 3.01Å; T488-L490 HydrophobicContact CG2-CD2 3.94Å; T488-L490 HydrophobicContact CG2-CG 4.14Å |
| 491 | S | 79.7 | Confident | 52.9 | Low | 35 Ų | 35 | 89.4 Ų | 89.4 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 156 | 172.7 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | S493 | S491-S493 PolarHBondContact O-N 2.75Å |
| 492 | N | 65.9 | Low | 50.9 | Low | 26 Ų | 26 | 88.9 Ų | 88.9 | 14% | 0.139 | 50% | 0.499 | C | S | . | . | trans | -52.6 | 99.1 | 169.6 | -93.1 | -5.2 | 0 | 0 | 0 | 112.7 | V454 R455 G456 | V454-N492 PolarHBondContact O-N 2.98Å; R455-N492 WeakPolarHBondContact CA-ND2 3.16Å; R455-N492 WeakPolarHBondContact CD-OD1 3.49Å; R455-N492 VanDerWaalsContact CG-OD1 3.3Å; R455-N492 WeakPolarHBondContact CG-OD1 3.22Å; R455-N492 PolarHBondContact NE-OD1 2.72Å; G456-N492 PolarHBondContact N-ND2 2.93Å; G456-N492 VanDerWaalsContact N-ND2 3.15Å; G456-N492 PolarHBondContact O-ND2 3.33Å | ||
| 493 | S | 44.5 | Very low | 49 | Very low | 79 Ų | 79 | 94.4 Ų | 94.4 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | trans | -119.7 | 93.4 | 150.9 | 67 | 0 | 0 | 0 | 0 | 108.5 | S491 K495 | S491-S493 PolarHBondContact O-N 2.75Å; S493-K495 PolarHBondContact O-N 2.96Å | ||
| 494 | P | 37.7 | Very low | 46.7 | Very low | 112 Ų | 112 | 94.2 Ų | 94.2 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 13 | -174.1 | 28 | -31.7 | 0 | 0 | 0 | 114.3 | ||
| 495 | K | 32.1 | Very low | 44.5 | Very low | 202 Ų | 202 | 99 Ų | 99 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.5 | 14 | -169.4 | -72.2 | -167 | 177.3 | -179 | 0 | 118.3 | S493 | S493-K495 PolarHBondContact O-N 2.96Š|
| 496 | S | 27.1 | Very low | 42.2 | Very low | 81 Ų | 81 | 106 Ų | 106 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | trans | -145.7 | 81.9 | 169.8 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | P498 | S496-P498 WeakPolarHBondContact O-CD 3.47Š| ||
| 497 | L | 24.5 | Very low | 39.9 | Very low | 177 Ų | 177 | 105.1 Ų | 105.1 | 93% | 0.927 | 60% | 0.6 | S | S | * | * | trans | -99.1 | 78.9 | 151.4 | -160.4 | 83 | 0 | 0 | 0 | 106 | S499 | L497-S499 PolarHBondContact O-N 2.78Š| ||
| 498 | P | 23.6 | Very low | 37.4 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | -68.5 | 117.9 | 162.8 | 15.8 | -2.6 | 0 | 0 | 0 | 105.9 | S496 Q500 | S496-P498 WeakPolarHBondContact O-CD 3.47Å; P498-Q500 PolarHBondContact O-N 2.8Å | ||
| 499 | S | 24.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -23.2 | 125.5 | 156.2 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | L497 | L497-S499 PolarHBondContact O-N 2.78Š|
| 500 | Q | 23 | Very low | 32.2 | Very low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | trans | 39.8 | 86.6 | 150.7 | -72.2 | 179.8 | -20.1 | 0 | 0 | 116.3 | P498 | P498-Q500 PolarHBondContact O-N 2.8Š| ||
| 501 | T | 22.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -129.3 | 118.2 | 141.9 | 37.1 | 0 | 0 | 0 | 0 | 108.2 | I503 | T501-I503 PolarHBondContact O-N 2.94Š| ||
| 502 | S | 21.5 | Very low | 26.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -42.8 | 136.4 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | L504 | S502-L504 PolarHBondContact O-N 3.37Š| ||
| 503 | I | 20.8 | Very low | 24.8 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -61.1 | 81.5 | 172.1 | -58.4 | 164.2 | 0 | 0 | 0 | 107.6 | T501 | T501-I503 PolarHBondContact O-N 2.94Š| ||
| 504 | L | 21.4 | Very low | 23.8 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 116.6 | 152.1 | -85.1 | 163.6 | 0 | 0 | 0 | 104.6 | S502 N506 | S502-L504 PolarHBondContact O-N 3.37Å; L504-N506 PolarHBondContact O-N 3.33Å | ||
| 505 | L | 21.6 | Very low | 23.3 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -43.3 | 94.8 | 162.7 | -84 | 130.3 | 0 | 0 | 0 | 108.3 | S507 | L505-S507 PolarHBondContact O-N 2.64Š| ||
| 506 | N | 20.4 | Very low | 22.9 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -68.4 | 99.6 | 164.4 | -89.2 | -20.1 | 0 | 0 | 0 | 105.2 | L504 L508 | L504-N506 PolarHBondContact O-N 3.33Å; N506-L508 PolarHBondContact O-N 3.44Å; N506-L508 VanDerWaalsContact O-N 3.14Å | ||
| 507 | S | 21.9 | Very low | 22.7 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -21.7 | 113.4 | 154 | 36.8 | 0 | 0 | 0 | 0 | 110.5 | L505 | L505-S507 PolarHBondContact O-N 2.64Š| ||
| 508 | L | 21.4 | Very low | 22.7 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -41.4 | 126.4 | 160.8 | -80.2 | 152 | 0 | 0 | 0 | 108.1 | N506 F510 | N506-L508 PolarHBondContact O-N 3.44Å; N506-L508 VanDerWaalsContact O-N 3.14Å; L508-F510 PolarHBondContact O-N 2.9Å | ||
| 509 | P | 21.8 | Very low | 22.8 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -62.2 | 118.6 | 174.5 | 25.7 | -29.8 | 0 | 0 | 0 | 106.3 | Y511 | P509-Y511 PolarHBondContact O-N 2.71Š| ||
| 510 | F | 22.5 | Very low | 22.9 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -43.1 | 109.6 | 168.5 | -87.1 | -93.2 | 0 | 0 | 0 | 108.2 | L508 S512 | L508-F510 PolarHBondContact O-N 2.9Å; F510-S512 PolarHBondContact O-N 3.22Å | ||
| 511 | Y | 21.6 | Very low | 22.9 | Very low | 228 Ų | 228 | 148.6 Ų | 148.6 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -58.8 | 100 | 158.4 | -111.9 | -92.5 | 0 | 0 | 0 | 104.9 | P509 D513 | P509-Y511 PolarHBondContact O-N 2.71Å; Y511-D513 PolarHBondContact O-N 3.05Å | ||
| 512 | S | 23.2 | Very low | 23.1 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -63.4 | 115.4 | 173.2 | 3 | 0 | 0 | 0 | 0 | 105.3 | F510 | F510-S512 PolarHBondContact O-N 3.22Š| ||
| 513 | D | 22.6 | Very low | 23.1 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -48.8 | 130.1 | 169.8 | -87 | -41.3 | 0 | 0 | 0 | 108.6 | Y511 | Y511-D513 PolarHBondContact O-N 3.05Š| ||
| 514 | P | 24.5 | Very low | 23.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -58.2 | 136.4 | -178 | 23.3 | -31.4 | 0 | 0 | 0 | 108.9 | N516 | P514-N516 PolarHBondContact O-N 3.17Š| ||
| 515 | P | 26.4 | Very low | 23.4 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 108.1 | -170.3 | 24.7 | -32.6 | 0 | 0 | 0 | 109.4 | R517 | P515-R517 VanDerWaalsContact C-N 3.27Å; P515-R517 PolarHBondContact O-N 2.93Å | ||
| 516 | N | 24.9 | Very low | 23.5 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -57.7 | 95.7 | 164.7 | -97.3 | -33.6 | 0 | 0 | 0 | 107.8 | P514 R518 | P514-N516 PolarHBondContact O-N 3.17Å; N516-R518 PolarHBondContact O-N 3.44Å | ||
| 517 | R | 22.8 | Very low | 23.7 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -57.6 | 90 | 163.1 | -77.7 | -176.4 | 175.9 | 178.7 | -0.6 | 107.7 | P515 P519 | P515-R517 VanDerWaalsContact C-N 3.27Å; P515-R517 PolarHBondContact O-N 2.93Å; R517-P519 VanDerWaalsContact O-CD 3.3Å; R517-P519 WeakPolarHBondContact O-CD 3.05Å | ||
| 518 | R | 23.6 | Very low | 23.8 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -68.6 | 115.1 | 157.2 | -78.2 | -176.4 | 175.4 | 166 | -0.5 | 106.9 | N516 N520 | N516-R518 PolarHBondContact O-N 3.44Å; R518-N520 PolarHBondContact O-N 3.36Å | ||
| 519 | P | 26.2 | Very low | 24 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 120 | 170.3 | 29.1 | -28 | 0 | 0 | 0 | 108.1 | R517 | R517-P519 VanDerWaalsContact O-CD 3.3Å; R517-P519 WeakPolarHBondContact O-CD 3.05Å | ||
| 520 | N | 26.6 | Very low | 24.2 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 34.1 | 86.8 | 155 | -60.7 | -10.5 | 0 | 0 | 0 | 116.2 | R518 L522 | R518-N520 PolarHBondContact O-N 3.36Å; N520-L522 PolarHBondContact O-N 3.22Å | ||
| 521 | G | 23.8 | Very low | 24.3 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -66 | 88.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T523 | G521-T523 PolarHBondContact O-N 3.11Š| ||
| 522 | L | 25.5 | Very low | 24.4 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 107.4 | 156 | -81.5 | 167 | 0 | 0 | 0 | 106.7 | N520 I524 | N520-L522 PolarHBondContact O-N 3.22Å; L522-I524 PolarHBondContact O-N 3.1Å | ||
| 523 | T | 22.8 | Very low | 24.4 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -47.3 | 102.7 | 166.9 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | G521 | G521-T523 PolarHBondContact O-N 3.11Š| ||
| 524 | I | 25 | Very low | 24.6 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -104.5 | 102.7 | 157.1 | -60.1 | 177.9 | 0 | 0 | 0 | 105 | L522 P526 | L522-I524 PolarHBondContact O-N 3.1Å; I524-P526 WeakPolarHBondContact O-CD 3.46Å | ||
| 525 | Q | 22.7 | Very low | 24.8 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 124.6 | 172.8 | -73.6 | -175 | -29.8 | 0 | 0 | 109 | V527 | Q525-V527 VanDerWaalsContact C-N 3.34Å; Q525-V527 PolarHBondContact O-N 3.32Å | ||
| 526 | P | 24.5 | Very low | 24.6 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -73.6 | 96.9 | 167.8 | 25.3 | -21.2 | 0 | 0 | 0 | 107.3 | I524 H528 | I524-P526 WeakPolarHBondContact O-CD 3.46Å; P526-H528 PolarHBondContact O-N 3.38Å | ||
| 527 | V | 24.4 | Very low | 24.5 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | -61.9 | 125.8 | 168.2 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | Q525 I529 | Q525-V527 VanDerWaalsContact C-N 3.34Å; Q525-V527 PolarHBondContact O-N 3.32Å; V527-I529 PolarHBondContact O-N 3.14Å; V527-I529 VanDerWaalsContact O-N 3.14Å | ||
| 528 | H | 23.2 | Very low | 24.7 | Very low | 179 Ų | 179 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -51.7 | 113.2 | 173.4 | -76.9 | -103.2 | 0 | 0 | 0 | 110.5 | P526 | P526-H528 PolarHBondContact O-N 3.38Š| ||
| 529 | I | 26.4 | Very low | 24.9 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -100.6 | 102.8 | 163 | -66 | 171.3 | 0 | 0 | 0 | 106.7 | V527 L531 | V527-I529 PolarHBondContact O-N 3.14Å; V527-I529 VanDerWaalsContact O-N 3.14Å; I529-L531 PolarHBondContact O-N 3.22Å | ||
| 530 | S | 25.2 | Very low | 24.8 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -61.7 | 107.6 | 170.6 | -27.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 531 | L | 24.3 | Very low | 24.8 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -86.3 | 111.2 | 161.7 | -78.9 | 170.4 | 0 | 0 | 0 | 108.4 | I529 | I529-L531 PolarHBondContact O-N 3.22Š| ||
| 532 | T | 23.5 | Very low | 25 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -78.8 | 143.7 | 174.9 | 30.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 533 | A | 23.5 | Very low | 25 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 26.2 | 108.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 534 | S | 27.3 | Very low | 24.9 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 168.6 | 2.7 | 135.9 | 47.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 535 | Q | 27.5 | Very low | 24.9 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -117.3 | 44.9 | 177.5 | -64.6 | -174.5 | -4.5 | 0 | 0 | 113.4 | ||||
| 536 | M | 22.3 | Very low | 25 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -111.4 | 93 | 155.7 | -70.2 | -169 | 80.1 | 0 | 0 | 108 | ||||
| 537 | S | 24 | Very low | 25 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -175 | 79.1 | 170.1 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 538 | A | 26.4 | Very low | 24.9 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -161.7 | 115.2 | 155 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 539 | F | 28.7 | Very low | 25.1 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | 73.9 | 79.9 | -176.4 | -54 | -76.9 | 0 | 0 | 0 | 113.8 | ||||
| 540 | S | 24 | Very low | 24.9 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 66.5 | 103.3 | 60.3 | -41.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 541 | A | 26.7 | Very low | 25 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -50.7 | 175 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 542 | P | 27.7 | Very low | 24.9 | Very low | 101 Ų | 101 | 129 Ų | 129 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | -156.2 | -166.1 | 35.8 | 38.4 | -12.5 | 0 | 0 | 0 | 116.2 | ||||
| 543 | N | 24.1 | Very low | 25 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 86.6 | 132 | 156.5 | -61.4 | -18 | 0 | 0 | 0 | 114.6 | ||||
| 544 | N | 22 | Very low | 25.1 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | cis | 170.5 | 153.4 | -10.2 | -119.1 | -18.7 | 0 | 0 | 0 | 100.2 | ||||
| 545 | S | 23.9 | Very low | 24.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 67.5 | 144.1 | 151.6 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 546 | L | 25.8 | Very low | 24.8 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -164.2 | 142.6 | 18.5 | -153.5 | 73.9 | 0 | 0 | 0 | 104 | ||||
| 547 | L | 24.3 | Very low | 25.1 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | 40.6 | 119.4 | 139.4 | -82 | 73.8 | 0 | 0 | 0 | 117.2 | ||||
| 548 | G | 22.1 | Very low | 25.1 | Very low | 64 Ų | 64 | 123.2 Ų | 123.2 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | cis | 120.5 | 160.2 | 42.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 549 | N | 26.8 | Very low | 25.1 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 83.8 | 95.2 | 172.2 | -56.5 | -9.6 | 0 | 0 | 0 | 114.4 | ||||
| 550 | N | 22.7 | Very low | 25.2 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | 53.1 | 99.1 | 61.7 | -61.9 | -23.6 | 0 | 0 | 0 | 114 | |||||
| 551 | F | 27.7 | Very low | 25.1 | Very low | 199 Ų | 199 | 127 Ų | 127 | 87% | 0.873 | 73% | 0.732 | S | S | * | * | trans | -149.3 | 101.9 | 130.5 | -85.3 | -78 | 0 | 0 | 0 | 104.2 | ||||
| 552 | S | 22 | Very low | 25.1 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | 58 | 139.6 | 69.2 | 80.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 553 | T | 24.6 | Very low | 24.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | 84.8 | 124.9 | 168.3 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 554 | T | 26.7 | Very low | 25 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | cis | -166.7 | 131.6 | 20 | 24.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 555 | A | 23.3 | Very low | 25.2 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | 53.2 | 99.5 | 84.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 556 | D | 26 | Very low | 25.2 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 148.4 | 155.6 | 98.1 | -77.4 | -26.8 | 0 | 0 | 0 | 103.3 | |||||
| 557 | D | 26.8 | Very low | 25.1 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -171.4 | 125.5 | 12.1 | -118 | -31.1 | 0 | 0 | 0 | 102.9 | ||||
| 558 | N | 24.3 | Very low | 25 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | 86.6 | 129.8 | 103.4 | -99.9 | -27.3 | 0 | 0 | 0 | 117.5 | |||||
| 559 | H | 26.8 | Very low | 25.1 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 106.2 | 147.4 | -58.6 | -47.9 | 0 | 0 | 0 | 119.9 | ||||
| 560 | N | 30 | Very low | 24.9 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | -164.1 | 104.2 | 100.6 | -90.8 | -34.1 | 0 | 0 | 0 | 112 | |||||
| 561 | N | 22.8 | Very low | 25.2 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | trans | -98.4 | 119 | 167 | -100.4 | -25.1 | 0 | 0 | 0 | 108.1 | ||||
| 562 | S | 25.9 | Very low | 25 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -171 | 109.7 | 149.4 | 56.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 563 | K | 24.2 | Very low | 25 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 89.1 | 131.9 | 83.9 | -83.9 | -179.5 | 179.9 | 178.1 | 0 | 112.4 | |||||
| 564 | N | 27.1 | Very low | 25 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 86.7 | 86.2 | 152.3 | -53.3 | -17.8 | 0 | 0 | 0 | 117.8 | ||||
| 565 | C | 25.7 | Very low | 24.8 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -137.9 | 95.6 | 142 | -84.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 566 | S | 22.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -93 | 138.3 | 166.1 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 567 | P | 24.3 | Very low | 24.4 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -95 | 130.4 | 179.4 | 35.2 | -28.6 | 0 | 0 | 0 | 111.1 | ||||
| 568 | V | 22.8 | Very low | 24 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 105.4 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 569 | V | 22.9 | Very low | 23.9 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | 71.2 | 118.4 | 108.3 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 570 | D | 23.4 | Very low | 23.6 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | 176 | 176.8 | 65.3 | -125.9 | -23.5 | 0 | 0 | 0 | 110.6 | |||||
| 571 | S | 28.1 | Very low | 23.3 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 89.3 | 100.1 | 161.4 | 75.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 572 | V | 25.3 | Very low | 23.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | 87.6 | 90.3 | 70.6 | 175.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 573 | Q | 21.2 | Very low | 23 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 5.1 | 150.4 | 128.8 | -155.7 | 161.2 | -19.8 | 0 | 0 | 120.4 | |||||
| 574 | E | 23.7 | Very low | 22.9 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 96.6 | 138.5 | 165.5 | -56.8 | -167.1 | 174.4 | 0 | 0 | 115.3 | ||||
| 575 | N | 22.7 | Very low | 22.6 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | cis | -174 | 170.7 | -10.4 | -97.4 | -34.8 | 0 | 0 | 0 | 104.4 | ||||
| 576 | L | 22 | Very low | 22.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | 98 | 92 | 155.1 | -53.6 | 177.1 | 0 | 0 | 0 | 119.3 | ||||
| 577 | T | 19.4 | Very low | 22.4 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | 52 | 110.1 | 120.1 | 48.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 578 | L | 19 | Very low | 22.5 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.9 | 162.5 | -68.6 | 155.2 | 0 | 0 | 0 | 112.2 | ||
| 579 | T | 20.9 | Very low | 22.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 141.9 | 166.2 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 580 | P | 21.3 | Very low | 22.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 130.7 | -172.8 | 33 | -31.9 | 0 | 0 | 0 | 112 | ||
| 581 | F | 24.6 | Very low | 22.4 | Very low | 204 Ų | 204 | 136.1 Ų | 136.1 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128.4 | 175.7 | -81.8 | -84.6 | 0 | 0 | 0 | 111.5 | ||
| 582 | S | 20.4 | Very low | 22.1 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 149.3 | 175.6 | -180 | 0 | 0 | 0 | 0 | 112 | ||
| 583 | V | 21.7 | Very low | 22 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 584 | D | 22.3 | Very low | 22 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -126.2 | 120.8 | 155.6 | -93.6 | -32.1 | 0 | 0 | 0 | 109.8 | ||||
| 585 | N | 19.9 | Very low | 21.9 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 114.6 | 176.7 | -75.1 | -45.6 | 0 | 0 | 0 | 109.4 | ||||
| 586 | S | 23.8 | Very low | 21.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -152.9 | 89.6 | 158.1 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | M | 20.3 | Very low | 21.9 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -77.5 | 136.7 | 158.1 | -103.9 | -91.5 | 171 | 0 | 0 | 109.1 | P589 | M587-P589 HydrophobicContact SD-CB 4.49Š| ||
| 588 | P | 26.4 | Very low | 22.1 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -125.3 | 130.1 | 132.1 | 30.5 | -19.3 | 0 | 0 | 0 | 110 | S590 | P588-S590 PolarHBondContact O-N 3.44Š| ||
| 589 | P | 22.7 | Very low | 22.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -85.7 | 110.5 | 179.7 | 33 | -27.8 | 0 | 0 | 0 | 108.8 | M587 | M587-P589 HydrophobicContact SD-CB 4.49Š| ||
| 590 | S | 22.5 | Very low | 22.6 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -125.7 | 134.9 | 171.9 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | P588 | P588-S590 PolarHBondContact O-N 3.44Š| ||
| 591 | S | 23 | Very low | 23.1 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 64.4 | 89.8 | 162.2 | 56 | 0 | 0 | 0 | 0 | 117.9 | Q593 | S591-Q593 PolarHBondContact O-N 3.48Š| ||
| 592 | S | 21 | Very low | 23.8 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | -8.8 | 95.2 | 126.9 | 54.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 593 | Q | 23.5 | Very low | 24.8 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -120 | 99.3 | 150 | -82.9 | -172.2 | -3.7 | 0 | 0 | 108.1 | S591 F595 | S591-Q593 PolarHBondContact O-N 3.48Å; Q593-F595 VanDerWaalsContact C-N 3.32Å; Q593-F595 PolarHBondContact O-N 3.27Å | ||
| 594 | S | 20.8 | Very low | 26.1 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -59.2 | 89.2 | 171 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | K596 | S594-K596 PolarHBondContact O-N 2.82Š| ||
| 595 | F | 20.9 | Very low | 27.7 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -70.1 | 101.5 | 160.5 | -86.7 | -82.3 | 0 | 0 | 0 | 107.6 | Q593 A597 | Q593-F595 VanDerWaalsContact C-N 3.32Å; Q593-F595 PolarHBondContact O-N 3.27Å; F595-A597 PolarHBondContact O-N 3.45Å | ||
| 596 | K | 21.1 | Very low | 29.9 | Very low | 171 Ų | 171 | 118.6 Ų | 118.6 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -59.2 | 80.5 | 169 | -70.4 | 177.1 | 175.6 | 176.7 | 0 | 109.2 | S594 N598 | S594-K596 PolarHBondContact O-N 2.82Å; K596-N598 PolarHBondContact O-N 3.18Å | ||
| 597 | A | 24.2 | Very low | 31.8 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | trans | -72.3 | 75 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | F595 | F595-A597 PolarHBondContact O-N 3.45Š| ||
| 598 | N | 22.9 | Very low | 34.1 | Very low | 109 Ų | 109 | 106.6 Ų | 106.6 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 135.3 | 166.2 | -68.1 | -26.7 | 0 | 0 | 0 | 107.7 | K596 | K596-N598 PolarHBondContact O-N 3.18Š|
| 599 | H | 25.2 | Very low | 35.9 | Very low | 179 Ų | 179 | 102.2 Ų | 102.2 | 83% | 0.829 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.3 | 8.4 | 164.3 | -53 | -71.1 | 0 | 0 | 0 | 121.2 | ||
| 600 | L | 27 | Very low | 38.1 | Very low | 154 Ų | 154 | 96.7 Ų | 96.7 | 81% | 0.806 | 54% | 0.54 | S | S | * | . | trans | -107.3 | 8.7 | 161.5 | -77.5 | 163.2 | 0 | 0 | 0 | 113.7 | T602 | L600-T602 PolarHBondContact O-N 3.3Š| ||
| 601 | N | 31.1 | Very low | 40 | Very low | 139 Ų | 139 | 91.9 Ų | 91.9 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 11.2 | -160.1 | -90.9 | -3.6 | 0 | 0 | 0 | 118.2 | ||
| 602 | T | 38.5 | Very low | 41.9 | Very low | 131 Ų | 131 | 87.4 Ų | 87.4 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.7 | 23.8 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | L600 T604 | L600-T602 PolarHBondContact O-N 3.3Å; T602-T604 PolarHBondContact O-N 3.38Å |
| 603 | S | 41.3 | Very low | 43.6 | Very low | 66 Ų | 66 | 82.2 Ų | 82.2 | 46% | 0.462 | 44% | 0.437 | S | S | . | . | trans | -65.8 | 104.3 | 165.2 | 55.9 | 0 | 0 | 0 | 0 | 107.2 | E605 | S603-E605 PolarHBondContact O-N 3.49Š| ||
| 604 | T | 48.9 | Very low | 45 | Very low | 53 Ų | 53 | 77.4 Ų | 77.4 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | trans | -58.7 | 111.5 | 177.9 | 31.3 | 0 | 0 | 0 | 0 | 108.1 | F449 T602 | F449-T604 PolarHBondContact N-O 2.88Å; T602-T604 PolarHBondContact O-N 3.38Å | ||
| 605 | E | 57.6 | Low | 46.5 | Very low | 76 Ų | 76 | 74.9 Ų | 74.9 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 103 | 177.5 | -72.5 | -160 | 151.7 | 0 | 0 | 108.7 | F449 K451 S603 Q636 | F449-E605 HydrophobicContact CB-CG 4.35Å; F449-E605 CarbonylContact O-C 3.46Å; F449-E605 VanDerWaalsContact O-CA 3.28Å; F449-E605 WeakPolarHBondContact O-CA 3.35Å; K451-E605 IonicContact NZ-OE1 2.92Å; K451-E605 PolarHBondContact NZ-OE1 3.11Å; K451-E605 IonicContact NZ-OE2 2.98Å; K451-E605 PolarHBondContact NZ-OE2 3.44Å; S603-E605 PolarHBondContact O-N 3.49Å; E605-Q636 PolarHBondContact O-OE1 2.9Å |
| 606 | Y | 64.8 | Low | 47.8 | Very low | 52 Ų | 52 | 68.9 Ų | 68.9 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.5 | 176.5 | -60.6 | -85.2 | 0 | 0 | 0 | 110 | P448 F449 V450 K451 T692 | P448-Y606 HydrophobicContact CB-CD2 4.01Å; P448-Y606 HydrophobicContact CB-CE2 3.64Å; F449-Y606 PolarHBondContact O-N 3.49Å; V450-Y606 CarbonylContact C-O 3.58Å; V450-Y606 VanDerWaalsContact CA-O 3.3Å; V450-Y606 WeakPolarHBondContact CA-O 3.34Å; V450-Y606 HydrophobicContact CG2-CD2 4.4Å; K451-Y606 PolarHBondContact N-O 2.8Å; Y606-T692 WeakPolarHBondContact CE1-O 3.08Å; Y606-T692 HydrophobicContact CG-CG2 4.36Å |
| 607 | C | 65.1 | Low | 49.5 | Very low | 33 Ų | 33 | 65.8 Ų | 65.8 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.2 | 175.7 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | K451 Y453 Y609 P638 I639 | K451-C607 WeakPolarHBondContact O-CA 3.27Å; Y453-C607 HydrophobicContact CD2-CB 4.47Å; Y453-C607 HydrophobicContact CE2-CB 4.18Å; C607-Y609 HydrophobicContact CB-CD2 4.48Å; C607-Y609 HydrophobicContact CB-CE2 3.9Å; C607-P638 HydrophobicContact CB-CB 4.37Å; C607-I639 PolarHBondContact O-N 3Å |
| 608 | V | 66.7 | Low | 51.1 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.4 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | V450 K451 I452 Y453 I639 V641 L688 T692 | V450-V608 HydrophobicContact CG1-CG2 4.24Å; K451-V608 PolarHBondContact O-N 3.21Å; I452-V608 CarbonylContact C-O 3.51Å; I452-V608 WeakPolarHBondContact CA-O 3.49Å; I452-V608 HydrophobicContact CG1-CB 4.42Å; Y453-V608 PolarHBondContact N-O 3.23Å; V608-I639 CarbonylContact C-O 3.49Å; V608-I639 WeakPolarHBondContact CA-O 3.36Å; V608-V641 HydrophobicContact CG1-CG2 3.95Å; V608-L688 HydrophobicContact CG1-CD2 4.18Å; V608-T692 HydrophobicContact CG2-CG2 3.45Å; V608-T692 VanDerWaalsContact CG2-CG2 3.45Å |
| 609 | Y | 65 | Low | 52.5 | Low | 13 Ų | 13 | 59 Ų | 59 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.2 | 176.9 | -73.1 | -108.6 | 0 | 0 | 0 | 108.9 | Y453 R455 C607 P638 I639 V641 | Y453-Y609 HydrophobicContact CD2-CD2 4.37Å; Y453-Y609 HydrophobicContact CD2-CE1 4.3Å; Y453-Y609 HydrophobicContact CD2-CE2 4Å; Y453-Y609 AromaticContact CD2-CZ 3.99Å; Y453-Y609 HydrophobicContact CE2-CE2 4.49Å; Y453-Y609 HydrophobicContact CG-CD1 4.4Å; Y453-Y609 HydrophobicContact CG-CE1 4.2Å; Y453-Y609 CarbonylContact O-C 3.49Å; Y453-Y609 WeakPolarHBondContact O-CA 3.5Å; R455-Y609 HydrophobicContact CG-CD1 4.33Å; C607-Y609 HydrophobicContact CB-CD2 4.48Å; C607-Y609 HydrophobicContact CB-CE2 3.9Å; Y609-P638 HydrophobicContact CD2-CB 3.55Å; Y609-P638 HydrophobicContact CE2-CB 3.29Å; Y609-P638 HydrophobicContact CE2-CG 4.24Å; Y609-I639 PolarHBondContact N-O 2.61Å; Y609-V641 PolarHBondContact O-N 2.95Å |
| 610 | L | 68.1 | Low | 53.9 | Low | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 102.2 | 177.6 | -171.8 | 71.7 | 0 | 0 | 0 | 109.3 | I452 Y453 V454 R455 I468 I612 V641 A643 F684 | I452-L610 HydrophobicContact CG2-CB 4.44Å; Y453-L610 PolarHBondContact O-N 2.87Å; V454-L610 WeakPolarHBondContact CA-O 3.26Å; V454-L610 HydrophobicContact CG2-CD2 4.36Å; R455-L610 PolarHBondContact N-O 3.38Å; I468-L610 HydrophobicContact CD1-CD2 4.23Å; L610-I612 HydrophobicContact CD2-CD1 3.93Å; L610-I612 HydrophobicContact CD2-CG1 4.21Å; L610-I612 HydrophobicContact CG-CD1 4.34Å; L610-I612 HydrophobicContact CG-CG1 4.06Å; L610-V641 CarbonylContact C-O 3.59Å; L610-V641 WeakPolarHBondContact CA-O 3.42Å; L610-V641 HydrophobicContact CD1-CB 4.24Å; L610-V641 HydrophobicContact CD1-CG1 3.96Å; L610-A643 HydrophobicContact CD1-CB 3.81Å; L610-A643 HydrophobicContact CG-CB 4.43Å; L610-F684 HydrophobicContact CD2-CZ 4.45Å |
| 611 | F | 62.7 | Low | 55.5 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115 | 176.8 | -70 | -90 | 0 | 0 | 0 | 110.6 | R455 C622 L625 I626 K640 V641 L642 A643 | R455-F611 HydrophobicContact CB-CD1 3.73Å; R455-F611 HydrophobicContact CB-CE1 3.82Å; R455-F611 HydrophobicContact CB-CG 4.34Å; R455-F611 HydrophobicContact CB-CZ 4.5Å; R455-F611 HydrophobicContact CG-CE1 4.37Å; R455-F611 CarbonylContact O-C 3.5Å; R455-F611 WeakPolarHBondContact O-CA 3.35Å; F611-C622 HydrophobicContact CB-CB 4.28Å; F611-C622 HydrophobicContact CD1-CB 4.02Å; F611-L625 HydrophobicContact CE1-CB 4.1Å; F611-I626 HydrophobicContact CD1-CD1 4.44Å; F611-I626 HydrophobicContact CD1-CG1 4.26Å; F611-I626 HydrophobicContact CD2-CD1 4.08Å; F611-I626 HydrophobicContact CD2-CG1 4.16Å; F611-I626 HydrophobicContact CE1-CG1 3.87Å; F611-I626 HydrophobicContact CE2-CD1 4.18Å; F611-I626 HydrophobicContact CE2-CG1 3.76Å; F611-I626 HydrophobicContact CG-CD1 4.22Å; F611-I626 HydrophobicContact CG-CG1 4.39Å; F611-I626 HydrophobicContact CZ-CD1 4.4Å; F611-I626 HydrophobicContact CZ-CG1 3.6Å; F611-K640 HydrophobicContact CE2-CB 4.24Å; F611-K640 HydrophobicContact CE2-CD 4.36Å; F611-K640 HydrophobicContact CE2-CG 4.21Å; F611-V641 PolarHBondContact N-O 2.9Å; F611-L642 HydrophobicContact CB-CD2 3.94Å; F611-L642 HydrophobicContact CB-CG 4.27Å; F611-A643 PolarHBondContact O-N 3.35Å |
| 612 | I | 64.3 | Low | 56.7 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | -175.1 | -62.6 | -170.7 | 0 | 0 | 0 | 109.7 | V454 R455 G456 T460 V464 L610 A643 I645 | V454-I612 HydrophobicContact CG1-CD1 3.36Å; V454-I612 HydrophobicContact CG1-CG1 4.06Å; R455-I612 PolarHBondContact O-N 2.83Å; G456-I612 WeakPolarHBondContact CA-O 3.39Å; T460-I612 HydrophobicContact CG2-CG2 3.82Å; V464-I612 HydrophobicContact CB-CD1 3.61Å; V464-I612 HydrophobicContact CG1-CD1 3.29Å; V464-I612 HydrophobicContact CG2-CD1 3.82Å; V464-I612 HydrophobicContact CG2-CG2 4.46Å; L610-I612 HydrophobicContact CD2-CD1 3.93Å; L610-I612 HydrophobicContact CD2-CG1 4.21Å; L610-I612 HydrophobicContact CG-CD1 4.34Å; L610-I612 HydrophobicContact CG-CG1 4.06Å; I612-A643 WeakPolarHBondContact CA-O 3.4Å; I612-I645 HydrophobicContact CB-CD1 4.49Å; I612-I645 HydrophobicContact CD1-CD1 4.08Å; I612-I645 HydrophobicContact CG2-CB 4.17Å; I612-I645 HydrophobicContact CG2-CD1 3.26Å; I612-I645 HydrophobicContact CG2-CG1 3.64Å |
| 613 | Y | 55.2 | Low | 57.4 | Low | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.1 | 179.7 | 56.3 | -78.5 | 0 | 0 | 0 | 111.3 | L619 L642 A643 Y644 I645 | Y613-L619 HydrophobicContact CD1-CD1 3.91Å; Y613-L619 HydrophobicContact CD2-CB 3.53Å; Y613-L619 HydrophobicContact CD2-CD1 3.98Å; Y613-L619 HydrophobicContact CD2-CD2 4.36Å; Y613-L619 HydrophobicContact CD2-CG 4.15Å; Y613-L619 HydrophobicContact CE1-CD1 3.76Å; Y613-L619 HydrophobicContact CE2-CB 3.96Å; Y613-L619 HydrophobicContact CE2-CD1 3.8Å; Y613-L619 HydrophobicContact CE2-CD2 3.92Å; Y613-L619 HydrophobicContact CE2-CG 4.1Å; Y613-L619 HydrophobicContact CG-CB 3.92Å; Y613-L619 HydrophobicContact CG-CD1 4.05Å; Y613-L642 HydrophobicContact CE1-CD2 4.39Å; Y613-A643 WeakPolarHBondContact CD1-O 3.4Å; Y613-A643 WeakPolarHBondContact CE1-O 3.45Å; Y613-A643 PolarHBondContact N-O 3.46Å; Y613-Y644 AromaticContact CD2-CD2 3.29Å; Y613-Y644 HydrophobicContact CD2-CD2 3.29Å; Y613-Y644 AromaticContact CD2-CE2 3.85Å; Y613-Y644 HydrophobicContact CD2-CE2 3.85Å; Y613-Y644 HydrophobicContact CD2-CG 4.35Å; Y613-Y644 AromaticContact CE2-CD2 3.09Å; Y613-Y644 HydrophobicContact CE2-CD2 3.09Å; Y613-Y644 AromaticContact CE2-CE2 3.85Å; Y613-Y644 HydrophobicContact CE2-CE2 3.85Å; Y613-Y644 AromaticContact CE2-CG 3.82Å; Y613-Y644 HydrophobicContact CE2-CG 3.82Å; Y613-Y644 HydrophobicContact CG-CD2 4.17Å; Y613-Y644 AromaticContact CZ-CD2 3.83Å; Y613-Y644 VanDerWaalsContact O-CD2 3.26Å; Y613-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y613-I645 PolarHBondContact O-N 2.94Å |
| 614 | K | 53.6 | Low | 58.3 | Low | 56 Ų | 56 | 44.5 Ų | 44.5 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -96.7 | -19.9 | 179 | 85.6 | -162.4 | 177.2 | -155.7 | 0 | 115.6 | E618 I645 | K614-E618 WeakPolarHBondContact CD-OE1 3.41Å; K614-E618 WeakPolarHBondContact CE-OE1 3.39Å; K614-E618 WeakPolarHBondContact CG-OE1 3.34Å; K614-E618 WeakPolarHBondContact CG-OE2 3.26Å; K614-E618 PolarHBondContact N-OE2 2.87Å; K614-E618 IonicContact NZ-OE1 2.77Å; K614-E618 PolarHBondContact NZ-OE1 3.07Å; K614-I645 WeakPolarHBondContact CA-O 3.45Å |
| 615 | N | 51.6 | Low | 58.7 | Low | 53 Ų | 53 | 45.1 Ų | 45.1 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -151.6 | 170.4 | -178 | 59.4 | 50.5 | 0 | 0 | 0 | 109.5 | N617 E618 L619 | N615-N617 PolarHBondContact O-N 3.15Å; N615-N617 WeakPolarHBondContact OD1-CB 3.22Å; N615-N617 PolarHBondContact OD1-N 3.18Å; N615-N617 VanDerWaalsContact OD1-N 3.12Å; N615-E618 PolarHBondContact O-N 2.68Å; N615-E618 VanDerWaalsContact O-N 3.13Å; N615-E618 PolarHBondContact OD1-N 3.17Å; N615-L619 PolarHBondContact O-N 2.69Å |
| 616 | I | 48.7 | Very low | 58.5 | Low | 60 Ų | 60 | 42.4 Ų | 42.4 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -31.8 | -177.5 | -154.1 | 151.8 | 0 | 0 | 0 | 112.8 | E618 L619 L620 L733 | I616-E618 PolarHBondContact O-N 2.83Å; I616-L619 WeakPolarHBondContact O-CB 3.08Å; I616-L619 PolarHBondContact O-N 2.99Å; I616-L620 VanDerWaalsContact O-CG 3.29Å; I616-L620 WeakPolarHBondContact O-CG 3.45Å; I616-L620 PolarHBondContact O-N 2.66Å; I616-L733 HydrophobicContact CD1-CD2 4.17Å |
| 617 | N | 58 | Low | 57.9 | Low | 106 Ų | 106 | 46.7 Ų | 46.7 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.8 | -38.2 | 176.5 | -69.1 | -13.1 | 0 | 0 | 0 | 111.8 | N615 L620 N621 | N615-N617 PolarHBondContact O-N 3.15Å; N615-N617 WeakPolarHBondContact OD1-CB 3.22Å; N615-N617 PolarHBondContact OD1-N 3.18Å; N615-N617 VanDerWaalsContact OD1-N 3.12Å; N617-L620 PolarHBondContact O-N 2.92Å; N617-N621 PolarHBondContact O-N 2.92Å |
| 618 | E | 56.6 | Low | 57.2 | Low | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 172.8 | -76.4 | -175 | -169.5 | 0 | 0 | 112 | Q457 K614 N615 I616 N621 C622 | Q457-E618 PolarHBondContact OE1-OE1 3.5Å; K614-E618 WeakPolarHBondContact CD-OE1 3.41Å; K614-E618 WeakPolarHBondContact CE-OE1 3.39Å; K614-E618 WeakPolarHBondContact CG-OE1 3.34Å; K614-E618 WeakPolarHBondContact CG-OE2 3.26Å; K614-E618 PolarHBondContact N-OE2 2.87Å; K614-E618 IonicContact NZ-OE1 2.77Å; K614-E618 PolarHBondContact NZ-OE1 3.07Å; N615-E618 PolarHBondContact O-N 2.68Å; N615-E618 VanDerWaalsContact O-N 3.13Å; N615-E618 PolarHBondContact OD1-N 3.17Å; I616-E618 PolarHBondContact O-N 2.83Å; E618-N621 PolarHBondContact O-N 3.47Å; E618-C622 WeakPolarHBondContact O-CB 2.96Å; E618-C622 PolarHBondContact O-N 3Å; E618-C622 PolarHBondContact O-SG 3.18Å |
| 619 | L | 53.5 | Low | 56.2 | Low | 37 Ų | 37 | 53.7 Ų | 53.7 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 172.1 | 179.6 | 57.5 | 0 | 0 | 0 | 111 | Y613 N615 I616 N621 C622 Y623 L642 | Y613-L619 HydrophobicContact CD1-CD1 3.91Å; Y613-L619 HydrophobicContact CD2-CB 3.53Å; Y613-L619 HydrophobicContact CD2-CD1 3.98Å; Y613-L619 HydrophobicContact CD2-CD2 4.36Å; Y613-L619 HydrophobicContact CD2-CG 4.15Å; Y613-L619 HydrophobicContact CE1-CD1 3.76Å; Y613-L619 HydrophobicContact CE2-CB 3.96Å; Y613-L619 HydrophobicContact CE2-CD1 3.8Å; Y613-L619 HydrophobicContact CE2-CD2 3.92Å; Y613-L619 HydrophobicContact CE2-CG 4.1Å; Y613-L619 HydrophobicContact CG-CB 3.92Å; Y613-L619 HydrophobicContact CG-CD1 4.05Å; N615-L619 PolarHBondContact O-N 2.69Å; I616-L619 WeakPolarHBondContact O-CB 3.08Å; I616-L619 PolarHBondContact O-N 2.99Å; L619-N621 PolarHBondContact O-N 3.45Å; L619-C622 WeakPolarHBondContact O-CB 3.2Å; L619-C622 PolarHBondContact O-N 2.77Å; L619-Y623 HydrophobicContact CD1-CD2 4.05Å; L619-Y623 HydrophobicContact CD1-CE2 4.27Å; L619-Y623 HydrophobicContact CG-CD2 4.29Å; L619-Y623 PolarHBondContact O-N 2.78Å; L619-L642 HydrophobicContact CD1-CD2 4.06Å |
| 620 | L | 53.5 | Low | 55.2 | Low | 91 Ų | 91 | 57.5 Ų | 57.5 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.2 | -69.3 | 172.2 | 0 | 0 | 0 | 111.1 | I616 N617 C622 Y623 E624 | I616-L620 VanDerWaalsContact O-CG 3.29Å; I616-L620 WeakPolarHBondContact O-CG 3.45Å; I616-L620 PolarHBondContact O-N 2.66Å; N617-L620 PolarHBondContact O-N 2.92Å; L620-C622 VanDerWaalsContact C-N 3.33Å; L620-C622 PolarHBondContact O-N 2.97Å; L620-Y623 WeakPolarHBondContact O-CB 3.29Å; L620-Y623 PolarHBondContact O-N 2.85Å; L620-E624 PolarHBondContact O-N 3.1Å |
| 621 | N | 61.7 | Low | 54 | Low | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 174.7 | -77.5 | -22 | 0 | 0 | 0 | 112.7 | N617 E618 L619 E624 L625 | N617-N621 PolarHBondContact O-N 2.92Å; E618-N621 PolarHBondContact O-N 3.47Å; L619-N621 PolarHBondContact O-N 3.45Å; N621-E624 PolarHBondContact O-N 3.41Å; N621-L625 WeakPolarHBondContact O-CG 3.1Å; N621-L625 PolarHBondContact O-N 3.38Å |
| 622 | C | 55.5 | Low | 53 | Low | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | F611 E618 L619 L620 L625 I626 | F611-C622 HydrophobicContact CB-CB 4.28Å; F611-C622 HydrophobicContact CD1-CB 4.02Å; E618-C622 WeakPolarHBondContact O-CB 2.96Å; E618-C622 PolarHBondContact O-N 3Å; E618-C622 PolarHBondContact O-SG 3.18Å; L619-C622 WeakPolarHBondContact O-CB 3.2Å; L619-C622 PolarHBondContact O-N 2.77Å; L620-C622 VanDerWaalsContact C-N 3.33Å; L620-C622 PolarHBondContact O-N 2.97Å; C622-L625 WeakPolarHBondContact O-CB 3.39Å; C622-L625 PolarHBondContact O-N 3.32Å; C622-I626 WeakPolarHBondContact O-CG1 3.45Å; C622-I626 PolarHBondContact O-N 3.19Å |
| 623 | Y | 53.3 | Low | 51.9 | Low | 84 Ų | 84 | 71.4 Ų | 71.4 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173.9 | -109.6 | -82.4 | 0 | 0 | 0 | 111.9 | L619 L620 I626 K627 | L619-Y623 HydrophobicContact CD1-CD2 4.05Å; L619-Y623 HydrophobicContact CD1-CE2 4.27Å; L619-Y623 HydrophobicContact CG-CD2 4.29Å; L619-Y623 PolarHBondContact O-N 2.78Å; L620-Y623 WeakPolarHBondContact O-CB 3.29Å; L620-Y623 PolarHBondContact O-N 2.85Å; Y623-I626 PolarHBondContact O-N 3.3Å; Y623-K627 WeakPolarHBondContact O-CG 3.31Å; Y623-K627 PolarHBondContact O-N 2.98Å |
| 624 | E | 59.1 | Low | 51.2 | Low | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 174.7 | -69.6 | -55 | 134.7 | 0 | 0 | 111.7 | L620 N621 I626 K627 H628 | L620-E624 PolarHBondContact O-N 3.1Å; N621-E624 PolarHBondContact O-N 3.41Å; E624-I626 VanDerWaalsContact C-N 3.34Å; E624-I626 PolarHBondContact O-N 3.27Å; E624-K627 PolarHBondContact O-N 2.79Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 3.21Å; E624-H628 WeakPolarHBondContact O-CB 3.37Å; E624-H628 PolarHBondContact O-CD2 3.14Å; E624-H628 PolarHBondContact O-N 2.86Å; E624-H628 IonicContact OE2-CD2 2.97Å; E624-H628 IonicContact OE2-NE2 3.09Å |
| 625 | L | 58.2 | Low | 50.8 | Low | 66 Ų | 66 | 81.2 Ų | 81.2 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 170.8 | -76.2 | 163.7 | 0 | 0 | 0 | 112.1 | F611 N621 C622 K627 H628 E629 | F611-L625 HydrophobicContact CE1-CB 4.1Å; N621-L625 WeakPolarHBondContact O-CG 3.1Å; N621-L625 PolarHBondContact O-N 3.38Å; C622-L625 WeakPolarHBondContact O-CB 3.39Å; C622-L625 PolarHBondContact O-N 3.32Å; L625-K627 VanDerWaalsContact C-N 3.35Å; L625-H628 PolarHBondContact O-N 2.98Å; L625-E629 WeakPolarHBondContact O-CG 2.9Å; L625-E629 PolarHBondContact O-N 3.23Å |
| 626 | I | 53.9 | Low | 50.6 | Low | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.092 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 178.1 | -69.8 | 164.4 | 0 | 0 | 0 | 111 | F611 C622 Y623 E624 K640 L642 | F611-I626 HydrophobicContact CD1-CD1 4.44Å; F611-I626 HydrophobicContact CD1-CG1 4.26Å; F611-I626 HydrophobicContact CD2-CD1 4.08Å; F611-I626 HydrophobicContact CD2-CG1 4.16Å; F611-I626 HydrophobicContact CE1-CG1 3.87Å; F611-I626 HydrophobicContact CE2-CD1 4.18Å; F611-I626 HydrophobicContact CE2-CG1 3.76Å; F611-I626 HydrophobicContact CG-CD1 4.22Å; F611-I626 HydrophobicContact CG-CG1 4.39Å; F611-I626 HydrophobicContact CZ-CD1 4.4Å; F611-I626 HydrophobicContact CZ-CG1 3.6Å; C622-I626 WeakPolarHBondContact O-CG1 3.45Å; C622-I626 PolarHBondContact O-N 3.19Å; Y623-I626 PolarHBondContact O-N 3.3Å; E624-I626 VanDerWaalsContact C-N 3.34Å; E624-I626 PolarHBondContact O-N 3.27Å; I626-K640 HydrophobicContact CG1-CD 4.45Å; I626-K640 HydrophobicContact CG2-CD 4.12Å; I626-K640 PolarHBondContact O-NZ 2.91Å; I626-L642 HydrophobicContact CD1-CD1 3.92Å; I626-L642 HydrophobicContact CD1-CD2 3.87Å; I626-L642 HydrophobicContact CD1-CG 4.05Å |
| 627 | K | 51.9 | Low | 50.4 | Low | 143 Ų | 143 | 87.6 Ų | 87.6 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.1 | -42.7 | 175.7 | -73.9 | 178.8 | -171.6 | 167.1 | 0 | 112.6 | Y623 E624 L625 | Y623-K627 WeakPolarHBondContact O-CG 3.31Å; Y623-K627 PolarHBondContact O-N 2.98Å; E624-K627 PolarHBondContact O-N 2.79Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 3.21Å; L625-K627 VanDerWaalsContact C-N 3.35Å |
| 628 | H | 50.7 | Low | 50.1 | Low | 149 Ų | 149 | 84 Ų | 84 | 69% | 0.69 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -78.8 | -17.9 | -176.2 | -82.1 | -66.6 | 0 | 0 | 0 | 114 | E624 L625 S630 | E624-H628 WeakPolarHBondContact O-CB 3.37Å; E624-H628 PolarHBondContact O-CD2 3.14Å; E624-H628 PolarHBondContact O-N 2.86Å; E624-H628 IonicContact OE2-CD2 2.97Å; E624-H628 IonicContact OE2-NE2 3.09Å; L625-H628 PolarHBondContact O-N 2.98Å; H628-S630 VanDerWaalsContact C-N 3.34Å; H628-S630 PolarHBondContact O-N 2.99Å |
| 629 | E | 46 | Very low | 49.9 | Very low | 32 Ų | 32 | 84 Ų | 84 | 15% | 0.15 | 45% | 0.448 | C | S | . | . | trans | -71.2 | 93.1 | 170.5 | -83.1 | -170.4 | 161.9 | 0 | 0 | 110.5 | R455 L625 K640 | R455-E629 IonicContact CZ-OE1 2.88Å; R455-E629 IonicContact NH1-OE1 3.97Å; R455-E629 PolarHBondContact NH1-OE1 2.9Å; R455-E629 IonicContact NH2-OE1 3.38Å; R455-E629 PolarHBondContact NH2-OE1 2.75Å; L625-E629 WeakPolarHBondContact O-CG 2.9Å; L625-E629 PolarHBondContact O-N 3.23Å; E629-K640 IonicContact OE2-NZ 3.41Å | ||
| 630 | S | 42.5 | Very low | 49.5 | Very low | 92 Ų | 92 | 83.3 Ų | 83.3 | 64% | 0.643 | 44% | 0.443 | S | S | * | . | trans | -51.8 | 140.5 | 157.6 | 44 | 0 | 0 | 0 | 0 | 109.2 | H628 I632 | H628-S630 VanDerWaalsContact C-N 3.34Å; H628-S630 PolarHBondContact O-N 2.99Å; S630-I632 PolarHBondContact O-N 3.31Å | ||
| 631 | P | 43.9 | Very low | 49.3 | Very low | 126 Ų | 126 | 79 Ų | 79 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | trans | -56.5 | 107.8 | -177.1 | 22.4 | -32.2 | 0 | 0 | 0 | 109.2 | S633 | P631-S633 PolarHBondContact O-N 3.21Å; P631-S633 VanDerWaalsContact O-N 3.12Å | ||
| 632 | I | 41.8 | Very low | 48.3 | Very low | 90 Ų | 90 | 74 Ų | 74 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | trans | -60.4 | 117.4 | 176.5 | -62.6 | 167.3 | 0 | 0 | 0 | 106.8 | S630 | S630-I632 PolarHBondContact O-N 3.31Š| ||
| 633 | S | 40.3 | Very low | 47.8 | Very low | 85 Ų | 85 | 74.5 Ų | 74.5 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | trans | 25.6 | 108.1 | 168.5 | 65.8 | 0 | 0 | 0 | 0 | 118.2 | P631 V635 | P631-S633 PolarHBondContact O-N 3.21Å; P631-S633 VanDerWaalsContact O-N 3.12Å; S633-V635 PolarHBondContact O-N 3.18Å | ||
| 634 | T | 41.9 | Very low | 47.1 | Very low | 151 Ų | 151 | 72.8 Ų | 72.8 | 93% | 0.926 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 13.4 | -8.7 | 150.3 | 50.7 | 0 | 0 | 0 | 0 | 125 | ||
| 635 | V | 44.9 | Very low | 46.3 | Very low | 123 Ų | 123 | 69.7 Ų | 69.7 | 75% | 0.745 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -38.6 | -173.9 | -168.7 | 0 | 0 | 0 | 0 | 113.5 | S633 | S633-V635 PolarHBondContact O-N 3.18Š|
| 636 | Q | 46.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 68.2 Ų | 68.2 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -147.5 | 132.7 | 180 | -69.1 | -179.9 | -36.2 | 0 | 0 | 112.6 | E605 P638 | E605-Q636 PolarHBondContact O-OE1 2.9Å; Q636-P638 WeakPolarHBondContact O-CD 3.43Å | ||
| 637 | K | 45.9 | Very low | 44.5 | Very low | 167 Ų | 167 | 70.1 Ų | 70.1 | 73% | 0.726 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 116.9 | -177.5 | -70.3 | -179.9 | 179.6 | 178.5 | 0 | 109.7 | ||
| 638 | P | 50.3 | Low | 43.6 | Very low | 31 Ų | 31 | 65.4 Ų | 65.4 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 138.7 | 176 | 27.7 | -34.5 | 0 | 0 | 0 | 111 | C607 Y609 Q636 | C607-P638 HydrophobicContact CB-CB 4.37Å; Y609-P638 HydrophobicContact CD2-CB 3.55Å; Y609-P638 HydrophobicContact CE2-CB 3.29Å; Y609-P638 HydrophobicContact CE2-CG 4.24Å; Q636-P638 WeakPolarHBondContact O-CD 3.43Å |
| 639 | I | 52.3 | Low | 42.9 | Very low | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119 | 173.6 | -59.1 | 168 | 0 | 0 | 0 | 107.3 | C607 V608 Y609 V641 L691 T692 T695 S711 | C607-I639 PolarHBondContact O-N 3Å; V608-I639 CarbonylContact C-O 3.49Å; V608-I639 WeakPolarHBondContact CA-O 3.36Å; Y609-I639 PolarHBondContact N-O 2.61Å; I639-V641 HydrophobicContact CG2-CG2 4.17Å; I639-L691 HydrophobicContact CD1-CB 4.25Å; I639-L691 WeakPolarHBondContact CD1-O 3.38Å; I639-L691 HydrophobicContact CG2-CB 4.39Å; I639-L691 HydrophobicContact CG2-CD1 4.24Å; I639-T692 HydrophobicContact CD1-CG2 4.32Å; I639-T695 HydrophobicContact CD1-CG2 3.95Å; I639-T695 HydrophobicContact CG1-CG2 4.44Å; I639-S711 WeakPolarHBondContact CG2-OG 3.31Å |
| 640 | K | 45.4 | Very low | 42.2 | Very low | 22 Ų | 22 | 67.1 Ų | 67.1 | 10% | 0.096 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.7 | 179.8 | -63.2 | -175.8 | 178.5 | -174.9 | 0 | 108.7 | F611 I626 E629 N709 N710 S711 | F611-K640 HydrophobicContact CE2-CB 4.24Å; F611-K640 HydrophobicContact CE2-CD 4.36Å; F611-K640 HydrophobicContact CE2-CG 4.21Å; I626-K640 HydrophobicContact CG1-CD 4.45Å; I626-K640 HydrophobicContact CG2-CD 4.12Å; I626-K640 PolarHBondContact O-NZ 2.91Å; E629-K640 IonicContact OE2-NZ 3.41Å; K640-N709 PolarHBondContact N-O 2.96Å; K640-N709 VanDerWaalsContact N-O 3.12Å; K640-N710 WeakPolarHBondContact CB-OD1 3.35Å; K640-N710 WeakPolarHBondContact CD-OD1 3.47Å; K640-N710 CarbonylContact O-C 3.6Å; K640-N710 WeakPolarHBondContact O-CA 3.05Å; K640-S711 PolarHBondContact O-N 3.06Å |
| 641 | V | 49.9 | Very low | 41.8 | Very low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.2 | 177 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V608 Y609 L610 F611 I639 L688 L691 S711 I713 | V608-V641 HydrophobicContact CG1-CG2 3.95Å; Y609-V641 PolarHBondContact O-N 2.95Å; L610-V641 CarbonylContact C-O 3.59Å; L610-V641 WeakPolarHBondContact CA-O 3.42Å; L610-V641 HydrophobicContact CD1-CB 4.24Å; L610-V641 HydrophobicContact CD1-CG1 3.96Å; F611-V641 PolarHBondContact N-O 2.9Å; I639-V641 HydrophobicContact CG2-CG2 4.17Å; V641-L688 HydrophobicContact CG1-CD2 4.31Å; V641-L688 HydrophobicContact CG2-CD2 4.13Å; V641-L691 HydrophobicContact CG2-CD1 3.67Å; V641-S711 WeakPolarHBondContact CA-O 3.33Å; V641-I713 HydrophobicContact CG1-CB 4.23Å; V641-I713 HydrophobicContact CG1-CD1 4.03Å; V641-I713 HydrophobicContact CG1-CG1 4.27Å |
| 642 | L | 40.7 | Very low | 41.6 | Very low | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.2 | 173.5 | -80.5 | 138.2 | 0 | 0 | 0 | 109.5 | F611 Y613 L619 I626 F712 | F611-L642 HydrophobicContact CB-CD2 3.94Å; F611-L642 HydrophobicContact CB-CG 4.27Å; Y613-L642 HydrophobicContact CE1-CD2 4.39Å; L619-L642 HydrophobicContact CD1-CD2 4.06Å; I626-L642 HydrophobicContact CD1-CD1 3.92Å; I626-L642 HydrophobicContact CD1-CD2 3.87Å; I626-L642 HydrophobicContact CD1-CG 4.05Å; L642-F712 HydrophobicContact CB-CD2 3.71Å; L642-F712 HydrophobicContact CB-CE2 3.85Å; L642-F712 HydrophobicContact CD1-CD2 3.98Å; L642-F712 HydrophobicContact CD1-CE2 4.49Å; L642-F712 HydrophobicContact CG-CD2 4.47Å |
| 643 | A | 44.3 | Very low | 41.4 | Very low | 13 Ų | 13 | 69.7 Ų | 69.7 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 131.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | L610 F611 I612 Y613 | L610-A643 HydrophobicContact CD1-CB 3.81Å; L610-A643 HydrophobicContact CG-CB 4.43Å; F611-A643 PolarHBondContact O-N 3.35Å; I612-A643 WeakPolarHBondContact CA-O 3.4Å; Y613-A643 WeakPolarHBondContact CD1-O 3.4Å; Y613-A643 WeakPolarHBondContact CE1-O 3.45Å; Y613-A643 PolarHBondContact N-O 3.46Å |
| 644 | Y | 39.6 | Very low | 41.3 | Very low | 47 Ų | 47 | 70.4 Ų | 70.4 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139.7 | 176.3 | -174.6 | -125.6 | 0 | 0 | 0 | 111.4 | Y613 C646 I726 | Y613-Y644 AromaticContact CD2-CD2 3.29Å; Y613-Y644 HydrophobicContact CD2-CD2 3.29Å; Y613-Y644 AromaticContact CD2-CE2 3.85Å; Y613-Y644 HydrophobicContact CD2-CE2 3.85Å; Y613-Y644 HydrophobicContact CD2-CG 4.35Å; Y613-Y644 AromaticContact CE2-CD2 3.09Å; Y613-Y644 HydrophobicContact CE2-CD2 3.09Å; Y613-Y644 AromaticContact CE2-CE2 3.85Å; Y613-Y644 HydrophobicContact CE2-CE2 3.85Å; Y613-Y644 AromaticContact CE2-CG 3.82Å; Y613-Y644 HydrophobicContact CE2-CG 3.82Å; Y613-Y644 HydrophobicContact CG-CD2 4.17Å; Y613-Y644 AromaticContact CZ-CD2 3.83Å; Y613-Y644 VanDerWaalsContact O-CD2 3.26Å; Y613-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y644-C646 HydrophobicContact CE1-CB 4.02Å; Y644-I726 HydrophobicContact CD1-CD1 4.42Å; Y644-I726 HydrophobicContact CE1-CD1 4.19Å |
| 645 | I | 42.4 | Very low | 41 | Very low | 15 Ų | 15 | 65.6 Ų | 65.6 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | trans | -120.4 | 115.5 | 168.1 | -68.7 | -171.8 | 0 | 0 | 0 | 110 | V464 I612 Y613 K614 C647 V665 | V464-I645 HydrophobicContact CG2-CD1 3.38Å; I612-I645 HydrophobicContact CB-CD1 4.49Å; I612-I645 HydrophobicContact CD1-CD1 4.08Å; I612-I645 HydrophobicContact CG2-CB 4.17Å; I612-I645 HydrophobicContact CG2-CD1 3.26Å; I612-I645 HydrophobicContact CG2-CG1 3.64Å; Y613-I645 PolarHBondContact O-N 2.94Å; K614-I645 WeakPolarHBondContact CA-O 3.45Å; I645-C647 VanDerWaalsContact CG2-SG 3.52Å; I645-C647 PolarHBondContact O-N 3.15Å; I645-V665 HydrophobicContact CG1-CG2 4.16Å | ||
| 646 | C | 36.5 | Very low | 40.4 | Very low | 35 Ų | 35 | 66.9 Ų | 66.9 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | trans | -80.7 | 102.8 | 170.6 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | Y644 V665 L721 | Y644-C646 HydrophobicContact CE1-CB 4.02Å; C646-V665 HydrophobicContact CB-CG1 4.4Å; C646-L721 HydrophobicContact CB-CD2 4.4Å | ||
| 647 | C | 37 | Very low | 39.8 | Very low | 57 Ų | 57 | 68 Ų | 68 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | trans | -111 | 83 | 168.2 | -75.6 | 0 | 0 | 0 | 0 | 109.5 | I645 N649 | I645-C647 VanDerWaalsContact CG2-SG 3.52Å; I645-C647 PolarHBondContact O-N 3.15Å; C647-N649 PolarHBondContact O-N 3.01Å | ||
| 648 | S | 33.6 | Very low | 39.3 | Very low | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | trans | -76.5 | 112.4 | 174 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | C650 S667 | S648-C650 PolarHBondContact O-N 2.94Å; S648-S667 PolarHBondContact OG-OG 3.36Å | ||
| 649 | N | 34.9 | Very low | 38.5 | Very low | 168 Ų | 168 | 62.4 Ų | 62.4 | 90% | 0.898 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 53.8 | 34.6 | 156.5 | -69.5 | -8.9 | 0 | 0 | 0 | 119.8 | C647 | C647-N649 PolarHBondContact O-N 3.01Š|
| 650 | C | 31.4 | Very low | 37.5 | Very low | 48 Ų | 48 | 67.3 Ų | 67.3 | 32% | 0.324 | 36% | 0.358 | S | S | . | . | trans | -86.2 | 140.2 | 172.2 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | S648 E654 E655 | S648-C650 PolarHBondContact O-N 2.94Å; C650-E654 HydrophobicContact CB-CB 4.08Å; C650-E655 HydrophobicContact CB-CG 3.94Å | ||
| 651 | N | 33.8 | Very low | 36.8 | Very low | 121 Ų | 121 | 69.7 Ų | 69.7 | 65% | 0.647 | 38% | 0.377 | S | S | * | . | trans | -67.1 | 156.8 | 168.1 | -75.9 | -44.7 | 0 | 0 | 0 | 110.6 | L653 E654 E655 | N651-L653 PolarHBondContact O-N 3Å; N651-E654 CarbonylContact O-C 3.49Å; N651-E654 WeakPolarHBondContact O-CA 3.44Å; N651-E654 WeakPolarHBondContact O-CB 3.15Å; N651-E654 PolarHBondContact O-N 2.92Å; N651-E655 PolarHBondContact O-N 2.88Å | ||
| 652 | T | 40.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 69.9 Ų | 69.9 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -53.6 | -31.4 | -176.7 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | R656 | T652-R656 PolarHBondContact O-N 3.26Å |
| 653 | L | 37 | Very low | 34.8 | Very low | 132 Ų | 132 | 72.6 Ų | 72.6 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.8 | -32.1 | 175.8 | -159.5 | 79.2 | 0 | 0 | 0 | 112.5 | N651 N657 | N651-L653 PolarHBondContact O-N 3Å; L653-N657 PolarHBondContact O-N 3.34Å; L653-N657 PolarHBondContact O-ND2 3.28Å |
| 654 | E | 38.3 | Very low | 33.8 | Very low | 101 Ų | 101 | 73.5 Ų | 73.5 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.7 | -38.9 | 174.2 | -75.8 | 174.8 | 157.8 | 0 | 0 | 110.8 | C650 N651 R656 N657 V658 | C650-E654 HydrophobicContact CB-CB 4.08Å; N651-E654 CarbonylContact O-C 3.49Å; N651-E654 WeakPolarHBondContact O-CA 3.44Å; N651-E654 WeakPolarHBondContact O-CB 3.15Å; N651-E654 PolarHBondContact O-N 2.92Å; E654-R656 VanDerWaalsContact C-N 3.27Å; E654-R656 PolarHBondContact O-N 2.9Å; E654-N657 PolarHBondContact O-N 2.81Å; E654-V658 WeakPolarHBondContact O-CB 3Å; E654-V658 WeakPolarHBondContact O-CG2 3.36Å; E654-V658 PolarHBondContact O-N 2.96Å |
| 655 | E | 35.6 | Very low | 33.2 | Very low | 49 Ų | 49 | 72 Ų | 72 | 23% | 0.229 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -52 | -47.3 | 171.7 | -75.5 | -179 | 146.8 | 0 | 0 | 111.4 | C650 N651 V658 I659 | C650-E655 HydrophobicContact CB-CG 3.94Å; N651-E655 PolarHBondContact O-N 2.88Å; E655-V658 PolarHBondContact O-N 2.75Å; E655-I659 VanDerWaalsContact O-CB 3.31Å; E655-I659 WeakPolarHBondContact O-CB 3.34Å; E655-I659 WeakPolarHBondContact O-CD1 3.37Å; E655-I659 WeakPolarHBondContact O-CG1 3.49Å; E655-I659 PolarHBondContact O-N 2.95Å |
| 656 | R | 32.9 | Very low | 32.4 | Very low | 150 Ų | 150 | 72.7 Ų | 72.7 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | -179.6 | -152.1 | -178.6 | -172.1 | 162.4 | 3.4 | 112.2 | Y463 T652 E654 L660 | Y463-R656 HydrophobicContact CE1-CG 4.49Å; T652-R656 PolarHBondContact O-N 3.26Å; E654-R656 VanDerWaalsContact C-N 3.27Å; E654-R656 PolarHBondContact O-N 2.9Å; R656-L660 HydrophobicContact CG-CD1 4Å; R656-L660 WeakPolarHBondContact O-CB 3.22Å; R656-L660 WeakPolarHBondContact O-CD1 3.29Å; R656-L660 WeakPolarHBondContact O-CG 3.42Å; R656-L660 PolarHBondContact O-N 2.89Å |
| 657 | N | 34.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 74.2 Ų | 74.2 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71 | -37.3 | 178.7 | -75.9 | -24.8 | 0 | 0 | 0 | 112.2 | L653 E654 S661 | L653-N657 PolarHBondContact O-N 3.34Å; L653-N657 PolarHBondContact O-ND2 3.28Å; E654-N657 PolarHBondContact O-N 2.81Å; N657-S661 WeakPolarHBondContact O-CB 3.35Å; N657-S661 PolarHBondContact O-N 2.89Å; N657-S661 PolarHBondContact O-OG 2.66Å |
| 658 | V | 34.2 | Very low | 31.1 | Very low | 48 Ų | 48 | 80.4 Ų | 80.4 | 29% | 0.291 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.5 | -51 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | E654 E655 S661 L663 | E654-V658 WeakPolarHBondContact O-CB 3Å; E654-V658 WeakPolarHBondContact O-CG2 3.36Å; E654-V658 PolarHBondContact O-N 2.96Å; E655-V658 PolarHBondContact O-N 2.75Å; V658-S661 WeakPolarHBondContact CA-OG 3.5Å; V658-S661 PolarHBondContact O-N 3.01Å; V658-S661 VanDerWaalsContact O-N 3.14Å; V658-S661 PolarHBondContact O-OG 2.85Å; V658-L663 HydrophobicContact CG1-CB 3.57Å; V658-L663 HydrophobicContact CG1-CD1 4.3Å; V658-L663 HydrophobicContact CG1-CG 4.43Å; V658-L663 WeakPolarHBondContact O-CB 3.44Å; V658-L663 PolarHBondContact O-N 2.91Å |
| 659 | I | 33.8 | Very low | 30.7 | Very low | 34 Ų | 34 | 85.5 Ų | 85.5 | 17% | 0.174 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 179.8 | -64 | 167.8 | 0 | 0 | 0 | 111.6 | Y463 A467 E655 S661 G662 | Y463-I659 HydrophobicContact CG-CD1 4.19Å; A467-I659 HydrophobicContact CB-CG2 3.91Å; E655-I659 VanDerWaalsContact O-CB 3.31Å; E655-I659 WeakPolarHBondContact O-CB 3.34Å; E655-I659 WeakPolarHBondContact O-CD1 3.37Å; E655-I659 WeakPolarHBondContact O-CG1 3.49Å; E655-I659 PolarHBondContact O-N 2.95Å; I659-S661 PolarHBondContact O-N 3.06Å; I659-G662 PolarHBondContact O-N 2.77Å |
| 660 | L | 31.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 88.1 Ų | 88.1 | 59% | 0.592 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -22.5 | 175.1 | -74.7 | 169.6 | 0 | 0 | 0 | 112.8 | R656 G662 | R656-L660 HydrophobicContact CG-CD1 4Å; R656-L660 WeakPolarHBondContact O-CB 3.22Å; R656-L660 WeakPolarHBondContact O-CD1 3.29Å; R656-L660 WeakPolarHBondContact O-CG 3.42Å; R656-L660 PolarHBondContact O-N 2.89Å; L660-G662 PolarHBondContact O-N 3.18Å |
| 661 | S | 30.9 | Very low | 29.8 | Very low | 71 Ų | 71 | 90.5 Ų | 90.5 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 9.7 | 172.1 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | N657 V658 I659 L663 | N657-S661 WeakPolarHBondContact O-CB 3.35Å; N657-S661 PolarHBondContact O-N 2.89Å; N657-S661 PolarHBondContact O-OG 2.66Å; V658-S661 WeakPolarHBondContact CA-OG 3.5Å; V658-S661 PolarHBondContact O-N 3.01Å; V658-S661 VanDerWaalsContact O-N 3.14Å; V658-S661 PolarHBondContact O-OG 2.85Å; I659-S661 PolarHBondContact O-N 3.06Å; S661-L663 VanDerWaalsContact C-N 3.27Å; S661-L663 PolarHBondContact O-N 2.83Å; S661-L663 VanDerWaalsContact OG-CD1 3.31Å; S661-L663 WeakPolarHBondContact OG-CD1 3.17Å |
| 662 | G | 24.1 | Very low | 29.3 | Very low | 4 Ų | 4 | 88.3 Ų | 88.3 | 4% | 0.041 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I659 L660 V664 L674 | I659-G662 PolarHBondContact O-N 2.77Å; L660-G662 PolarHBondContact O-N 3.18Å; G662-V664 VanDerWaalsContact C-N 3.27Å; G662-V664 PolarHBondContact O-N 3.3Å; G662-L674 CarbonylContact O-C 3.58Å |
| 663 | L | 25 | Very low | 28.7 | Very low | 62 Ų | 62 | 88.4 Ų | 88.4 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | trans | -80.4 | 76.8 | 175.6 | -88.2 | 134.4 | 0 | 0 | 0 | 109.9 | V658 S661 | V658-L663 HydrophobicContact CG1-CB 3.57Å; V658-L663 HydrophobicContact CG1-CD1 4.3Å; V658-L663 HydrophobicContact CG1-CG 4.43Å; V658-L663 WeakPolarHBondContact O-CB 3.44Å; V658-L663 PolarHBondContact O-N 2.91Å; S661-L663 VanDerWaalsContact C-N 3.27Å; S661-L663 PolarHBondContact O-N 2.83Å; S661-L663 VanDerWaalsContact OG-CD1 3.31Å; S661-L663 WeakPolarHBondContact OG-CD1 3.17Å | ||
| 664 | V | 23.1 | Very low | 28.3 | Very low | 31 Ų | 31 | 83.5 Ų | 83.5 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | trans | -84.9 | 108.7 | 157.8 | 174.9 | 0 | 0 | 0 | 0 | 106.3 | G662 L674 | G662-V664 VanDerWaalsContact C-N 3.27Å; G662-V664 PolarHBondContact O-N 3.3Å; V664-L674 HydrophobicContact CB-CB 3.91Å; V664-L674 HydrophobicContact CB-CD1 3.3Å; V664-L674 HydrophobicContact CB-CG 4.18Å; V664-L674 HydrophobicContact CG1-CD1 3.28Å; V664-L674 HydrophobicContact CG2-CB 4.25Å; V664-L674 HydrophobicContact CG2-CD1 3.88Å | ||
| 665 | V | 26.5 | Very low | 28.1 | Very low | 16 Ų | 16 | 80.8 Ų | 80.8 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 76.4 | 119.3 | 167.1 | -163.3 | 0 | 0 | 0 | 0 | 117.6 | I645 C646 I719 L721 | I645-V665 HydrophobicContact CG1-CG2 4.16Å; C646-V665 HydrophobicContact CB-CG1 4.4Å; V665-I719 HydrophobicContact CB-CD1 4Å; V665-I719 HydrophobicContact CG1-CD1 3.77Å; V665-I719 HydrophobicContact CG1-CG2 4.14Å; V665-I719 HydrophobicContact CG2-CD1 4.32Å; V665-L721 HydrophobicContact CG1-CD2 4.4Å |
| 666 | S | 24.6 | Very low | 28 | Very low | 30 Ų | 30 | 82.2 Ų | 82.2 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | trans | 94.2 | 114.4 | 169.9 | -162.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 667 | S | 24.4 | Very low | 28.2 | Very low | 66 Ų | 66 | 82.5 Ų | 82.5 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -97.9 | 8.4 | -173.5 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | S648 | S648-S667 PolarHBondContact OG-OG 3.36Š|
| 668 | R | 23.6 | Very low | 28.5 | Very low | 187 Ų | 187 | 79 Ų | 79 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -122.4 | -10.6 | -169.6 | -72.3 | -163.2 | 174.2 | 160.2 | 0.1 | 118.2 | ||
| 669 | F | 24.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 84.6 Ų | 84.6 | 67% | 0.667 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -134.3 | 129.8 | 166.7 | -70.6 | -82.9 | 0 | 0 | 0 | 108.3 | I671 | F669-I671 PolarHBondContact O-N 3.35Š|
| 670 | R | 25.2 | Very low | 29.3 | Very low | 224 Ų | 224 | 84.8 Ų | 84.8 | 85% | 0.845 | 43% | 0.434 | S | S | * | . | trans | -70.5 | 56.5 | -177.4 | -72.1 | -174.3 | 174.2 | 167.7 | 0 | 111.9 | ||||
| 671 | I | 23.1 | Very low | 30.1 | Very low | 98 Ų | 98 | 79.9 Ų | 79.9 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | trans | -119 | 98.9 | 174.1 | -47.3 | 178.8 | 0 | 0 | 0 | 107 | F669 Y673 | F669-I671 PolarHBondContact O-N 3.35Å; I671-Y673 HydrophobicContact CB-CD2 4.46Å; I671-Y673 HydrophobicContact CB-CE2 4.23Å; I671-Y673 HydrophobicContact CG2-CD2 3.86Å; I671-Y673 HydrophobicContact CG2-CE2 3.34Å; I671-Y673 PolarHBondContact O-N 3.4Å | ||
| 672 | P | 23 | Very low | 31.1 | Very low | 74 Ų | 74 | 78.9 Ų | 78.9 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | trans | -78.8 | 96.7 | -171.9 | 29.7 | -32.3 | 0 | 0 | 0 | 111.6 | L674 | P672-L674 PolarHBondContact O-N 2.8Š| ||
| 673 | Y | 27.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 82.4 Ų | 82.4 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 61.2 | 173.4 | -77.8 | -79.8 | 0 | 0 | 0 | 112.2 | I671 | I671-Y673 HydrophobicContact CB-CD2 4.46Å; I671-Y673 HydrophobicContact CB-CE2 4.23Å; I671-Y673 HydrophobicContact CG2-CD2 3.86Å; I671-Y673 HydrophobicContact CG2-CE2 3.34Å; I671-Y673 PolarHBondContact O-N 3.4Å |
| 674 | L | 29.3 | Very low | 33.9 | Very low | 28 Ų | 28 | 80.8 Ų | 80.8 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -171.3 | 48.7 | 146.8 | -100.4 | 154.6 | 0 | 0 | 0 | 107.5 | G662 V664 P672 V676 L681 | G662-L674 CarbonylContact O-C 3.58Å; V664-L674 HydrophobicContact CB-CB 3.91Å; V664-L674 HydrophobicContact CB-CD1 3.3Å; V664-L674 HydrophobicContact CB-CG 4.18Å; V664-L674 HydrophobicContact CG1-CD1 3.28Å; V664-L674 HydrophobicContact CG2-CB 4.25Å; V664-L674 HydrophobicContact CG2-CD1 3.88Å; P672-L674 PolarHBondContact O-N 2.8Å; L674-V676 PolarHBondContact O-N 3.04Å; L674-L681 HydrophobicContact CD2-CB 3.91Å; L674-L681 HydrophobicContact CD2-CD1 3.42Å; L674-L681 VanDerWaalsContact CD2-CD1 3.42Å; L674-L681 HydrophobicContact CD2-CG 4.16Å |
| 675 | A | 33.1 | Very low | 35.6 | Very low | 44 Ų | 44 | 79.4 Ų | 79.4 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | trans | -60.8 | 137.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | N677 S678 | A675-N677 PolarHBondContact O-N 3.22Å; A675-S678 WeakPolarHBondContact O-CB 3.44Å; A675-S678 PolarHBondContact O-N 3.39Å | ||
| 676 | V | 33.8 | Very low | 37 | Very low | 80 Ų | 80 | 79.5 Ų | 79.5 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -22.7 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | L471 L674 | L471-V676 HydrophobicContact CD2-CB 3.96Å; L471-V676 HydrophobicContact CD2-CG1 4.44Å; L471-V676 HydrophobicContact CD2-CG2 3.34Å; L674-V676 PolarHBondContact O-N 3.04Å |
| 677 | N | 38 | Very low | 38.5 | Very low | 156 Ų | 156 | 80.5 Ų | 80.5 | 83% | 0.834 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 22.3 | -174.6 | -55.4 | -19.6 | 0 | 0 | 0 | 113.3 | A675 | A675-N677 PolarHBondContact O-N 3.22Š|
| 678 | S | 40 | Very low | 40.1 | Very low | 30 Ų | 30 | 77.5 Ų | 77.5 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | trans | -84.4 | 136.8 | 179.2 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | A675 S680 L681 | A675-S678 WeakPolarHBondContact O-CB 3.44Å; A675-S678 PolarHBondContact O-N 3.39Å; S678-S680 PolarHBondContact O-N 3.05Å; S678-S680 VanDerWaalsContact O-N 3.08Å; S678-S680 VanDerWaalsContact OG-CB 3.28Å; S678-S680 WeakPolarHBondContact OG-CB 3.32Å; S678-S680 PolarHBondContact OG-N 3.26Å; S678-S680 PolarHBondContact OG-OG 2.86Å; S678-S680 VanDerWaalsContact OG-OG 3.07Å; S678-L681 PolarHBondContact O-N 2.85Å | ||
| 679 | E | 42.6 | Very low | 41.9 | Very low | 165 Ų | 165 | 68.8 Ų | 68.8 | 77% | 0.771 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -52.1 | -26.5 | 166.9 | -75.8 | -177.1 | 152.7 | 0 | 0 | 112.5 | L681 A682 M683 | E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 2.98Å; E679-A682 WeakPolarHBondContact O-CB 3.13Å; E679-A682 PolarHBondContact O-N 2.7Å; E679-M683 WeakPolarHBondContact O-CB 3.31Å; E679-M683 WeakPolarHBondContact O-CG 3.34Å; E679-M683 PolarHBondContact O-N 3.01Å |
| 680 | S | 42.4 | Very low | 43.7 | Very low | 37 Ų | 37 | 65.8 Ų | 65.8 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 176.7 | -44.7 | 0 | 0 | 0 | 0 | 112.9 | S678 F684 | S678-S680 PolarHBondContact O-N 3.05Å; S678-S680 VanDerWaalsContact O-N 3.08Å; S678-S680 VanDerWaalsContact OG-CB 3.28Å; S678-S680 WeakPolarHBondContact OG-CB 3.32Å; S678-S680 PolarHBondContact OG-N 3.26Å; S678-S680 PolarHBondContact OG-OG 2.86Å; S678-S680 VanDerWaalsContact OG-OG 3.07Å; S680-F684 VanDerWaalsContact O-CB 3.3Å; S680-F684 WeakPolarHBondContact O-CB 3.13Å; S680-F684 PolarHBondContact O-N 3.39Å |
| 681 | L | 48.4 | Very low | 45 | Very low | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 173.6 | 176.7 | 65.3 | 0 | 0 | 0 | 110.2 | L471 C472 L674 S678 E679 M683 F684 L685 | L471-L681 HydrophobicContact CB-CD2 4.24Å; C472-L681 HydrophobicContact CB-CD2 4.3Å; L674-L681 HydrophobicContact CD2-CB 3.91Å; L674-L681 HydrophobicContact CD2-CD1 3.42Å; L674-L681 VanDerWaalsContact CD2-CD1 3.42Å; L674-L681 HydrophobicContact CD2-CG 4.16Å; S678-L681 PolarHBondContact O-N 2.85Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 2.98Å; L681-M683 VanDerWaalsContact C-N 3.34Å; L681-F684 HydrophobicContact CD1-CD1 4.29Å; L681-F684 WeakPolarHBondContact O-CB 3.25Å; L681-F684 PolarHBondContact O-N 3.41Å; L681-L685 HydrophobicContact CD1-CD1 4.13Å; L681-L685 HydrophobicContact CD1-CG 4.35Å; L681-L685 HydrophobicContact CG-CD1 4.06Å; L681-L685 WeakPolarHBondContact O-CG 3.5Å; L681-L685 PolarHBondContact O-N 3.1Å |
| 682 | A | 51.5 | Low | 46.3 | Very low | 51 Ų | 51 | 52.7 Ų | 52.7 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E679 F684 L685 D686 | E679-A682 WeakPolarHBondContact O-CB 3.13Å; E679-A682 PolarHBondContact O-N 2.7Å; A682-F684 PolarHBondContact O-N 3.14Å; A682-L685 PolarHBondContact O-N 3.12Å; A682-D686 WeakPolarHBondContact O-CB 3.45Å; A682-D686 PolarHBondContact O-N 2.84Å |
| 683 | M | 52.9 | Low | 47.8 | Very low | 77 Ų | 77 | 50.6 Ų | 50.6 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 173.1 | -77.7 | 174.3 | 25.9 | 0 | 0 | 113.4 | E679 L681 D686 N687 F718 | E679-M683 WeakPolarHBondContact O-CB 3.31Å; E679-M683 WeakPolarHBondContact O-CG 3.34Å; E679-M683 PolarHBondContact O-N 3.01Å; L681-M683 VanDerWaalsContact C-N 3.34Å; M683-D686 PolarHBondContact O-N 3.42Å; M683-N687 WeakPolarHBondContact O-CB 3.2Å; M683-N687 VanDerWaalsContact O-CG 3.23Å; M683-N687 PolarHBondContact O-N 3.01Å; M683-N687 PolarHBondContact O-ND2 2.89Å; M683-F718 HydrophobicContact CE-CD1 3.73Å; M683-F718 HydrophobicContact CE-CE1 3.57Å |
| 684 | F | 54.3 | Low | 48.6 | Very low | 28 Ų | 28 | 50.2 Ų | 50.2 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 177.2 | 169.1 | -101.9 | 0 | 0 | 0 | 111.1 | L610 S680 L681 A682 N687 L688 W715 | L610-F684 HydrophobicContact CD2-CZ 4.45Å; S680-F684 VanDerWaalsContact O-CB 3.3Å; S680-F684 WeakPolarHBondContact O-CB 3.13Å; S680-F684 PolarHBondContact O-N 3.39Å; L681-F684 HydrophobicContact CD1-CD1 4.29Å; L681-F684 WeakPolarHBondContact O-CB 3.25Å; L681-F684 PolarHBondContact O-N 3.41Å; A682-F684 PolarHBondContact O-N 3.14Å; F684-N687 PolarHBondContact O-N 3.16Å; F684-L688 HydrophobicContact CD1-CD1 4.15Å; F684-L688 HydrophobicContact CE1-CD1 3.45Å; F684-L688 VanDerWaalsContact CE1-CD1 3.45Å; F684-L688 HydrophobicContact CE1-CG 4.4Å; F684-L688 HydrophobicContact CE2-CD1 3.92Å; F684-L688 HydrophobicContact CE2-CG 4.22Å; F684-L688 HydrophobicContact CZ-CD1 3.33Å; F684-L688 HydrophobicContact CZ-CG 4.12Å; F684-L688 WeakPolarHBondContact O-CG 3.09Å; F684-L688 PolarHBondContact O-N 3.3Å; F684-W715 HydrophobicContact CB-CH2 4.2Å; F684-W715 HydrophobicContact CB-CZ3 4.33Å; F684-W715 HydrophobicContact CD2-CD2 4.1Å; F684-W715 AromaticContact CD2-CE2 3.76Å; F684-W715 HydrophobicContact CD2-CE3 4.13Å; F684-W715 AromaticContact CD2-CH2 3.58Å; F684-W715 HydrophobicContact CD2-CH2 3.58Å; F684-W715 AromaticContact CD2-CZ2 3.5Å; F684-W715 HydrophobicContact CD2-CZ2 3.5Å; F684-W715 VanDerWaalsContact CD2-CZ2 3.5Å; F684-W715 AromaticContact CD2-CZ3 3.89Å; F684-W715 HydrophobicContact CD2-CZ3 3.89Å; F684-W715 HydrophobicContact CE2-CD2 4.39Å; F684-W715 AromaticContact CE2-CE2 3.87Å; F684-W715 HydrophobicContact CE2-CH2 4.43Å; F684-W715 AromaticContact CE2-CZ2 3.9Å; F684-W715 HydrophobicContact CE2-CZ2 3.9Å; F684-W715 HydrophobicContact CG-CH2 4.3Å |
| 685 | L | 58.7 | Low | 49.2 | Very low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.3 | -70.1 | 166 | 0 | 0 | 0 | 111.3 | C472 L474 Y477 L681 A682 N687 L688 L689 | C472-L685 HydrophobicContact CB-CD1 4.26Å; C472-L685 WeakPolarHBondContact SG-CD1 3.28Å; L474-L685 HydrophobicContact CD1-CD1 3.71Å; L474-L685 HydrophobicContact CD1-CD2 3.63Å; L474-L685 HydrophobicContact CD1-CG 4.33Å; L474-L685 HydrophobicContact CD2-CD1 4.29Å; L474-L685 HydrophobicContact CG-CD1 4.48Å; Y477-L685 HydrophobicContact CD2-CB 4.27Å; Y477-L685 HydrophobicContact CE2-CB 3.85Å; L681-L685 HydrophobicContact CD1-CD1 4.13Å; L681-L685 HydrophobicContact CD1-CG 4.35Å; L681-L685 HydrophobicContact CG-CD1 4.06Å; L681-L685 WeakPolarHBondContact O-CG 3.5Å; L681-L685 PolarHBondContact O-N 3.1Å; A682-L685 PolarHBondContact O-N 3.12Å; L685-N687 VanDerWaalsContact C-N 3.34Å; L685-N687 PolarHBondContact O-N 3.3Å; L685-L688 PolarHBondContact O-N 3.02Å; L685-L689 VanDerWaalsContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CB 3.25Å; L685-L689 WeakPolarHBondContact O-CD1 3.3Å; L685-L689 WeakPolarHBondContact O-CG 3.41Å; L685-L689 PolarHBondContact O-N 3.34Å |
| 686 | D | 57.5 | Low | 49.3 | Very low | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 176.8 | -158.9 | 47.7 | 0 | 0 | 0 | 110.4 | Y477 K480 A682 M683 L689 H690 | Y477-D686 VanDerWaalsContact OH-CA 3.26Å; Y477-D686 WeakPolarHBondContact OH-CA 3.32Å; Y477-D686 VanDerWaalsContact OH-CB 3.25Å; Y477-D686 WeakPolarHBondContact OH-CB 3.33Å; Y477-D686 PolarHBondContact OH-N 3.02Å; Y477-D686 PolarHBondContact OH-OD1 3.42Å; K480-D686 WeakPolarHBondContact CD-OD2 3.13Å; K480-D686 WeakPolarHBondContact CE-OD2 3.45Å; K480-D686 IonicContact NZ-OD2 3.18Å; K480-D686 PolarHBondContact NZ-OD2 3.37Å; A682-D686 WeakPolarHBondContact O-CB 3.45Å; A682-D686 PolarHBondContact O-N 2.84Å; M683-D686 PolarHBondContact O-N 3.42Å; D686-L689 PolarHBondContact O-N 3.28Å; D686-H690 WeakPolarHBondContact O-CA 3.43Å; D686-H690 WeakPolarHBondContact O-CB 3.25Å; D686-H690 PolarHBondContact O-N 3.35Å |
| 687 | N | 54.9 | Low | 49.2 | Very low | 52 Ų | 52 | 60.3 Ų | 60.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.7 | -71.5 | -20.8 | 0 | 0 | 0 | 112.5 | M683 F684 L685 L689 H690 L691 W715 | M683-N687 WeakPolarHBondContact O-CB 3.2Å; M683-N687 VanDerWaalsContact O-CG 3.23Å; M683-N687 PolarHBondContact O-N 3.01Å; M683-N687 PolarHBondContact O-ND2 2.89Å; F684-N687 PolarHBondContact O-N 3.16Å; L685-N687 VanDerWaalsContact C-N 3.34Å; L685-N687 PolarHBondContact O-N 3.3Å; N687-L689 VanDerWaalsContact C-N 3.28Å; N687-L689 PolarHBondContact O-N 3.16Å; N687-H690 PolarHBondContact O-N 2.67Å; N687-L691 WeakPolarHBondContact O-CG 3.41Å; N687-L691 PolarHBondContact O-N 3.11Å; N687-W715 HydrophobicContact CB-CH2 3.67Å; N687-W715 HydrophobicContact CB-CZ2 4.08Å; N687-W715 WeakPolarHBondContact ND2-CH2 3.45Å |
| 688 | L | 57.3 | Low | 48.7 | Very low | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 175.7 | -76.7 | -175.8 | 0 | 0 | 0 | 111.7 | I452 V608 V641 F684 L685 L691 T692 | I452-L688 HydrophobicContact CD1-CD1 4.36Å; V608-L688 HydrophobicContact CG1-CD2 4.18Å; V641-L688 HydrophobicContact CG1-CD2 4.31Å; V641-L688 HydrophobicContact CG2-CD2 4.13Å; F684-L688 HydrophobicContact CD1-CD1 4.15Å; F684-L688 HydrophobicContact CE1-CD1 3.45Å; F684-L688 VanDerWaalsContact CE1-CD1 3.45Å; F684-L688 HydrophobicContact CE1-CG 4.4Å; F684-L688 HydrophobicContact CE2-CD1 3.92Å; F684-L688 HydrophobicContact CE2-CG 4.22Å; F684-L688 HydrophobicContact CZ-CD1 3.33Å; F684-L688 HydrophobicContact CZ-CG 4.12Å; F684-L688 WeakPolarHBondContact O-CG 3.09Å; F684-L688 PolarHBondContact O-N 3.3Å; L685-L688 PolarHBondContact O-N 3.02Å; L688-L691 WeakPolarHBondContact O-CB 3.28Å; L688-T692 PolarHBondContact O-N 2.79Å |
| 689 | L | 62.5 | Low | 48.1 | Very low | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -78.4 | -32.7 | 178.6 | -68.1 | 169.2 | 0 | 0 | 0 | 111.6 | V450 Y477 F485 V487 L685 D686 N687 L691 T692 T693 | V450-L689 HydrophobicContact CB-CD2 4.24Å; V450-L689 HydrophobicContact CG1-CD2 4.09Å; V450-L689 HydrophobicContact CG2-CD2 3.85Å; Y477-L689 HydrophobicContact CD1-CD1 2.98Å; Y477-L689 HydrophobicContact CD1-CG 4.39Å; Y477-L689 HydrophobicContact CD2-CD1 3.94Å; Y477-L689 HydrophobicContact CE1-CD1 3.25Å; Y477-L689 HydrophobicContact CE1-CG 4.49Å; Y477-L689 HydrophobicContact CE2-CD1 4.2Å; Y477-L689 HydrophobicContact CG-CD1 3.32Å; F485-L689 HydrophobicContact CB-CD2 4.34Å; F485-L689 HydrophobicContact CD1-CD2 4.36Å; F485-L689 HydrophobicContact CG-CD2 4.23Å; V487-L689 HydrophobicContact CG2-CD2 4.25Å; L685-L689 VanDerWaalsContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CB 3.25Å; L685-L689 WeakPolarHBondContact O-CD1 3.3Å; L685-L689 WeakPolarHBondContact O-CG 3.41Å; L685-L689 PolarHBondContact O-N 3.34Å; D686-L689 PolarHBondContact O-N 3.28Å; N687-L689 VanDerWaalsContact C-N 3.28Å; N687-L689 PolarHBondContact O-N 3.16Å; L689-L691 VanDerWaalsContact C-N 3.26Å; L689-L691 PolarHBondContact O-N 3.11Å; L689-T692 WeakPolarHBondContact O-CA 3.2Å; L689-T692 WeakPolarHBondContact O-CB 3.22Å; L689-T692 PolarHBondContact O-N 2.92Å; L689-T692 PolarHBondContact O-OG1 2.86Å; L689-T693 PolarHBondContact O-N 2.99Å; L689-T693 PolarHBondContact O-OG1 2.79Å |
| 690 | H | 61.9 | Low | 47.3 | Very low | 90 Ų | 90 | 62.3 Ų | 62.3 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 171.4 | -163.6 | 64.2 | 0 | 0 | 0 | 111.2 | D686 N687 T692 T693 N694 | D686-H690 WeakPolarHBondContact O-CA 3.43Å; D686-H690 WeakPolarHBondContact O-CB 3.25Å; D686-H690 PolarHBondContact O-N 3.35Å; N687-H690 PolarHBondContact O-N 2.67Å; H690-T692 VanDerWaalsContact C-N 3.26Å; H690-T692 PolarHBondContact O-N 3.11Å; H690-T693 WeakPolarHBondContact CA-OG1 3.47Å; H690-T693 PolarHBondContact O-N 2.69Å; H690-T693 PolarHBondContact O-OG1 2.86Å; H690-N694 PolarHBondContact CD2-ND2 2.9Å; H690-N694 VanDerWaalsContact CD2-ND2 3.32Å; H690-N694 PolarHBondContact CE1-ND2 3.05Å; H690-N694 VanDerWaalsContact CE1-ND2 3.32Å; H690-N694 PolarHBondContact NE2-ND2 3.4Å; H690-N694 WeakPolarHBondContact O-CB 3.39Å; H690-N694 PolarHBondContact O-N 2.81Å |
| 691 | L | 51.4 | Low | 46.5 | Very low | 46 Ų | 46 | 69.6 Ų | 69.6 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 170.5 | -72.9 | 177.9 | 0 | 0 | 0 | 112.1 | I639 V641 N687 L688 L689 S711 I713 | I639-L691 HydrophobicContact CD1-CB 4.25Å; I639-L691 WeakPolarHBondContact CD1-O 3.38Å; I639-L691 HydrophobicContact CG2-CB 4.39Å; I639-L691 HydrophobicContact CG2-CD1 4.24Å; V641-L691 HydrophobicContact CG2-CD1 3.67Å; N687-L691 WeakPolarHBondContact O-CG 3.41Å; N687-L691 PolarHBondContact O-N 3.11Å; L688-L691 WeakPolarHBondContact O-CB 3.28Å; L689-L691 VanDerWaalsContact C-N 3.26Å; L689-L691 PolarHBondContact O-N 3.11Å; L691-S711 WeakPolarHBondContact CD1-OG 3.05Å; L691-I713 HydrophobicContact CD1-CD1 3.31Å; L691-I713 HydrophobicContact CD1-CG1 4.18Å; L691-I713 HydrophobicContact CG-CD1 4.17Å |
| 692 | T | 52.2 | Low | 45.3 | Very low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 176.5 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | V450 Y606 V608 I639 L688 L689 H690 T695 | V450-T692 HydrophobicContact CG1-CG2 4Å; Y606-T692 WeakPolarHBondContact CE1-O 3.08Å; Y606-T692 HydrophobicContact CG-CG2 4.36Å; V608-T692 HydrophobicContact CG2-CG2 3.45Å; V608-T692 VanDerWaalsContact CG2-CG2 3.45Å; I639-T692 HydrophobicContact CD1-CG2 4.32Å; L688-T692 PolarHBondContact O-N 2.79Å; L689-T692 WeakPolarHBondContact O-CA 3.2Å; L689-T692 WeakPolarHBondContact O-CB 3.22Å; L689-T692 PolarHBondContact O-N 2.92Å; L689-T692 PolarHBondContact O-OG1 2.86Å; H690-T692 VanDerWaalsContact C-N 3.26Å; H690-T692 PolarHBondContact O-N 3.11Å; T692-T695 PolarHBondContact O-OG1 2.82Å |
| 693 | T | 52.5 | Low | 44 | Very low | 30 Ų | 30 | 78.1 Ų | 78.1 | 18% | 0.184 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -84.4 | -32.1 | -175.5 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | F485 L689 H690 T695 | F485-T693 HydrophobicContact CE1-CG2 3.76Å; F485-T693 HydrophobicContact CE2-CG2 4.37Å; F485-T693 HydrophobicContact CZ-CG2 3.34Å; L689-T693 PolarHBondContact O-N 2.99Å; L689-T693 PolarHBondContact O-OG1 2.79Å; H690-T693 WeakPolarHBondContact CA-OG1 3.47Å; H690-T693 PolarHBondContact O-N 2.69Å; H690-T693 PolarHBondContact O-OG1 2.86Å; T693-T695 PolarHBondContact O-N 2.99Å |
| 694 | N | 45.8 | Very low | 42.5 | Very low | 104 Ų | 104 | 85.9 Ų | 85.9 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -77.3 | 1.8 | 176.5 | -86.5 | -3.1 | 0 | 0 | 0 | 114 | H690 Q696 | H690-N694 PolarHBondContact CD2-ND2 2.9Å; H690-N694 VanDerWaalsContact CD2-ND2 3.32Å; H690-N694 PolarHBondContact CE1-ND2 3.05Å; H690-N694 VanDerWaalsContact CE1-ND2 3.32Å; H690-N694 PolarHBondContact NE2-ND2 3.4Å; H690-N694 WeakPolarHBondContact O-CB 3.39Å; H690-N694 PolarHBondContact O-N 2.81Å; N694-Q696 PolarHBondContact O-N 3Å |
| 695 | T | 41.2 | Very low | 41.2 | Very low | 46 Ų | 46 | 90.3 Ų | 90.3 | 28% | 0.282 | 47% | 0.469 | S | S | . | . | trans | -72.6 | 64.3 | 161.8 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | I639 T692 T693 I697 | I639-T695 HydrophobicContact CD1-CG2 3.95Å; I639-T695 HydrophobicContact CG1-CG2 4.44Å; T692-T695 PolarHBondContact O-OG1 2.82Å; T693-T695 PolarHBondContact O-N 2.99Å; T695-I697 PolarHBondContact O-N 3.24Å | ||
| 696 | Q | 34.6 | Very low | 39.6 | Very low | 180 Ų | 180 | 95.9 Ų | 95.9 | 84% | 0.841 | 51% | 0.509 | S | S | * | . | trans | -59.4 | 98.3 | 156.2 | -76.7 | -163.9 | 15.9 | 0 | 0 | 106.4 | N694 G698 | N694-Q696 PolarHBondContact O-N 3Å; Q696-G698 PolarHBondContact O-N 3.08Å | ||
| 697 | I | 32.5 | Very low | 38.3 | Very low | 139 Ų | 139 | 101.5 Ų | 101.5 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | trans | -63.7 | 74.7 | 161.4 | -61.8 | 162.4 | 0 | 0 | 0 | 105 | T695 K699 | T695-I697 PolarHBondContact O-N 3.24Å; I697-K699 PolarHBondContact O-N 3.14Å | ||
| 698 | G | 26.8 | Very low | 37.3 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 54% | 0.536 | 55% | 0.55 | S | S | . | . | trans | -57.3 | 127.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107 | Q696 D700 | Q696-G698 PolarHBondContact O-N 3.08Å; G698-D700 PolarHBondContact O-N 3.28Å | ||
| 699 | K | 27.5 | Very low | 36.1 | Very low | 196 Ų | 196 | 105.8 Ų | 105.8 | 85% | 0.852 | 57% | 0.567 | S | S | * | * | trans | -66 | 23 | -175.8 | -73.8 | 177.2 | 172.9 | 174.7 | 0 | 114 | I697 Q701 | I697-K699 PolarHBondContact O-N 3.14Å; K699-Q701 PolarHBondContact O-N 3.43Å | ||
| 700 | D | 26.9 | Very low | 34.8 | Very low | 145 Ų | 145 | 108.1 Ų | 108.1 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | trans | -85.5 | 89.3 | -173.4 | -67.3 | -22.1 | 0 | 0 | 0 | 109.7 | G698 T702 | G698-D700 PolarHBondContact O-N 3.28Å; D700-T702 PolarHBondContact O-N 3.01Å | ||
| 701 | Q | 24.8 | Very low | 33.5 | Very low | 190 Ų | 190 | 105.2 Ų | 105.2 | 89% | 0.888 | 57% | 0.569 | S | S | * | * | trans | -59.4 | 74.3 | 164.6 | -64.7 | 178.8 | 2.7 | 0 | 0 | 110.3 | K699 | K699-Q701 PolarHBondContact O-N 3.43Š| ||
| 702 | T | 23.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 106.8 Ų | 106.8 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | trans | -160 | 138.4 | 159.8 | 37.9 | 0 | 0 | 0 | 0 | 111.8 | D700 | D700-T702 PolarHBondContact O-N 3.01Š| ||
| 703 | T | 24.3 | Very low | 31.6 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | trans | 71.2 | 84.3 | 163 | 39 | 0 | 0 | 0 | 0 | 118.3 | T705 | T703-T705 PolarHBondContact O-N 2.88Å; T703-T705 VanDerWaalsContact O-N 3.1Å | ||
| 704 | Y | 21.7 | Very low | 30.8 | Very low | 240 Ų | 240 | 108.2 Ų | 108.2 | 94% | 0.941 | 58% | 0.581 | S | S | * | * | trans | -50.9 | 102.8 | 155 | -68.7 | -94.6 | 0 | 0 | 0 | 111.5 | ||||
| 705 | T | 26.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 104.6 Ų | 104.6 | 74% | 0.736 | 56% | 0.559 | S | S | * | * | trans | -129.3 | 139.1 | 151.3 | 52.5 | 0 | 0 | 0 | 0 | 108.1 | T703 N707 | T703-T705 PolarHBondContact O-N 2.88Å; T703-T705 VanDerWaalsContact O-N 3.1Å; T705-N707 PolarHBondContact O-N 3.47Å | ||
| 706 | S | 25.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 103.2 Ų | 103.2 | 85% | 0.846 | 55% | 0.549 | S | S | * | . | trans | -71 | 44.6 | -162.8 | 45.3 | 0 | 0 | 0 | 0 | 115 | S708 | S706-S708 VanDerWaalsContact C-N 3.27Å; S706-S708 PolarHBondContact O-N 3.23Å | ||
| 707 | N | 29.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 97.1 Ų | 97.1 | 72% | 0.717 | 53% | 0.526 | S | S | * | . | trans | -72 | 88.4 | 168.7 | -88.2 | -6 | 0 | 0 | 0 | 108.8 | T705 N709 | T705-N707 PolarHBondContact O-N 3.47Å; N707-N709 PolarHBondContact O-N 3.45Å | ||
| 708 | S | 33.5 | Very low | 29 | Very low | 74 Ų | 74 | 94.9 Ų | 94.9 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | trans | -48.6 | 123.9 | 155.6 | 50.8 | 0 | 0 | 0 | 0 | 106.9 | S706 N710 | S706-S708 VanDerWaalsContact C-N 3.27Å; S706-S708 PolarHBondContact O-N 3.23Å; S708-N710 PolarHBondContact O-N 3.44Å | ||
| 709 | N | 33.7 | Very low | 29 | Very low | 70 Ų | 70 | 93.8 Ų | 93.8 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | trans | -65.6 | 57.2 | 173.1 | -71.4 | -11.8 | 0 | 0 | 0 | 110.4 | K640 N707 S711 | K640-N709 PolarHBondContact N-O 2.96Å; K640-N709 VanDerWaalsContact N-O 3.12Å; N707-N709 PolarHBondContact O-N 3.45Å; N709-S711 VanDerWaalsContact C-N 3.34Å; N709-S711 PolarHBondContact O-N 3.41Å; N709-S711 VanDerWaalsContact O-N 3.15Å | ||
| 710 | N | 33.9 | Very low | 29.2 | Very low | 54 Ų | 54 | 88.3 Ų | 88.3 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 93.9 | 168.1 | -69.9 | 1.7 | 0 | 0 | 0 | 105 | K640 S708 F712 | K640-N710 WeakPolarHBondContact CB-OD1 3.35Å; K640-N710 WeakPolarHBondContact CD-OD1 3.47Å; K640-N710 CarbonylContact O-C 3.6Å; K640-N710 WeakPolarHBondContact O-CA 3.05Å; S708-N710 PolarHBondContact O-N 3.44Å; N710-F712 PolarHBondContact O-N 3.32Å |
| 711 | S | 34.6 | Very low | 29.2 | Very low | 28 Ų | 28 | 82.2 Ų | 82.2 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 101.1 | 163.8 | 40.8 | 0 | 0 | 0 | 0 | 105.7 | I639 K640 V641 L691 N709 I713 | I639-S711 WeakPolarHBondContact CG2-OG 3.31Å; K640-S711 PolarHBondContact O-N 3.06Å; V641-S711 WeakPolarHBondContact CA-O 3.33Å; L691-S711 WeakPolarHBondContact CD1-OG 3.05Å; N709-S711 VanDerWaalsContact C-N 3.34Å; N709-S711 PolarHBondContact O-N 3.41Å; N709-S711 VanDerWaalsContact O-N 3.15Å; S711-I713 VanDerWaalsContact C-N 3.26Å; S711-I713 PolarHBondContact O-N 2.96Å |
| 712 | F | 31.7 | Very low | 29.6 | Very low | 79 Ų | 79 | 77 Ų | 77 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | trans | -73.1 | 92 | 166.2 | -167.4 | -96.4 | 0 | 0 | 0 | 106.7 | L642 N710 D714 | L642-F712 HydrophobicContact CB-CD2 3.71Å; L642-F712 HydrophobicContact CB-CE2 3.85Å; L642-F712 HydrophobicContact CD1-CD2 3.98Å; L642-F712 HydrophobicContact CD1-CE2 4.49Å; L642-F712 HydrophobicContact CG-CD2 4.47Å; N710-F712 PolarHBondContact O-N 3.32Å; F712-D714 HydrophobicContact CD1-CB 3.83Å; F712-D714 HydrophobicContact CE1-CB 3.5Å; F712-D714 VanDerWaalsContact CE1-CB 3.5Å; F712-D714 PolarHBondContact O-N 2.9Å | ||
| 713 | I | 32 | Very low | 29.9 | Very low | 32 Ų | 32 | 71.5 Ų | 71.5 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | trans | -81.7 | 101.7 | 165.3 | -56.8 | 170.4 | 0 | 0 | 0 | 106 | V641 L691 S711 W715 | V641-I713 HydrophobicContact CG1-CB 4.23Å; V641-I713 HydrophobicContact CG1-CD1 4.03Å; V641-I713 HydrophobicContact CG1-CG1 4.27Å; L691-I713 HydrophobicContact CD1-CD1 3.31Å; L691-I713 HydrophobicContact CD1-CG1 4.18Å; L691-I713 HydrophobicContact CG-CD1 4.17Å; S711-I713 VanDerWaalsContact C-N 3.26Å; S711-I713 PolarHBondContact O-N 2.96Å; I713-W715 HydrophobicContact CD1-CZ2 3.94Å; I713-W715 HydrophobicContact CG2-CD2 3.71Å; I713-W715 HydrophobicContact CG2-CE3 4.5Å; I713-W715 HydrophobicContact CG2-CG 3.85Å; I713-W715 HydrophobicContact CG2-CZ2 3.81Å; I713-W715 PolarHBondContact O-N 3.47Å | ||
| 714 | D | 35.6 | Very low | 30.3 | Very low | 29 Ų | 29 | 67.4 Ų | 67.4 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -73.4 | 81.1 | 171.4 | -158.2 | 14.3 | 0 | 0 | 0 | 109.5 | F712 R716 S717 | F712-D714 HydrophobicContact CD1-CB 3.83Å; F712-D714 HydrophobicContact CE1-CB 3.5Å; F712-D714 VanDerWaalsContact CE1-CB 3.5Å; F712-D714 PolarHBondContact O-N 2.9Å; D714-R716 VanDerWaalsContact CG-NE 3.28Å; D714-R716 VanDerWaalsContact CG-NH2 3.34Å; D714-R716 PolarHBondContact O-N 2.81Å; D714-R716 WeakPolarHBondContact OD1-CB 3.35Å; D714-R716 IonicContact OD1-CZ 3.9Å; D714-R716 IonicContact OD1-NE 3.2Å; D714-R716 PolarHBondContact OD1-NE 3.32Å; D714-R716 IonicContact OD1-NH2 2.68Å; D714-R716 PolarHBondContact OD1-NH2 3.04Å; D714-R716 IonicContact OD2-CZ 2.66Å; D714-R716 IonicContact OD2-NE 3.14Å; D714-R716 PolarHBondContact OD2-NE 2.95Å; D714-R716 VanDerWaalsContact OD2-NE 3.09Å; D714-R716 IonicContact OD2-NH1 3.01Å; D714-R716 IonicContact OD2-NH2 3.09Å; D714-R716 PolarHBondContact OD2-NH2 2.67Å; D714-R716 VanDerWaalsContact OD2-NH2 3.09Å; D714-S717 PolarHBondContact O-N 3.11Å; D714-S717 PolarHBondContact O-OG 3.16Å | ||
| 715 | W | 32.7 | Very low | 31 | Very low | 27 Ų | 27 | 59 Ų | 59 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.3 | -3.9 | 179.6 | -72.1 | 96.8 | 0 | 0 | 0 | 113.9 | F684 N687 I713 S717 F718 I719 | F684-W715 HydrophobicContact CB-CH2 4.2Å; F684-W715 HydrophobicContact CB-CZ3 4.33Å; F684-W715 HydrophobicContact CD2-CD2 4.1Å; F684-W715 AromaticContact CD2-CE2 3.76Å; F684-W715 HydrophobicContact CD2-CE3 4.13Å; F684-W715 AromaticContact CD2-CH2 3.58Å; F684-W715 HydrophobicContact CD2-CH2 3.58Å; F684-W715 AromaticContact CD2-CZ2 3.5Å; F684-W715 HydrophobicContact CD2-CZ2 3.5Å; F684-W715 VanDerWaalsContact CD2-CZ2 3.5Å; F684-W715 AromaticContact CD2-CZ3 3.89Å; F684-W715 HydrophobicContact CD2-CZ3 3.89Å; F684-W715 HydrophobicContact CE2-CD2 4.39Å; F684-W715 AromaticContact CE2-CE2 3.87Å; F684-W715 HydrophobicContact CE2-CH2 4.43Å; F684-W715 AromaticContact CE2-CZ2 3.9Å; F684-W715 HydrophobicContact CE2-CZ2 3.9Å; F684-W715 HydrophobicContact CG-CH2 4.3Å; N687-W715 HydrophobicContact CB-CH2 3.67Å; N687-W715 HydrophobicContact CB-CZ2 4.08Å; N687-W715 WeakPolarHBondContact ND2-CH2 3.45Å; I713-W715 HydrophobicContact CD1-CZ2 3.94Å; I713-W715 HydrophobicContact CG2-CD2 3.71Å; I713-W715 HydrophobicContact CG2-CE3 4.5Å; I713-W715 HydrophobicContact CG2-CG 3.85Å; I713-W715 HydrophobicContact CG2-CZ2 3.81Å; I713-W715 PolarHBondContact O-N 3.47Å; W715-S717 PolarHBondContact O-N 3.13Å; W715-F718 HydrophobicContact CD2-CD2 4.31Å; W715-F718 HydrophobicContact CE3-CB 4.26Å; W715-F718 AromaticContact CE3-CD2 3.31Å; W715-F718 HydrophobicContact CE3-CD2 3.31Å; W715-F718 AromaticContact CE3-CE2 3.88Å; W715-F718 HydrophobicContact CE3-CE2 3.88Å; W715-F718 AromaticContact CE3-CG 3.98Å; W715-F718 HydrophobicContact CE3-CG 3.98Å; W715-F718 AromaticContact CZ3-CD2 3.52Å; W715-F718 HydrophobicContact CZ3-CD2 3.52Å; W715-F718 AromaticContact CZ3-CE2 3.72Å; W715-F718 HydrophobicContact CZ3-CE2 3.72Å; W715-F718 HydrophobicContact CZ3-CG 4.1Å; W715-F718 HydrophobicContact CZ3-CZ 4.45Å; W715-F718 PolarHBondContact O-N 3.13Å; W715-F718 VanDerWaalsContact O-N 3.12Å; W715-I719 WeakPolarHBondContact O-CD1 3.32Å; W715-I719 VanDerWaalsContact O-CG1 3.3Å; W715-I719 WeakPolarHBondContact O-CG1 3.18Å |
| 716 | R | 31.7 | Very low | 31.3 | Very low | 17 Ų | 17 | 54 Ų | 54 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -39.3 | -51.4 | 158.1 | -99.2 | 177.1 | -80.3 | 170.8 | 12.6 | 111.3 | D714 F718 I719 L721 Y723 | D714-R716 VanDerWaalsContact CG-NE 3.28Å; D714-R716 VanDerWaalsContact CG-NH2 3.34Å; D714-R716 PolarHBondContact O-N 2.81Å; D714-R716 WeakPolarHBondContact OD1-CB 3.35Å; D714-R716 IonicContact OD1-CZ 3.9Å; D714-R716 IonicContact OD1-NE 3.2Å; D714-R716 PolarHBondContact OD1-NE 3.32Å; D714-R716 IonicContact OD1-NH2 2.68Å; D714-R716 PolarHBondContact OD1-NH2 3.04Å; D714-R716 IonicContact OD2-CZ 2.66Å; D714-R716 IonicContact OD2-NE 3.14Å; D714-R716 PolarHBondContact OD2-NE 2.95Å; D714-R716 VanDerWaalsContact OD2-NE 3.09Å; D714-R716 IonicContact OD2-NH1 3.01Å; D714-R716 IonicContact OD2-NH2 3.09Å; D714-R716 PolarHBondContact OD2-NH2 2.67Å; D714-R716 VanDerWaalsContact OD2-NH2 3.09Å; R716-F718 PolarHBondContact O-N 3.48Å; R716-I719 CarbonylContact O-C 3.46Å; R716-I719 PolarHBondContact O-N 2.83Å; R716-L721 HydrophobicContact CB-CD1 4.22Å; R716-L721 HydrophobicContact CG-CD1 3.35Å; R716-Y723 WeakPolarHBondContact CA-OH 3.07Å; R716-Y723 HydrophobicContact CB-CE1 3.46Å; R716-Y723 VanDerWaalsContact CB-CE1 3.46Å; R716-Y723 WeakPolarHBondContact CB-OH 3.39Å; R716-Y723 VanDerWaalsContact CD-CE1 3.42Å; R716-Y723 HydrophobicContact CG-CD1 4.13Å; R716-Y723 HydrophobicContact CG-CE1 3.41Å; R716-Y723 VanDerWaalsContact CG-CE1 3.41Å; R716-Y723 PolarHBondContact O-OH 3.19Å |
| 717 | S | 26.7 | Very low | 31.6 | Very low | 52 Ų | 52 | 49.5 Ų | 49.5 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.3 | -9.4 | -174.7 | 46.7 | 0 | 0 | 0 | 0 | 116.2 | D714 W715 Y723 N762 | D714-S717 PolarHBondContact O-N 3.11Å; D714-S717 PolarHBondContact O-OG 3.16Å; W715-S717 PolarHBondContact O-N 3.13Å; S717-Y723 PolarHBondContact N-OH 2.82Å; S717-N762 PolarHBondContact O-ND2 3.1Å |
| 718 | F | 26.6 | Very low | 31.8 | Very low | 92 Ų | 92 | 44.4 Ų | 44.4 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -104.4 | -2.8 | 173.6 | -65.6 | -79.3 | 0 | 0 | 0 | 113.6 | M683 W715 R716 | M683-F718 HydrophobicContact CE-CD1 3.73Å; M683-F718 HydrophobicContact CE-CE1 3.57Å; W715-F718 HydrophobicContact CD2-CD2 4.31Å; W715-F718 HydrophobicContact CE3-CB 4.26Å; W715-F718 AromaticContact CE3-CD2 3.31Å; W715-F718 HydrophobicContact CE3-CD2 3.31Å; W715-F718 AromaticContact CE3-CE2 3.88Å; W715-F718 HydrophobicContact CE3-CE2 3.88Å; W715-F718 AromaticContact CE3-CG 3.98Å; W715-F718 HydrophobicContact CE3-CG 3.98Å; W715-F718 AromaticContact CZ3-CD2 3.52Å; W715-F718 HydrophobicContact CZ3-CD2 3.52Å; W715-F718 AromaticContact CZ3-CE2 3.72Å; W715-F718 HydrophobicContact CZ3-CE2 3.72Å; W715-F718 HydrophobicContact CZ3-CG 4.1Å; W715-F718 HydrophobicContact CZ3-CZ 4.45Å; W715-F718 PolarHBondContact O-N 3.13Å; W715-F718 VanDerWaalsContact O-N 3.12Å; R716-F718 PolarHBondContact O-N 3.48Å |
| 719 | I | 26.2 | Very low | 31.8 | Very low | 30 Ų | 30 | 45 Ų | 45 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -123.6 | 127 | -173.8 | -48.6 | 165.1 | 0 | 0 | 0 | 106.5 | V665 W715 R716 L721 | V665-I719 HydrophobicContact CB-CD1 4Å; V665-I719 HydrophobicContact CG1-CD1 3.77Å; V665-I719 HydrophobicContact CG1-CG2 4.14Å; V665-I719 HydrophobicContact CG2-CD1 4.32Å; W715-I719 WeakPolarHBondContact O-CD1 3.32Å; W715-I719 VanDerWaalsContact O-CG1 3.3Å; W715-I719 WeakPolarHBondContact O-CG1 3.18Å; R716-I719 CarbonylContact O-C 3.46Å; R716-I719 PolarHBondContact O-N 2.83Å; I719-L721 HydrophobicContact CB-CD1 4.16Å; I719-L721 HydrophobicContact CB-CG 4.19Å; I719-L721 HydrophobicContact CD1-CD1 4.38Å; I719-L721 HydrophobicContact CG2-CD1 4.32Å; I719-L721 HydrophobicContact CG2-CG 3.91Å; I719-L721 PolarHBondContact O-N 3.18Å |
| 720 | S | 30.6 | Very low | 31.7 | Very low | 81 Ų | 81 | 44 Ų | 44 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | trans | -68.4 | 71.4 | 166.2 | 63.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 721 | L | 27.2 | Very low | 31.6 | Very low | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | trans | -72.4 | 149.5 | 172.7 | -90 | 156.4 | 0 | 0 | 0 | 108.7 | C646 V665 R716 I719 Y723 | C646-L721 HydrophobicContact CB-CD2 4.4Å; V665-L721 HydrophobicContact CG1-CD2 4.4Å; R716-L721 HydrophobicContact CB-CD1 4.22Å; R716-L721 HydrophobicContact CG-CD1 3.35Å; I719-L721 HydrophobicContact CB-CD1 4.16Å; I719-L721 HydrophobicContact CB-CG 4.19Å; I719-L721 HydrophobicContact CD1-CD1 4.38Å; I719-L721 HydrophobicContact CG2-CD1 4.32Å; I719-L721 HydrophobicContact CG2-CG 3.91Å; I719-L721 PolarHBondContact O-N 3.18Å; L721-Y723 HydrophobicContact CB-CD2 3.99Å; L721-Y723 HydrophobicContact CB-CE2 3.86Å; L721-Y723 HydrophobicContact CB-CG 4.35Å; L721-Y723 WeakPolarHBondContact O-CD2 3.46Å; L721-Y723 PolarHBondContact O-N 3.08Å | ||
| 722 | D | 33.8 | Very low | 31.6 | Very low | 79 Ų | 79 | 46.7 Ų | 46.7 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | trans | -79.2 | 70 | 167.5 | -161.5 | -3.4 | 0 | 0 | 0 | 107.5 | L724 S725 | D722-L724 PolarHBondContact O-N 2.99Å; D722-S725 PolarHBondContact O-N 2.76Å; D722-S725 PolarHBondContact O-OG 3.04Å | ||
| 723 | Y | 30.2 | Very low | 31.6 | Very low | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.8 | -25.7 | -172.1 | -77.5 | -86.9 | 0 | 0 | 0 | 114 | R716 S717 L721 S725 I726 L727 L756 S759 N760 | R716-Y723 WeakPolarHBondContact CA-OH 3.07Å; R716-Y723 HydrophobicContact CB-CE1 3.46Å; R716-Y723 VanDerWaalsContact CB-CE1 3.46Å; R716-Y723 WeakPolarHBondContact CB-OH 3.39Å; R716-Y723 VanDerWaalsContact CD-CE1 3.42Å; R716-Y723 HydrophobicContact CG-CD1 4.13Å; R716-Y723 HydrophobicContact CG-CE1 3.41Å; R716-Y723 VanDerWaalsContact CG-CE1 3.41Å; R716-Y723 PolarHBondContact O-OH 3.19Å; S717-Y723 PolarHBondContact N-OH 2.82Å; L721-Y723 HydrophobicContact CB-CD2 3.99Å; L721-Y723 HydrophobicContact CB-CE2 3.86Å; L721-Y723 HydrophobicContact CB-CG 4.35Å; L721-Y723 WeakPolarHBondContact O-CD2 3.46Å; L721-Y723 PolarHBondContact O-N 3.08Å; Y723-S725 VanDerWaalsContact C-N 3.26Å; Y723-S725 PolarHBondContact O-N 2.96Å; Y723-I726 PolarHBondContact O-N 3.48Å; Y723-L727 PolarHBondContact O-N 3.32Å; Y723-L756 HydrophobicContact CD1-CD2 3.47Å; Y723-L756 VanDerWaalsContact CD1-CD2 3.47Å; Y723-L756 HydrophobicContact CE1-CD2 4.06Å; Y723-L756 HydrophobicContact CG-CD2 4.48Å; Y723-S759 WeakPolarHBondContact CE1-OG 3.18Å; Y723-S759 WeakPolarHBondContact OH-CB 3.14Å; Y723-S759 PolarHBondContact OH-OG 3.3Å; Y723-N760 WeakPolarHBondContact CB-ND2 3.44Å; Y723-N760 WeakPolarHBondContact CD2-OD1 3.49Å |
| 724 | L | 33.2 | Very low | 31.8 | Very low | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 177.5 | -81.3 | 152.4 | 0 | 0 | 0 | 112.8 | D722 I726 L727 T728 V804 F806 | D722-L724 PolarHBondContact O-N 2.99Å; L724-I726 VanDerWaalsContact C-N 3.29Å; L724-I726 PolarHBondContact O-N 3.38Å; L724-L727 PolarHBondContact O-N 2.68Å; L724-T728 PolarHBondContact O-N 3.34Å; L724-T728 PolarHBondContact O-OG1 3.08Å; L724-V804 HydrophobicContact CB-CB 4.05Å; L724-V804 HydrophobicContact CB-CG1 3.75Å; L724-V804 HydrophobicContact CB-CG2 4.04Å; L724-V804 HydrophobicContact CD1-CG1 3.99Å; L724-V804 HydrophobicContact CD2-CG1 3.67Å; L724-V804 HydrophobicContact CD2-CG2 4.38Å; L724-V804 HydrophobicContact CG-CG1 3.97Å; L724-F806 HydrophobicContact CD1-CE1 4.44Å; L724-F806 HydrophobicContact CD1-CE2 4.09Å; L724-F806 HydrophobicContact CD1-CZ 3.68Å |
| 725 | S | 35.3 | Very low | 31.7 | Very low | 65 Ų | 65 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -32 | 173.6 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | D722 Y723 T728 E729 | D722-S725 PolarHBondContact O-N 2.76Å; D722-S725 PolarHBondContact O-OG 3.04Å; Y723-S725 VanDerWaalsContact C-N 3.26Å; Y723-S725 PolarHBondContact O-N 2.96Å; S725-T728 VanDerWaalsContact CA-OG1 3.31Å; S725-T728 WeakPolarHBondContact CA-OG1 3.18Å; S725-T728 PolarHBondContact O-OG1 2.94Å; S725-T728 VanDerWaalsContact O-OG1 3.1Å; S725-E729 PolarHBondContact O-N 3.27Å |
| 726 | I | 32.1 | Very low | 31.9 | Very low | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.5 | -38.4 | 174.8 | -60.7 | 169.6 | 0 | 0 | 0 | 110.6 | Y644 Y723 L724 T728 E729 F730 | Y644-I726 HydrophobicContact CD1-CD1 4.42Å; Y644-I726 HydrophobicContact CE1-CD1 4.19Å; Y723-I726 PolarHBondContact O-N 3.48Å; L724-I726 VanDerWaalsContact C-N 3.29Å; L724-I726 PolarHBondContact O-N 3.38Å; I726-T728 PolarHBondContact O-N 2.67Å; I726-E729 CarbonylContact O-C 3.54Å; I726-E729 PolarHBondContact O-N 3.33Å; I726-E729 VanDerWaalsContact O-N 3.11Å; I726-F730 HydrophobicContact CG2-CD2 4.37Å; I726-F730 WeakPolarHBondContact O-CB 3.16Å; I726-F730 PolarHBondContact O-N 3.31Å |
| 727 | L | 33 | Very low | 32.2 | Very low | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 174.3 | -127.1 | 152.3 | 0 | 0 | 0 | 110.6 | Y723 L724 F730 I731 L753 | Y723-L727 PolarHBondContact O-N 3.32Å; L724-L727 PolarHBondContact O-N 2.68Å; L727-F730 PolarHBondContact O-N 2.66Å; L727-I731 HydrophobicContact CD2-CD1 3.67Å; L727-I731 HydrophobicContact CD2-CG1 4.23Å; L727-I731 VanDerWaalsContact O-CG1 3.24Å; L727-I731 WeakPolarHBondContact O-CG1 3.45Å; L727-I731 PolarHBondContact O-N 2.7Å; L727-L753 HydrophobicContact CD1-CD1 4.37Å; L727-L753 HydrophobicContact CD2-CD1 4.27Å |
| 728 | T | 33.4 | Very low | 32.5 | Very low | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 172 | 11.2 | 0 | 0 | 0 | 0 | 112 | L724 S725 I726 F730 C732 F802 V804 | L724-T728 PolarHBondContact O-N 3.34Å; L724-T728 PolarHBondContact O-OG1 3.08Å; S725-T728 VanDerWaalsContact CA-OG1 3.31Å; S725-T728 WeakPolarHBondContact CA-OG1 3.18Å; S725-T728 PolarHBondContact O-OG1 2.94Å; S725-T728 VanDerWaalsContact O-OG1 3.1Å; I726-T728 PolarHBondContact O-N 2.67Å; T728-F730 VanDerWaalsContact C-N 3.31Å; T728-F730 PolarHBondContact O-N 2.85Å; T728-C732 WeakPolarHBondContact O-CB 3.33Å; T728-C732 PolarHBondContact O-N 3.19Å; T728-C732 VanDerWaalsContact O-N 3.17Å; T728-C732 PolarHBondContact O-SG 3.14Å; T728-F802 HydrophobicContact CG2-CB 3.42Å; T728-F802 VanDerWaalsContact CG2-CB 3.42Å; T728-F802 HydrophobicContact CG2-CG 4.4Å; T728-V804 HydrophobicContact CG2-CG2 3.64Å |
| 729 | E | 33.2 | Very low | 32.9 | Very low | 86 Ų | 86 | 58.7 Ų | 58.7 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 174.7 | -116.1 | -176.7 | 176.3 | 0 | 0 | 112.3 | S725 I726 C732 | S725-E729 PolarHBondContact O-N 3.27Å; I726-E729 CarbonylContact O-C 3.54Å; I726-E729 PolarHBondContact O-N 3.33Å; I726-E729 VanDerWaalsContact O-N 3.11Å; E729-C732 PolarHBondContact O-N 2.71Å |
| 730 | F | 31.5 | Very low | 33.3 | Very low | 50 Ų | 50 | 63.2 Ų | 63.2 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71 | -43 | 179.3 | -121 | -93.9 | 0 | 0 | 0 | 112.5 | I726 L727 T728 C732 L733 L741 L752 | I726-F730 HydrophobicContact CG2-CD2 4.37Å; I726-F730 WeakPolarHBondContact O-CB 3.16Å; I726-F730 PolarHBondContact O-N 3.31Å; L727-F730 PolarHBondContact O-N 2.66Å; T728-F730 VanDerWaalsContact C-N 3.31Å; T728-F730 PolarHBondContact O-N 2.85Å; F730-C732 PolarHBondContact O-N 2.78Å; F730-L733 HydrophobicContact CB-CD1 4.36Å; F730-L733 HydrophobicContact CD1-CD1 3.66Å; F730-L733 HydrophobicContact CD2-CD1 4.32Å; F730-L733 HydrophobicContact CE1-CD1 3.96Å; F730-L733 HydrophobicContact CG-CD1 3.86Å; F730-L733 HydrophobicContact CZ-CD1 4.4Å; F730-L733 WeakPolarHBondContact O-CB 3.31Å; F730-L733 VanDerWaalsContact O-CD1 3.29Å; F730-L733 WeakPolarHBondContact O-CD1 3.2Å; F730-L733 VanDerWaalsContact O-CG 3.31Å; F730-L733 WeakPolarHBondContact O-CG 3.47Å; F730-L733 PolarHBondContact O-N 3.35Å; F730-L741 HydrophobicContact CE1-CD1 3.69Å; F730-L741 HydrophobicContact CZ-CD1 4.33Å; F730-L752 HydrophobicContact CE1-CD2 3.78Å; F730-L752 HydrophobicContact CE2-CD2 4.07Å; F730-L752 HydrophobicContact CZ-CD2 3.48Å; F730-L752 VanDerWaalsContact CZ-CD2 3.48Å |
| 731 | I | 32.2 | Very low | 33.3 | Very low | 69 Ų | 69 | 60 Ų | 60 | 35% | 0.354 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66 | -25.4 | 176 | -66 | 165.7 | 0 | 0 | 0 | 111 | L727 L733 R830 | L727-I731 HydrophobicContact CD2-CD1 3.67Å; L727-I731 HydrophobicContact CD2-CG1 4.23Å; L727-I731 VanDerWaalsContact O-CG1 3.24Å; L727-I731 WeakPolarHBondContact O-CG1 3.45Å; L727-I731 PolarHBondContact O-N 2.7Å; I731-L733 VanDerWaalsContact C-N 3.29Å; I731-L733 PolarHBondContact O-N 3.46Å; I731-R830 HydrophobicContact CG2-CB 4.31Å |
| 732 | C | 34.4 | Very low | 33.6 | Very low | 68 Ų | 68 | 63.6 Ų | 63.6 | 46% | 0.459 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.3 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 114.6 | T728 E729 F730 S734 F802 | T728-C732 WeakPolarHBondContact O-CB 3.33Å; T728-C732 PolarHBondContact O-N 3.19Å; T728-C732 VanDerWaalsContact O-N 3.17Å; T728-C732 PolarHBondContact O-SG 3.14Å; E729-C732 PolarHBondContact O-N 2.71Å; F730-C732 PolarHBondContact O-N 2.78Å; C732-S734 PolarHBondContact O-N 3.43Å; C732-F802 WeakPolarHBondContact SG-CD2 3.47Å; C732-F802 VanDerWaalsContact SG-CE2 3.56Å |
| 733 | L | 32.2 | Very low | 33.5 | Very low | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -63 | 136.8 | 177.2 | -69.5 | 161.3 | 0 | 0 | 0 | 110.3 | I616 F730 I731 F737 L741 | I616-L733 HydrophobicContact CD1-CD2 4.17Å; F730-L733 HydrophobicContact CB-CD1 4.36Å; F730-L733 HydrophobicContact CD1-CD1 3.66Å; F730-L733 HydrophobicContact CD2-CD1 4.32Å; F730-L733 HydrophobicContact CE1-CD1 3.96Å; F730-L733 HydrophobicContact CG-CD1 3.86Å; F730-L733 HydrophobicContact CZ-CD1 4.4Å; F730-L733 WeakPolarHBondContact O-CB 3.31Å; F730-L733 VanDerWaalsContact O-CD1 3.29Å; F730-L733 WeakPolarHBondContact O-CD1 3.2Å; F730-L733 VanDerWaalsContact O-CG 3.31Å; F730-L733 WeakPolarHBondContact O-CG 3.47Å; F730-L733 PolarHBondContact O-N 3.35Å; I731-L733 VanDerWaalsContact C-N 3.29Å; I731-L733 PolarHBondContact O-N 3.46Å; L733-F737 HydrophobicContact CB-CB 4.38Å; L733-F737 HydrophobicContact CB-CD1 4.01Å; L733-F737 HydrophobicContact CD1-CD1 3.59Å; L733-F737 HydrophobicContact CD1-CE1 3.66Å; L733-F737 HydrophobicContact CD2-CD1 3.77Å; L733-F737 HydrophobicContact CD2-CE1 4.04Å; L733-F737 HydrophobicContact CD2-CG 4.3Å; L733-F737 HydrophobicContact CG-CD1 3.98Å; L733-F737 HydrophobicContact CG-CE1 4.38Å; L733-L741 HydrophobicContact CD1-CD1 4.36Å |
| 734 | S | 35.3 | Very low | 33.7 | Very low | 78 Ų | 78 | 69.3 Ų | 69.3 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | trans | -59.8 | 152.6 | 179.9 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | C732 N736 F737 M738 | C732-S734 PolarHBondContact O-N 3.43Å; S734-N736 VanDerWaalsContact C-N 3.25Å; S734-N736 PolarHBondContact O-N 2.77Å; S734-N736 VanDerWaalsContact O-N 3.1Å; S734-F737 PolarHBondContact O-N 3.38Å; S734-M738 PolarHBondContact O-N 2.8Å | ||
| 735 | E | 33.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 75.2 Ų | 75.2 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -40.2 | -50.4 | 176.7 | -75.4 | 177.5 | 158.9 | 0 | 0 | 113.1 | F737 M738 D739 | E735-F737 PolarHBondContact O-N 2.87Å; E735-M738 PolarHBondContact O-N 2.95Å; E735-D739 PolarHBondContact O-N 3.09Å |
| 736 | N | 37.4 | Very low | 33.5 | Very low | 127 Ų | 127 | 80.5 Ų | 80.5 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.9 | -21.3 | -178.5 | -72.8 | -17 | 0 | 0 | 0 | 114.9 | S734 K740 | S734-N736 VanDerWaalsContact C-N 3.25Å; S734-N736 PolarHBondContact O-N 2.77Å; S734-N736 VanDerWaalsContact O-N 3.1Å; N736-K740 WeakPolarHBondContact O-CB 3.16Å; N736-K740 WeakPolarHBondContact O-CG 3.35Å; N736-K740 PolarHBondContact O-N 3.44Å |
| 737 | F | 38.1 | Very low | 33.4 | Very low | 80 Ų | 80 | 83 Ų | 83 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -95.7 | -37.3 | -178.6 | -167 | -93.2 | 0 | 0 | 0 | 112.4 | L733 S734 E735 D739 K740 L741 | L733-F737 HydrophobicContact CB-CB 4.38Å; L733-F737 HydrophobicContact CB-CD1 4.01Å; L733-F737 HydrophobicContact CD1-CD1 3.59Å; L733-F737 HydrophobicContact CD1-CE1 3.66Å; L733-F737 HydrophobicContact CD2-CD1 3.77Å; L733-F737 HydrophobicContact CD2-CE1 4.04Å; L733-F737 HydrophobicContact CD2-CG 4.3Å; L733-F737 HydrophobicContact CG-CD1 3.98Å; L733-F737 HydrophobicContact CG-CE1 4.38Å; S734-F737 PolarHBondContact O-N 3.38Å; E735-F737 PolarHBondContact O-N 2.87Å; F737-D739 VanDerWaalsContact C-N 3.33Å; F737-K740 PolarHBondContact O-N 2.9Å; F737-L741 HydrophobicContact CD1-CD1 3.57Å; F737-L741 HydrophobicContact CD1-CG 3.91Å; F737-L741 HydrophobicContact CE1-CD1 3.26Å; F737-L741 HydrophobicContact CE1-CD2 4.26Å; F737-L741 HydrophobicContact CE1-CG 3.58Å; F737-L741 HydrophobicContact CZ-CD1 4.24Å; F737-L741 HydrophobicContact CZ-CG 4.17Å; F737-L741 WeakPolarHBondContact O-CB 3.47Å; F737-L741 PolarHBondContact O-N 2.86Å |
| 738 | M | 32.1 | Very low | 33.4 | Very low | 50 Ų | 50 | 89 Ų | 89 | 25% | 0.246 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 171 | -80.8 | -69.6 | -83.9 | 0 | 0 | 110.2 | S734 E735 K740 L741 I742 F749 | S734-M738 PolarHBondContact O-N 2.8Å; E735-M738 PolarHBondContact O-N 2.95Å; M738-K740 VanDerWaalsContact C-N 3.33Å; M738-K740 PolarHBondContact O-N 3.45Å; M738-L741 PolarHBondContact O-N 2.73Å; M738-I742 HydrophobicContact CB-CD1 4.43Å; M738-I742 HydrophobicContact CE-CD1 4.31Å; M738-I742 VanDerWaalsContact O-CB 3.31Å; M738-I742 WeakPolarHBondContact O-CB 2.96Å; M738-I742 WeakPolarHBondContact O-CD1 3.31Å; M738-I742 WeakPolarHBondContact O-CG1 3.15Å; M738-I742 PolarHBondContact O-N 2.78Å; M738-F749 HydrophobicContact CE-CE2 3.78Å; M738-F749 HydrophobicContact CE-CZ 3.78Å; M738-F749 HydrophobicContact SD-CE2 3.96Å |
| 739 | D | 35.4 | Very low | 33.2 | Very low | 99 Ų | 99 | 91.3 Ų | 91.3 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.3 | -77.7 | -19.5 | 0 | 0 | 0 | 110.9 | E735 F737 L741 I742 T743 | E735-D739 PolarHBondContact O-N 3.09Å; F737-D739 VanDerWaalsContact C-N 3.33Å; D739-L741 PolarHBondContact O-N 3.45Å; D739-I742 PolarHBondContact O-N 3.13Å; D739-T743 VanDerWaalsContact O-CB 3.26Å; D739-T743 WeakPolarHBondContact O-CB 3.41Å; D739-T743 WeakPolarHBondContact O-CG2 3.33Å; D739-T743 PolarHBondContact O-N 3.04Å; D739-T743 PolarHBondContact O-OG1 3.28Å |
| 740 | K | 34.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.548 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.3 | -88.8 | -177.4 | 175.3 | -178.3 | 0 | 113.9 | N736 F737 M738 E744 | N736-K740 WeakPolarHBondContact O-CB 3.16Å; N736-K740 WeakPolarHBondContact O-CG 3.35Å; N736-K740 PolarHBondContact O-N 3.44Å; F737-K740 PolarHBondContact O-N 2.9Å; M738-K740 VanDerWaalsContact C-N 3.33Å; M738-K740 PolarHBondContact O-N 3.45Å; K740-E744 WeakPolarHBondContact O-CB 3.26Å; K740-E744 WeakPolarHBondContact O-CG 3.19Å; K740-E744 PolarHBondContact O-N 2.68Å |
| 741 | L | 31 | Very low | 33 | Very low | 12 Ų | 12 | 89.4 Ų | 89.4 | 6% | 0.063 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.9 | -35.2 | 177.7 | -87.5 | 175.1 | 0 | 0 | 0 | 112.5 | F730 L733 F737 M738 D739 F747 | F730-L741 HydrophobicContact CE1-CD1 3.69Å; F730-L741 HydrophobicContact CZ-CD1 4.33Å; L733-L741 HydrophobicContact CD1-CD1 4.36Å; F737-L741 HydrophobicContact CD1-CD1 3.57Å; F737-L741 HydrophobicContact CD1-CG 3.91Å; F737-L741 HydrophobicContact CE1-CD1 3.26Å; F737-L741 HydrophobicContact CE1-CD2 4.26Å; F737-L741 HydrophobicContact CE1-CG 3.58Å; F737-L741 HydrophobicContact CZ-CD1 4.24Å; F737-L741 HydrophobicContact CZ-CG 4.17Å; F737-L741 WeakPolarHBondContact O-CB 3.47Å; F737-L741 PolarHBondContact O-N 2.86Å; M738-L741 PolarHBondContact O-N 2.73Å; D739-L741 PolarHBondContact O-N 3.45Å; L741-F747 HydrophobicContact CD2-CB 3.87Å; L741-F747 HydrophobicContact CD2-CD1 4.12Å; L741-F747 HydrophobicContact CD2-CD2 3.56Å; L741-F747 HydrophobicContact CD2-CE2 4.11Å; L741-F747 HydrophobicContact CD2-CG 3.57Å |
| 742 | I | 32.5 | Very low | 33 | Very low | 94 Ų | 94 | 87.2 Ų | 87.2 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -79.8 | -37.5 | 180 | -65.2 | 165.5 | 0 | 0 | 0 | 110.5 | M738 D739 | M738-I742 HydrophobicContact CB-CD1 4.43Å; M738-I742 HydrophobicContact CE-CD1 4.31Å; M738-I742 VanDerWaalsContact O-CB 3.31Å; M738-I742 WeakPolarHBondContact O-CB 2.96Å; M738-I742 WeakPolarHBondContact O-CD1 3.31Å; M738-I742 WeakPolarHBondContact O-CG1 3.15Å; M738-I742 PolarHBondContact O-N 2.78Å; D739-I742 PolarHBondContact O-N 3.13Å |
| 743 | T | 32.8 | Very low | 33 | Very low | 100 Ų | 100 | 86 Ų | 86 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -87.6 | -26.4 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 114 | D739 D745 | D739-T743 VanDerWaalsContact O-CB 3.26Å; D739-T743 WeakPolarHBondContact O-CB 3.41Å; D739-T743 WeakPolarHBondContact O-CG2 3.33Å; D739-T743 PolarHBondContact O-N 3.04Å; D739-T743 PolarHBondContact O-OG1 3.28Å; T743-D745 PolarHBondContact O-N 3.17Å |
| 744 | E | 34.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 85.6 Ų | 85.6 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -82.4 | 103.4 | 167.9 | -66.5 | -172.7 | -165.9 | 0 | 0 | 108 | K740 K746 F747 | K740-E744 WeakPolarHBondContact O-CB 3.26Å; K740-E744 WeakPolarHBondContact O-CG 3.19Å; K740-E744 PolarHBondContact O-N 2.68Å; E744-K746 PolarHBondContact O-N 2.97Å; E744-F747 PolarHBondContact O-N 2.78Å |
| 745 | D | 31 | Very low | 32.6 | Very low | 161 Ų | 161 | 84.1 Ų | 84.1 | 86% | 0.861 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | 2.7 | 175 | -64.3 | -38.6 | 0 | 0 | 0 | 116.3 | T743 | T743-D745 PolarHBondContact O-N 3.17Š|
| 746 | K | 33.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 78.5 Ų | 78.5 | 76% | 0.761 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -18 | 179.5 | -67.1 | -178 | 179.7 | 172.2 | 0 | 113.7 | E744 | E744-K746 PolarHBondContact O-N 2.97Š|
| 747 | F | 29.9 | Very low | 32.1 | Very low | 67 Ų | 67 | 72.8 Ų | 72.8 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | trans | -116.2 | 104.4 | 174.4 | -91.5 | -94.4 | 0 | 0 | 0 | 110 | L741 E744 F749 L752 | L741-F747 HydrophobicContact CD2-CB 3.87Å; L741-F747 HydrophobicContact CD2-CD1 4.12Å; L741-F747 HydrophobicContact CD2-CD2 3.56Å; L741-F747 HydrophobicContact CD2-CE2 4.11Å; L741-F747 HydrophobicContact CD2-CG 3.57Å; E744-F747 PolarHBondContact O-N 2.78Å; F747-F749 PolarHBondContact O-N 2.85Å; F747-L752 HydrophobicContact CD1-CD2 4.42Å; F747-L752 HydrophobicContact CE1-CD1 4.1Å; F747-L752 HydrophobicContact CE1-CD2 4.28Å | ||
| 748 | Q | 33.4 | Very low | 31.7 | Very low | 153 Ų | 153 | 71 Ų | 71 | 72% | 0.715 | 37% | 0.365 | S | S | * | . | trans | -62.2 | 85 | 153.9 | -70.8 | 178.5 | -12.5 | 0 | 0 | 106.6 | V750 G751 L752 | Q748-V750 PolarHBondContact O-N 3.22Å; Q748-V750 VanDerWaalsContact O-N 3.17Å; Q748-G751 CarbonylContact O-C 3.54Å; Q748-G751 VanDerWaalsContact O-CA 3.28Å; Q748-G751 WeakPolarHBondContact O-CA 3.14Å; Q748-G751 PolarHBondContact O-N 2.88Å; Q748-L752 PolarHBondContact O-N 3.42Å | ||
| 749 | F | 30.3 | Very low | 31.5 | Very low | 75 Ų | 75 | 69.2 Ų | 69.2 | 33% | 0.329 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -52.1 | -35.7 | 179.1 | 176.6 | -99.2 | 0 | 0 | 0 | 111.1 | M738 F747 L752 L753 | M738-F749 HydrophobicContact CE-CE2 3.78Å; M738-F749 HydrophobicContact CE-CZ 3.78Å; M738-F749 HydrophobicContact SD-CE2 3.96Å; F747-F749 PolarHBondContact O-N 2.85Å; F749-L752 PolarHBondContact O-N 3.37Å; F749-L753 WeakPolarHBondContact O-CB 3.4Å; F749-L753 PolarHBondContact O-N 2.89Å |
| 750 | V | 30.4 | Very low | 31.2 | Very low | 79 Ų | 79 | 68 Ų | 68 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 111 | Q748 L752 L753 T754 | Q748-V750 PolarHBondContact O-N 3.22Å; Q748-V750 VanDerWaalsContact O-N 3.17Å; V750-L752 VanDerWaalsContact C-N 3.33Å; V750-L752 PolarHBondContact O-N 2.79Å; V750-L753 PolarHBondContact O-N 3.47Å; V750-T754 WeakPolarHBondContact O-CA 3.32Å; V750-T754 WeakPolarHBondContact O-CB 3.43Å; V750-T754 PolarHBondContact O-N 3.49Å; V750-T754 PolarHBondContact O-OG1 3.15Å |
| 751 | G | 29.6 | Very low | 30.7 | Very low | 18 Ų | 18 | 62.9 Ų | 62.9 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q748 A755 | Q748-G751 CarbonylContact O-C 3.54Å; Q748-G751 VanDerWaalsContact O-CA 3.28Å; Q748-G751 WeakPolarHBondContact O-CA 3.14Å; Q748-G751 PolarHBondContact O-N 2.88Å; G751-A755 WeakPolarHBondContact O-CA 3.29Å; G751-A755 WeakPolarHBondContact O-CB 3.36Å; G751-A755 PolarHBondContact O-N 2.84Å |
| 752 | L | 31.5 | Very low | 30.3 | Very low | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -44.6 | 176 | -165.9 | 82.8 | 0 | 0 | 0 | 111.7 | F730 F747 Q748 F749 V750 A755 L756 | F730-L752 HydrophobicContact CE1-CD2 3.78Å; F730-L752 HydrophobicContact CE2-CD2 4.07Å; F730-L752 HydrophobicContact CZ-CD2 3.48Å; F730-L752 VanDerWaalsContact CZ-CD2 3.48Å; F747-L752 HydrophobicContact CD1-CD2 4.42Å; F747-L752 HydrophobicContact CE1-CD1 4.1Å; F747-L752 HydrophobicContact CE1-CD2 4.28Å; Q748-L752 PolarHBondContact O-N 3.42Å; F749-L752 PolarHBondContact O-N 3.37Å; V750-L752 VanDerWaalsContact C-N 3.33Å; V750-L752 PolarHBondContact O-N 2.79Å; L752-A755 PolarHBondContact O-N 3.26Å; L752-L756 HydrophobicContact CD2-CD1 4.3Å; L752-L756 HydrophobicContact CG-CD1 4.11Å; L752-L756 WeakPolarHBondContact O-CB 3.33Å; L752-L756 WeakPolarHBondContact O-CD1 3.45Å; L752-L756 WeakPolarHBondContact O-CG 3.37Å; L752-L756 PolarHBondContact O-N 3.36Å |
| 753 | L | 35 | Very low | 29.9 | Very low | 44 Ų | 44 | 66.3 Ų | 66.3 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.7 | -174.1 | 66.3 | 0 | 0 | 0 | 110.7 | L727 F749 V750 L756 I757 | L727-L753 HydrophobicContact CD1-CD1 4.37Å; L727-L753 HydrophobicContact CD2-CD1 4.27Å; F749-L753 WeakPolarHBondContact O-CB 3.4Å; F749-L753 PolarHBondContact O-N 2.89Å; V750-L753 PolarHBondContact O-N 3.47Å; L753-L756 WeakPolarHBondContact O-CB 3.26Å; L753-L756 PolarHBondContact O-N 3.44Å; L753-I757 HydrophobicContact CD1-CD1 4.09Å; L753-I757 HydrophobicContact CD2-CD1 4.45Å; L753-I757 HydrophobicContact CG-CD1 3.76Å; L753-I757 VanDerWaalsContact O-CB 3.25Å; L753-I757 WeakPolarHBondContact O-CB 3.47Å; L753-I757 WeakPolarHBondContact O-CD1 3.17Å; L753-I757 WeakPolarHBondContact O-CG1 3.49Å; L753-I757 PolarHBondContact O-N 3.22Å |
| 754 | T | 30.1 | Very low | 29.5 | Very low | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 111 | V750 I757 L758 | V750-T754 WeakPolarHBondContact O-CA 3.32Å; V750-T754 WeakPolarHBondContact O-CB 3.43Å; V750-T754 PolarHBondContact O-N 3.49Å; V750-T754 PolarHBondContact O-OG1 3.15Å; T754-I757 PolarHBondContact O-N 3.12Å; T754-L758 HydrophobicContact CG2-CD1 3.5Å; T754-L758 HydrophobicContact CG2-CG 3.92Å; T754-L758 WeakPolarHBondContact O-CA 3.28Å; T754-L758 WeakPolarHBondContact O-CB 3.26Å; T754-L758 WeakPolarHBondContact O-CG 3.35Å; T754-L758 PolarHBondContact O-N 3.38Å |
| 755 | A | 29 | Very low | 29 | Very low | 46 Ų | 46 | 67.9 Ų | 67.9 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G751 L752 I757 S759 | G751-A755 WeakPolarHBondContact O-CA 3.29Å; G751-A755 WeakPolarHBondContact O-CB 3.36Å; G751-A755 PolarHBondContact O-N 2.84Å; L752-A755 PolarHBondContact O-N 3.26Å; A755-I757 VanDerWaalsContact C-N 3.29Å; A755-I757 PolarHBondContact O-N 2.54Å; A755-S759 WeakPolarHBondContact O-CB 3.29Å; A755-S759 PolarHBondContact O-N 3.38Å; A755-S759 PolarHBondContact O-OG 2.61Å |
| 756 | L | 30.4 | Very low | 28.5 | Very low | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 172.1 | -82.3 | 161 | 0 | 0 | 0 | 111 | Y723 L752 L753 S759 N760 | Y723-L756 HydrophobicContact CD1-CD2 3.47Å; Y723-L756 VanDerWaalsContact CD1-CD2 3.47Å; Y723-L756 HydrophobicContact CE1-CD2 4.06Å; Y723-L756 HydrophobicContact CG-CD2 4.48Å; L752-L756 HydrophobicContact CD2-CD1 4.3Å; L752-L756 HydrophobicContact CG-CD1 4.11Å; L752-L756 WeakPolarHBondContact O-CB 3.33Å; L752-L756 WeakPolarHBondContact O-CD1 3.45Å; L752-L756 WeakPolarHBondContact O-CG 3.37Å; L752-L756 PolarHBondContact O-N 3.36Å; L753-L756 WeakPolarHBondContact O-CB 3.26Å; L753-L756 PolarHBondContact O-N 3.44Å; L756-S759 PolarHBondContact O-OG 2.98Å; L756-S759 VanDerWaalsContact O-OG 3.08Å; L756-N760 PolarHBondContact O-N 3.12Å; L756-N760 PolarHBondContact O-ND2 3.46Å |
| 757 | I | 30.4 | Very low | 27.9 | Very low | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.6 | -46.6 | -179.6 | -67.2 | 168.7 | 0 | 0 | 0 | 110.7 | L753 T754 A755 S759 N760 C761 F878 L969 V971 | L753-I757 HydrophobicContact CD1-CD1 4.09Å; L753-I757 HydrophobicContact CD2-CD1 4.45Å; L753-I757 HydrophobicContact CG-CD1 3.76Å; L753-I757 VanDerWaalsContact O-CB 3.25Å; L753-I757 WeakPolarHBondContact O-CB 3.47Å; L753-I757 WeakPolarHBondContact O-CD1 3.17Å; L753-I757 WeakPolarHBondContact O-CG1 3.49Å; L753-I757 PolarHBondContact O-N 3.22Å; T754-I757 PolarHBondContact O-N 3.12Å; A755-I757 VanDerWaalsContact C-N 3.29Å; A755-I757 PolarHBondContact O-N 2.54Å; I757-S759 VanDerWaalsContact C-N 3.26Å; I757-S759 PolarHBondContact O-N 2.91Å; I757-N760 CarbonylContact O-C 3.29Å; I757-N760 WeakPolarHBondContact O-CA 3.43Å; I757-N760 VanDerWaalsContact O-CB 3.28Å; I757-N760 WeakPolarHBondContact O-CB 3.03Å; I757-N760 PolarHBondContact O-N 2.92Å; I757-C761 PolarHBondContact O-N 2.88Å; I757-C761 PolarHBondContact O-SG 3.38Å; I757-F878 HydrophobicContact CG2-CD1 4.37Å; I757-F878 HydrophobicContact CG2-CE1 3.2Å; I757-F878 HydrophobicContact CG2-CE2 4.43Å; I757-F878 HydrophobicContact CG2-CZ 3.26Å; I757-L969 HydrophobicContact CD1-CD2 3.81Å; I757-V971 HydrophobicContact CG2-CB 4.14Å; I757-V971 HydrophobicContact CG2-CG1 3.95Å; I757-V971 HydrophobicContact CG2-CG2 3.82Å |
| 758 | L | 28.8 | Very low | 27.5 | Very low | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -29.1 | 176.8 | -74 | 170.6 | 0 | 0 | 0 | 112.4 | T754 C761 V971 S972 R973 | T754-L758 HydrophobicContact CG2-CD1 3.5Å; T754-L758 HydrophobicContact CG2-CG 3.92Å; T754-L758 WeakPolarHBondContact O-CA 3.28Å; T754-L758 WeakPolarHBondContact O-CB 3.26Å; T754-L758 WeakPolarHBondContact O-CG 3.35Å; T754-L758 PolarHBondContact O-N 3.38Å; L758-C761 CarbonylContact O-C 3.58Å; L758-C761 WeakPolarHBondContact O-CA 3.48Å; L758-C761 VanDerWaalsContact O-CB 3.22Å; L758-C761 WeakPolarHBondContact O-CB 3.15Å; L758-C761 PolarHBondContact O-N 3.09Å; L758-C761 VanDerWaalsContact O-N 3.08Å; L758-V971 HydrophobicContact CD2-CG1 3.34Å; L758-V971 HydrophobicContact CG-CG1 3.66Å; L758-S972 WeakPolarHBondContact CD2-O 3.26Å; L758-R973 HydrophobicContact CD2-CG 3.78Å |
| 759 | S | 29.2 | Very low | 27 | Very low | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.3 | -27.2 | 171.9 | 67 | 0 | 0 | 0 | 0 | 112.7 | Y723 A755 L756 I757 C761 N762 | Y723-S759 WeakPolarHBondContact CE1-OG 3.18Å; Y723-S759 WeakPolarHBondContact OH-CB 3.14Å; Y723-S759 PolarHBondContact OH-OG 3.3Å; A755-S759 WeakPolarHBondContact O-CB 3.29Å; A755-S759 PolarHBondContact O-N 3.38Å; A755-S759 PolarHBondContact O-OG 2.61Å; L756-S759 PolarHBondContact O-OG 2.98Å; L756-S759 VanDerWaalsContact O-OG 3.08Å; I757-S759 VanDerWaalsContact C-N 3.26Å; I757-S759 PolarHBondContact O-N 2.91Å; S759-C761 PolarHBondContact O-N 2.96Å; S759-N762 WeakPolarHBondContact O-CB 3.26Å; S759-N762 PolarHBondContact O-N 3.48Å |
| 760 | N | 27.5 | Very low | 26.6 | Very low | 75 Ų | 75 | 63.7 Ų | 63.7 | 40% | 0.401 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.1 | -20.6 | 163.7 | -73.3 | -57 | 0 | 0 | 0 | 111.9 | Y723 L756 I757 N762 | Y723-N760 WeakPolarHBondContact CB-ND2 3.44Å; Y723-N760 WeakPolarHBondContact CD2-OD1 3.49Å; L756-N760 PolarHBondContact O-N 3.12Å; L756-N760 PolarHBondContact O-ND2 3.46Å; I757-N760 CarbonylContact O-C 3.29Å; I757-N760 WeakPolarHBondContact O-CA 3.43Å; I757-N760 VanDerWaalsContact O-CB 3.28Å; I757-N760 WeakPolarHBondContact O-CB 3.03Å; I757-N760 PolarHBondContact O-N 2.92Å; N760-N762 PolarHBondContact O-N 2.79Å |
| 761 | C | 24.6 | Very low | 26.2 | Very low | 18 Ų | 18 | 69 Ų | 69 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 9.1 | 171.2 | -47.5 | 0 | 0 | 0 | 0 | 114 | I757 L758 S759 V763 F878 R973 | I757-C761 PolarHBondContact O-N 2.88Å; I757-C761 PolarHBondContact O-SG 3.38Å; L758-C761 CarbonylContact O-C 3.58Å; L758-C761 WeakPolarHBondContact O-CA 3.48Å; L758-C761 VanDerWaalsContact O-CB 3.22Å; L758-C761 WeakPolarHBondContact O-CB 3.15Å; L758-C761 PolarHBondContact O-N 3.09Å; L758-C761 VanDerWaalsContact O-N 3.08Å; S759-C761 PolarHBondContact O-N 2.96Å; C761-V763 PolarHBondContact O-N 2.62Å; C761-F878 WeakPolarHBondContact SG-CD1 3.4Å; C761-F878 WeakPolarHBondContact SG-CE1 3.3Å; C761-R973 HydrophobicContact CB-CG 4.15Å; C761-R973 PolarHBondContact O-NH1 3.45Å |
| 762 | N | 22.2 | Very low | 25.8 | Very low | 71 Ų | 71 | 71.6 Ų | 71.6 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | trans | -65.9 | 76.1 | 163.9 | -81.7 | -13.4 | 0 | 0 | 0 | 109.2 | S717 S759 N760 V764 R973 | S717-N762 PolarHBondContact O-ND2 3.1Å; S759-N762 WeakPolarHBondContact O-CB 3.26Å; S759-N762 PolarHBondContact O-N 3.48Å; N760-N762 PolarHBondContact O-N 2.79Å; N762-V764 PolarHBondContact O-N 3.38Å; N762-V764 VanDerWaalsContact O-N 3.17Å; N762-R973 VanDerWaalsContact CA-NH1 3.25Å; N762-R973 VanDerWaalsContact OD1-CZ 3.24Å; N762-R973 PolarHBondContact OD1-NH1 2.69Å; N762-R973 PolarHBondContact OD1-NH2 3.27Å | ||
| 763 | V | 25.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 74.5 Ų | 74.5 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | trans | -61 | 112.2 | 143.8 | 179.9 | 0 | 0 | 0 | 0 | 104.7 | C761 S765 | C761-V763 PolarHBondContact O-N 2.62Å; V763-S765 PolarHBondContact O-N 3.48Å | ||
| 764 | V | 23.8 | Very low | 24.6 | Very low | 114 Ų | 114 | 79.1 Ų | 79.1 | 69% | 0.691 | 48% | 0.476 | S | S | * | . | trans | -25.2 | 95 | 164.2 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | N762 G766 | N762-V764 PolarHBondContact O-N 3.38Å; N762-V764 VanDerWaalsContact O-N 3.17Å; V764-G766 PolarHBondContact O-N 3.22Å | ||
| 765 | S | 22.7 | Very low | 24.1 | Very low | 120 Ų | 120 | 85.6 Ų | 85.6 | 84% | 0.839 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 29.4 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.2 | V763 | V763-S765 PolarHBondContact O-N 3.48Š|
| 766 | G | 20.5 | Very low | 23.6 | Very low | 66 Ų | 66 | 90.9 Ų | 90.9 | 68% | 0.68 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 12 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V764 | V764-G766 PolarHBondContact O-N 3.22Š|
| 767 | C | 21.1 | Very low | 23.1 | Very low | 87 Ų | 87 | 98.5 Ų | 98.5 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | trans | -117.6 | 67 | 175.2 | -125.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 768 | T | 21.9 | Very low | 22.6 | Very low | 118 Ų | 118 | 100 Ų | 100 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | trans | -78.6 | -3.3 | 170.2 | 39.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 769 | D | 22.1 | Very low | 22.2 | Very low | 138 Ų | 138 | 108.6 Ų | 108.6 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | trans | -128.5 | 64.8 | -175 | -60 | -38.3 | 0 | 0 | 0 | 112.4 | ||||
| 770 | L | 22.8 | Very low | 21.8 | Very low | 134 Ų | 134 | 110.2 Ų | 110.2 | 70% | 0.702 | 61% | 0.607 | S | S | * | * | trans | -153.7 | 69.2 | 162.3 | -100 | 124.9 | 0 | 0 | 0 | 110.8 | S772 | L770-S772 PolarHBondContact O-N 3.27Š| ||
| 771 | H | 21.6 | Very low | 21.5 | Very low | 190 Ų | 190 | 109.1 Ų | 109.1 | 88% | 0.88 | 60% | 0.604 | S | S | * | * | trans | -74.5 | 88.5 | 153.8 | -80.4 | -83.5 | 0 | 0 | 0 | 108.5 | ||||
| 772 | S | 20.7 | Very low | 21.3 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | trans | -166.2 | 108.6 | 156.5 | 39.6 | 0 | 0 | 0 | 0 | 111.6 | L770 | L770-S772 PolarHBondContact O-N 3.27Š| ||
| 773 | T | 21.1 | Very low | 21.2 | Very low | 83 Ų | 83 | 115.6 Ų | 115.6 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 58 | 115.4 | 149.9 | 59.4 | 0 | 0 | 0 | 0 | 119.3 | V23 | V23-T773 WeakPolarHBondContact CG2-OG1 3.38Š|
| 774 | N | 20.2 | Very low | 20.9 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | trans | 76.6 | 70.7 | 155.7 | -57.5 | -18.5 | 0 | 0 | 0 | 116.2 | E776 | N774-E776 PolarHBondContact O-N 3.24Š| ||
| 775 | R | 19.6 | Very low | 20.7 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 58% | 0.577 | 66% | 0.66 | S | S | * | * | trans | -39.1 | 114.7 | 135 | -64.3 | 177.1 | 175.7 | -176.7 | -1.7 | 109.6 | ||||
| 776 | E | 19.7 | Very low | 20.6 | Very low | 157 Ų | 157 | 119 Ų | 119 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | trans | -135.6 | 75.5 | 135.3 | -76.9 | -170.1 | 170.2 | 0 | 0 | 107.4 | N774 F778 | N774-E776 PolarHBondContact O-N 3.24Å; E776-F778 HydrophobicContact CB-CB 4.45Å; E776-F778 HydrophobicContact CB-CD2 3.83Å; E776-F778 HydrophobicContact CG-CD2 3.87Å; E776-F778 PolarHBondContact O-N 3.4Å | ||
| 777 | L | 19.3 | Very low | 20.6 | Very low | 163 Ų | 163 | 124.4 Ų | 124.4 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | trans | -71.9 | 58.4 | 156.9 | -83.1 | 155.4 | 0 | 0 | 0 | 107.7 | ||||
| 778 | F | 19.2 | Very low | 20.7 | Very low | 38 Ų | 38 | 126.9 Ų | 126.9 | 17% | 0.167 | 67% | 0.673 | C | S | . | * | trans | -119 | 94.8 | 178.6 | -75 | -77.7 | 0 | 0 | 0 | 107.8 | E776 V780 S840 E843 V844 | E776-F778 HydrophobicContact CB-CB 4.45Å; E776-F778 HydrophobicContact CB-CD2 3.83Å; E776-F778 HydrophobicContact CG-CD2 3.87Å; E776-F778 PolarHBondContact O-N 3.4Å; F778-V780 HydrophobicContact CB-CG2 4.42Å; F778-V780 HydrophobicContact CD1-CG2 4.13Å; F778-V780 PolarHBondContact O-N 3.2Å; F778-S840 VanDerWaalsContact CZ-CB 3.43Å; F778-E843 HydrophobicContact CD1-CB 4.33Å; F778-E843 HydrophobicContact CE1-CB 3.34Å; F778-E843 HydrophobicContact CE1-CG 4.36Å; F778-E843 HydrophobicContact CE2-CB 4.11Å; F778-E843 HydrophobicContact CE2-CG 4.34Å; F778-E843 WeakPolarHBondContact CE2-OE2 3.15Å; F778-E843 HydrophobicContact CZ-CB 3.23Å; F778-E843 HydrophobicContact CZ-CG 3.75Å; F778-E843 WeakPolarHBondContact CZ-OE2 3.39Å; F778-V844 HydrophobicContact CD1-CG1 3.26Å; F778-V844 HydrophobicContact CE1-CB 4.27Å; F778-V844 HydrophobicContact CE1-CG1 3.35Å; F778-V844 HydrophobicContact CE1-CG2 4.38Å | ||
| 779 | F | 21.5 | Very low | 20.7 | Very low | 222 Ų | 222 | 127 Ų | 127 | 97% | 0.974 | 68% | 0.675 | S | S | * | * | trans | -87.3 | 69.1 | 152 | -82.3 | -79.3 | 0 | 0 | 0 | 107.8 | ||||
| 780 | V | 19.9 | Very low | 20.7 | Very low | 47 Ų | 47 | 129.5 Ų | 129.5 | 29% | 0.285 | 68% | 0.683 | S | S | . | * | trans | -78.6 | 137 | 149.8 | 174.1 | 0 | 0 | 0 | 0 | 106.4 | F778 S782 V844 D847 | F778-V780 HydrophobicContact CB-CG2 4.42Å; F778-V780 HydrophobicContact CD1-CG2 4.13Å; F778-V780 PolarHBondContact O-N 3.2Å; V780-S782 PolarHBondContact O-N 3.43Å; V780-V844 HydrophobicContact CG2-CG1 3.41Å; V780-V844 VanDerWaalsContact CG2-CG1 3.41Å; V780-D847 VanDerWaalsContact CG1-OD2 3.26Å; V780-D847 WeakPolarHBondContact CG1-OD2 3.41Å | ||
| 781 | P | 21.6 | Very low | 20.6 | Very low | 52 Ų | 52 | 128.1 Ų | 128.1 | 34% | 0.338 | 68% | 0.684 | S | S | . | * | trans | -74.5 | 114.8 | -171.9 | 3.1 | 12.8 | 0 | 0 | 0 | 110.9 | Q808 | P781-Q808 HydrophobicContact CB-CB 3.59Å; P781-Q808 HydrophobicContact CB-CG 3.47Å; P781-Q808 VanDerWaalsContact CB-CG 3.47Å; P781-Q808 VanDerWaalsContact CB-NE2 3.28Å; P781-Q808 HydrophobicContact CG-CB 3.9Å; P781-Q808 HydrophobicContact CG-CG 4.3Å | ||
| 782 | S | 19.8 | Very low | 20.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | trans | -78.7 | 130.7 | 174 | 43 | 0 | 0 | 0 | 0 | 111 | V780 I784 Q808 | V780-S782 PolarHBondContact O-N 3.43Å; S782-I784 PolarHBondContact O-N 2.71Å; S782-Q808 PolarHBondContact O-NE2 3.1Å | ||
| 783 | T | 19.7 | Very low | 20.6 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -50.1 | 113.5 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 784 | I | 20.1 | Very low | 20.5 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 66% | 0.662 | 71% | 0.711 | S | S | * | * | trans | -132.1 | 105.6 | 154.5 | -59.6 | 178.8 | 0 | 0 | 0 | 107.4 | S782 C786 | S782-I784 PolarHBondContact O-N 2.71Å; I784-C786 PolarHBondContact O-N 3.46Å | ||
| 785 | N | 19.1 | Very low | 20.6 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -57.1 | 104.7 | 165.3 | -71.5 | -24 | 0 | 0 | 0 | 108.3 | ||||
| 786 | C | 21.4 | Very low | 20.7 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -109.1 | 104 | 171.8 | -139.3 | 0 | 0 | 0 | 0 | 108.6 | I784 | I784-C786 PolarHBondContact O-N 3.46Š| ||
| 787 | E | 20.6 | Very low | 20.8 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -60.4 | 146.9 | 166.5 | -65.4 | 172.9 | 151.6 | 0 | 0 | 109.9 | ||||
| 788 | D | 21.9 | Very low | 21 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 91.5 | 84.4 | 174.8 | -63.8 | -26.5 | 0 | 0 | 0 | 119.3 | Q790 | D788-Q790 PolarHBondContact O-N 2.8Š| ||
| 789 | P | 22.7 | Very low | 21 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 3.9 | 170.1 | -13.8 | 28.9 | 0 | 0 | 0 | 115.6 | ||
| 790 | Q | 22.4 | Very low | 21 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 2.9 | -168.1 | -70.8 | -166.4 | -0 | 0 | 0 | 116.1 | D788 Y792 | D788-Q790 PolarHBondContact O-N 2.8Å; Q790-Y792 PolarHBondContact O-N 3.16Å |
| 791 | S | 20.7 | Very low | 21 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -94.8 | 47.4 | 173.4 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | C793 | S791-C793 PolarHBondContact O-N 2.73Š| ||
| 792 | Y | 20.5 | Very low | 21 | Very low | 207 Ų | 207 | 140 Ų | 140 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -82 | 104.5 | 166.8 | -103.6 | -88.5 | 0 | 0 | 0 | 110.3 | Q790 K794 | Q790-Y792 PolarHBondContact O-N 3.16Å; Y792-K794 PolarHBondContact O-N 3.23Å | ||
| 793 | C | 21.8 | Very low | 21 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -57.3 | 122.9 | 173.2 | -79.1 | 0 | 0 | 0 | 0 | 111.1 | S791 C795 | S791-C793 PolarHBondContact O-N 2.73Å; C793-C795 VanDerWaalsContact C-N 3.25Å; C793-C795 PolarHBondContact O-N 3.14Å | ||
| 794 | K | 19.4 | Very low | 21.2 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -62.2 | 80.3 | 166.8 | -69.4 | 176.2 | 177.1 | 174.6 | 0 | 110.3 | Y792 | Y792-K794 PolarHBondContact O-N 3.23Š| ||
| 795 | C | 20.7 | Very low | 21.4 | Very low | 118 Ų | 118 | 141 Ų | 141 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -86.1 | 141.3 | 172.1 | -86.4 | 0 | 0 | 0 | 0 | 111.5 | C793 | C793-C795 VanDerWaalsContact C-N 3.25Å; C793-C795 PolarHBondContact O-N 3.14Å | ||
| 796 | K | 22.2 | Very low | 21.9 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.896 | 73% | 0.727 | S | S | * | * | trans | -63 | 141.8 | -169.1 | -74.6 | 173.3 | 173.3 | 175 | 0 | 113.2 | N798 | K796-N798 VanDerWaalsContact C-N 3.33Å; K796-N798 PolarHBondContact O-N 3.4Å | ||
| 797 | K | 22.3 | Very low | 22.3 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -63.4 | 9.2 | -168.6 | -74.1 | -175.3 | 169.5 | -174.8 | 0 | 119.7 | ||
| 798 | N | 22.7 | Very low | 23.5 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -128.3 | 34.5 | -159.2 | -72.5 | 11.2 | 0 | 0 | 0 | 117.6 | K796 | K796-N798 VanDerWaalsContact C-N 3.33Å; K796-N798 PolarHBondContact O-N 3.4Å | ||
| 799 | S | 20.7 | Very low | 24.7 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | -154.5 | 122.9 | 161.2 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | C801 | S799-C801 VanDerWaalsContact C-N 3.27Å; S799-C801 PolarHBondContact O-N 3.47Å | ||
| 800 | S | 20 | Very low | 26.1 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | trans | -59 | 84.9 | 168.7 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 801 | C | 19.7 | Very low | 27.4 | Very low | 86 Ų | 86 | 119 Ų | 119 | 58% | 0.581 | 61% | 0.607 | S | S | * | * | trans | -105.5 | 97.1 | 172.4 | -156.5 | 0 | 0 | 0 | 0 | 105.8 | S799 Y803 | S799-C801 VanDerWaalsContact C-N 3.27Å; S799-C801 PolarHBondContact O-N 3.47Å; C801-Y803 PolarHBondContact O-N 3.43Å | ||
| 802 | F | 21.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 35% | 0.351 | 58% | 0.579 | S | S | . | * | trans | -71.8 | 124.9 | 167.2 | -81.3 | -84.4 | 0 | 0 | 0 | 107.7 | T728 C732 V804 Y827 | T728-F802 HydrophobicContact CG2-CB 3.42Å; T728-F802 VanDerWaalsContact CG2-CB 3.42Å; T728-F802 HydrophobicContact CG2-CG 4.4Å; C732-F802 WeakPolarHBondContact SG-CD2 3.47Å; C732-F802 VanDerWaalsContact SG-CE2 3.56Å; F802-V804 PolarHBondContact O-N 3.05Å; F802-Y827 HydrophobicContact CE2-CD1 4.06Å; F802-Y827 AromaticContact CZ-CD1 3.93Å; F802-Y827 HydrophobicContact CZ-CD1 3.93Å | ||
| 803 | Y | 21.4 | Very low | 30 | Very low | 190 Ų | 190 | 105.7 Ų | 105.7 | 75% | 0.745 | 54% | 0.542 | S | S | * | . | trans | -79.7 | 107.2 | 174.8 | -75.8 | -98.5 | 0 | 0 | 0 | 107.7 | C801 Q805 | C801-Y803 PolarHBondContact O-N 3.43Å; Y803-Q805 VanDerWaalsContact C-N 3.32Å; Y803-Q805 PolarHBondContact O-N 3.36Å | ||
| 804 | V | 24.1 | Very low | 31.3 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | trans | -82.9 | 95.8 | 148.3 | -172.2 | 0 | 0 | 0 | 0 | 105.5 | L724 T728 F802 | L724-V804 HydrophobicContact CB-CB 4.05Å; L724-V804 HydrophobicContact CB-CG1 3.75Å; L724-V804 HydrophobicContact CB-CG2 4.04Å; L724-V804 HydrophobicContact CD1-CG1 3.99Å; L724-V804 HydrophobicContact CD2-CG1 3.67Å; L724-V804 HydrophobicContact CD2-CG2 4.38Å; L724-V804 HydrophobicContact CG-CG1 3.97Å; T728-V804 HydrophobicContact CG2-CG2 3.64Å; F802-V804 PolarHBondContact O-N 3.05Å | ||
| 805 | Q | 23.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | trans | -103.8 | 137.8 | 166.6 | -168.3 | 172.3 | 13.3 | 0 | 0 | 104.3 | Y803 V807 | Y803-Q805 VanDerWaalsContact C-N 3.32Å; Y803-Q805 PolarHBondContact O-N 3.36Å; Q805-V807 HydrophobicContact CB-CG2 3.46Å; Q805-V807 VanDerWaalsContact CB-CG2 3.46Å; Q805-V807 HydrophobicContact CG-CG2 3.85Å; Q805-V807 WeakPolarHBondContact O-CG2 3.47Å; Q805-V807 PolarHBondContact O-N 3.21Å | ||
| 806 | F | 28.8 | Very low | 33.8 | Very low | 148 Ų | 148 | 93.9 Ų | 93.9 | 65% | 0.649 | 48% | 0.476 | S | S | * | . | trans | -70 | 79.5 | 164 | -72.4 | -93.2 | 0 | 0 | 0 | 105.3 | L724 H835 | L724-F806 HydrophobicContact CD1-CE1 4.44Å; L724-F806 HydrophobicContact CD1-CE2 4.09Å; L724-F806 HydrophobicContact CD1-CZ 3.68Å; F806-H835 AromaticContact CE1-CE1 3.61Å; F806-H835 AromaticContact CE1-NE2 3.98Å | ||
| 807 | V | 31.3 | Very low | 34.9 | Very low | 43 Ų | 43 | 88.2 Ų | 88.2 | 26% | 0.261 | 46% | 0.455 | S | S | . | . | trans | -80.7 | 139.2 | -178 | -176 | 0 | 0 | 0 | 0 | 106 | Q805 L809 E811 V812 | Q805-V807 HydrophobicContact CB-CG2 3.46Å; Q805-V807 VanDerWaalsContact CB-CG2 3.46Å; Q805-V807 HydrophobicContact CG-CG2 3.85Å; Q805-V807 WeakPolarHBondContact O-CG2 3.47Å; Q805-V807 PolarHBondContact O-N 3.21Å; V807-L809 PolarHBondContact O-N 3.06Å; V807-E811 HydrophobicContact CG1-CB 3.19Å; V807-E811 HydrophobicContact CG1-CG 4.36Å; V807-E811 WeakPolarHBondContact CG1-OE2 3.42Å; V807-V812 HydrophobicContact CB-CG2 3.54Å; V807-V812 HydrophobicContact CG1-CB 4.42Å; V807-V812 HydrophobicContact CG1-CG2 3.53Å; V807-V812 HydrophobicContact CG2-CG2 4.43Å | ||
| 808 | Q | 44.4 | Very low | 35.8 | Very low | 67 Ų | 67 | 82.8 Ų | 82.8 | 31% | 0.313 | 44% | 0.442 | S | S | . | . | trans | -54.7 | 136.8 | 170.2 | -51.8 | -162 | -30.6 | 0 | 0 | 107.4 | P781 S782 D810 E811 V812 | P781-Q808 HydrophobicContact CB-CB 3.59Å; P781-Q808 HydrophobicContact CB-CG 3.47Å; P781-Q808 VanDerWaalsContact CB-CG 3.47Å; P781-Q808 VanDerWaalsContact CB-NE2 3.28Å; P781-Q808 HydrophobicContact CG-CB 3.9Å; P781-Q808 HydrophobicContact CG-CG 4.3Å; S782-Q808 PolarHBondContact O-NE2 3.1Å; Q808-D810 PolarHBondContact O-N 3.39Å; Q808-E811 HydrophobicContact CB-CB 4.08Å; Q808-E811 HydrophobicContact CB-CG 4.04Å; Q808-E811 HydrophobicContact CG-CG 4.28Å; Q808-E811 PolarHBondContact N-OE2 3.33Å; Q808-E811 CarbonylContact O-C 3.52Å; Q808-E811 WeakPolarHBondContact O-CA 3.44Å; Q808-E811 WeakPolarHBondContact O-CB 3.11Å; Q808-E811 PolarHBondContact O-N 3.31Å; Q808-V812 PolarHBondContact O-N 2.85Å | ||
| 809 | L | 47.9 | Very low | 36.4 | Very low | 28 Ų | 28 | 79.6 Ų | 79.6 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.3 | -32.2 | -176.9 | -170.6 | 54.5 | 0 | 0 | 0 | 111 | V807 V812 I813 L832 I834 | V807-L809 PolarHBondContact O-N 3.06Å; L809-V812 WeakPolarHBondContact O-CB 3.04Å; L809-V812 PolarHBondContact O-N 3.12Å; L809-I813 HydrophobicContact CG-CD1 4.41Å; L809-I813 VanDerWaalsContact O-CD1 3.32Å; L809-I813 WeakPolarHBondContact O-CD1 3.42Å; L809-I813 WeakPolarHBondContact O-CG1 3.37Å; L809-I813 PolarHBondContact O-N 3.39Å; L809-L832 HydrophobicContact CD1-CD2 4.27Å; L809-I834 HydrophobicContact CD1-CD1 3.91Å; L809-I834 HydrophobicContact CD1-CG1 4.23Å; L809-I834 HydrophobicContact CD2-CD1 3.95Å |
| 810 | D | 52.1 | Low | 37 | Very low | 61 Ų | 61 | 78.2 Ų | 78.2 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 168.5 | -71.4 | -45.8 | 0 | 0 | 0 | 113.9 | Q808 V812 I813 E814 K854 | Q808-D810 PolarHBondContact O-N 3.39Å; D810-V812 VanDerWaalsContact C-N 3.34Å; D810-I813 WeakPolarHBondContact O-CB 3.47Å; D810-I813 PolarHBondContact O-N 3.25Å; D810-E814 WeakPolarHBondContact O-CB 3.02Å; D810-E814 WeakPolarHBondContact O-CG 3.4Å; D810-E814 PolarHBondContact O-N 3.15Å; D810-K854 IonicContact OD1-NZ 2.95Å; D810-K854 PolarHBondContact OD1-NZ 3.06Å |
| 811 | E | 48.6 | Very low | 37.6 | Very low | 101 Ų | 101 | 78.6 Ų | 78.6 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.7 | -31.2 | 173.6 | -80.3 | 179.2 | 166.1 | 0 | 0 | 112.1 | V807 Q808 S815 | V807-E811 HydrophobicContact CG1-CB 3.19Å; V807-E811 HydrophobicContact CG1-CG 4.36Å; V807-E811 WeakPolarHBondContact CG1-OE2 3.42Å; Q808-E811 HydrophobicContact CB-CB 4.08Å; Q808-E811 HydrophobicContact CB-CG 4.04Å; Q808-E811 HydrophobicContact CG-CG 4.28Å; Q808-E811 PolarHBondContact N-OE2 3.33Å; Q808-E811 CarbonylContact O-C 3.52Å; Q808-E811 WeakPolarHBondContact O-CA 3.44Å; Q808-E811 WeakPolarHBondContact O-CB 3.11Å; Q808-E811 PolarHBondContact O-N 3.31Å; E811-S815 WeakPolarHBondContact O-CB 3.06Å; E811-S815 PolarHBondContact O-N 3.08Å |
| 812 | V | 48 | Very low | 38.2 | Very low | 26 Ų | 26 | 80.3 Ų | 80.3 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | V807 Q808 L809 D810 E814 S815 V816 L832 | V807-V812 HydrophobicContact CB-CG2 3.54Å; V807-V812 HydrophobicContact CG1-CB 4.42Å; V807-V812 HydrophobicContact CG1-CG2 3.53Å; V807-V812 HydrophobicContact CG2-CG2 4.43Å; Q808-V812 PolarHBondContact O-N 2.85Å; L809-V812 WeakPolarHBondContact O-CB 3.04Å; L809-V812 PolarHBondContact O-N 3.12Å; D810-V812 VanDerWaalsContact C-N 3.34Å; V812-E814 VanDerWaalsContact C-N 3.35Å; V812-E814 PolarHBondContact O-N 2.58Å; V812-S815 WeakPolarHBondContact O-CB 3.2Å; V812-S815 PolarHBondContact O-N 3.18Å; V812-V816 HydrophobicContact CG1-CG2 4.18Å; V812-V816 WeakPolarHBondContact O-CB 3.3Å; V812-V816 WeakPolarHBondContact O-CG2 3.02Å; V812-V816 PolarHBondContact O-N 2.76Å; V812-L832 HydrophobicContact CG1-CD1 3.96Å; V812-L832 HydrophobicContact CG1-CD2 4.26Å |
| 813 | I | 49.5 | Very low | 38.5 | Very low | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 176.1 | -68.9 | 158.3 | 0 | 0 | 0 | 109.9 | L809 D810 V816 L817 S851 K854 L855 | L809-I813 HydrophobicContact CG-CD1 4.41Å; L809-I813 VanDerWaalsContact O-CD1 3.32Å; L809-I813 WeakPolarHBondContact O-CD1 3.42Å; L809-I813 WeakPolarHBondContact O-CG1 3.37Å; L809-I813 PolarHBondContact O-N 3.39Å; D810-I813 WeakPolarHBondContact O-CB 3.47Å; D810-I813 PolarHBondContact O-N 3.25Å; I813-V816 PolarHBondContact O-N 3.43Å; I813-L817 HydrophobicContact CG2-CD1 3.47Å; I813-L817 VanDerWaalsContact CG2-CD1 3.47Å; I813-L817 HydrophobicContact CG2-CG 4.17Å; I813-L817 WeakPolarHBondContact O-CB 3.28Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 3Å; I813-S851 VanDerWaalsContact CD1-O 3.31Å; I813-S851 WeakPolarHBondContact CD1-O 3.4Å; I813-K854 HydrophobicContact CD1-CB 3.87Å; I813-K854 HydrophobicContact CD1-CD 4.33Å; I813-K854 HydrophobicContact CG2-CB 4.43Å; I813-L855 HydrophobicContact CD1-CB 4.31Å; I813-L855 HydrophobicContact CG1-CB 3.9Å; I813-L855 HydrophobicContact CG1-CD1 3.82Å; I813-L855 HydrophobicContact CG1-CG 4.45Å |
| 814 | E | 48.1 | Very low | 39 | Very low | 110 Ų | 110 | 75.9 Ų | 75.9 | 51% | 0.514 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175 | -78.4 | -64.8 | 156.1 | 0 | 0 | 111.9 | D810 V812 V816 L817 C818 | D810-E814 WeakPolarHBondContact O-CB 3.02Å; D810-E814 WeakPolarHBondContact O-CG 3.4Å; D810-E814 PolarHBondContact O-N 3.15Å; V812-E814 VanDerWaalsContact C-N 3.35Å; V812-E814 PolarHBondContact O-N 2.58Å; E814-V816 VanDerWaalsContact C-N 3.31Å; E814-V816 PolarHBondContact O-N 3.08Å; E814-L817 PolarHBondContact O-N 3.02Å; E814-C818 WeakPolarHBondContact O-CA 3.02Å; E814-C818 WeakPolarHBondContact O-CB 3.46Å; E814-C818 PolarHBondContact O-N 2.81Å; E814-C818 PolarHBondContact OE2-SG 2.76Å |
| 815 | S | 47.2 | Very low | 39.5 | Very low | 52 Ų | 52 | 78.6 Ų | 78.6 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | E811 V812 Q819 | E811-S815 WeakPolarHBondContact O-CB 3.06Å; E811-S815 PolarHBondContact O-N 3.08Å; V812-S815 WeakPolarHBondContact O-CB 3.2Å; V812-S815 PolarHBondContact O-N 3.18Å; S815-Q819 VanDerWaalsContact O-CB 3.27Å; S815-Q819 WeakPolarHBondContact O-CB 3.35Å; S815-Q819 VanDerWaalsContact O-CD 3.31Å; S815-Q819 WeakPolarHBondContact O-CG 3.45Å; S815-Q819 PolarHBondContact O-N 3.1Å; S815-Q819 PolarHBondContact OG-NE2 2.74Å |
| 816 | V | 46.2 | Very low | 39.9 | Very low | 31 Ų | 31 | 75.8 Ų | 75.8 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.5 | -36 | -180 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V812 I813 E814 F859 F864 | V812-V816 HydrophobicContact CG1-CG2 4.18Å; V812-V816 WeakPolarHBondContact O-CB 3.3Å; V812-V816 WeakPolarHBondContact O-CG2 3.02Å; V812-V816 PolarHBondContact O-N 2.76Å; I813-V816 PolarHBondContact O-N 3.43Å; E814-V816 VanDerWaalsContact C-N 3.31Å; E814-V816 PolarHBondContact O-N 3.08Å; V816-F859 HydrophobicContact CG1-CZ 4.37Å; V816-F864 HydrophobicContact CG1-CE2 4.44Å; V816-F864 HydrophobicContact CG1-CZ 3.94Å |
| 817 | L | 44.6 | Very low | 40.2 | Very low | 87 Ų | 87 | 74 Ų | 74 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -79.2 | -42.2 | -180 | -75 | 174 | 0 | 0 | 0 | 113.4 | I813 E814 A858 | I813-L817 HydrophobicContact CG2-CD1 3.47Å; I813-L817 VanDerWaalsContact CG2-CD1 3.47Å; I813-L817 HydrophobicContact CG2-CG 4.17Å; I813-L817 WeakPolarHBondContact O-CB 3.28Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 3Å; E814-L817 PolarHBondContact O-N 3.02Å; L817-A858 HydrophobicContact CD1-CB 4.48Å; L817-A858 HydrophobicContact CD2-CB 3.37Å; L817-A858 HydrophobicContact CG-CB 3.85Å |
| 818 | C | 42.3 | Very low | 40.5 | Very low | 94 Ų | 94 | 73.3 Ų | 73.3 | 64% | 0.635 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -84.3 | -15.3 | -174.3 | -77.4 | 0 | 0 | 0 | 0 | 113.4 | E814 S820 | E814-C818 WeakPolarHBondContact O-CA 3.02Å; E814-C818 WeakPolarHBondContact O-CB 3.46Å; E814-C818 PolarHBondContact O-N 2.81Å; E814-C818 PolarHBondContact OE2-SG 2.76Å; C818-S820 PolarHBondContact O-N 3.31Å; C818-S820 VanDerWaalsContact O-N 3.09Å |
| 819 | Q | 35.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 73.7 Ų | 73.7 | 41% | 0.407 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -79.6 | 98.9 | 177.1 | -74.5 | 178.4 | 12.7 | 0 | 0 | 110.6 | S815 F823 | S815-Q819 VanDerWaalsContact O-CB 3.27Å; S815-Q819 WeakPolarHBondContact O-CB 3.35Å; S815-Q819 VanDerWaalsContact O-CD 3.31Å; S815-Q819 WeakPolarHBondContact O-CG 3.45Å; S815-Q819 PolarHBondContact O-N 3.1Å; S815-Q819 PolarHBondContact OG-NE2 2.74Å; Q819-F823 HydrophobicContact CB-CD2 4.26Å; Q819-F823 HydrophobicContact CB-CE2 3.88Å; Q819-F823 HydrophobicContact CG-CE2 3.73Å; Q819-F823 HydrophobicContact CG-CZ 4.49Å |
| 820 | S | 32.4 | Very low | 40 | Very low | 72 Ų | 72 | 77 Ų | 77 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -41.8 | 141.6 | 161.9 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | C818 T822 | C818-S820 PolarHBondContact O-N 3.31Å; C818-S820 VanDerWaalsContact O-N 3.09Å; S820-T822 PolarHBondContact O-N 2.83Å; S820-T822 PolarHBondContact OG-OG1 3.04Å | ||
| 821 | P | 31.7 | Very low | 39.7 | Very low | 93 Ų | 93 | 76.7 Ų | 76.7 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -66.1 | 16.9 | -170.2 | 25.3 | -34.1 | 0 | 0 | 0 | 115.8 | F823 | P821-F823 PolarHBondContact O-N 3.17Š|
| 822 | T | 32.8 | Very low | 40.1 | Very low | 121 Ų | 121 | 73.8 Ų | 73.8 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | trans | -79.8 | 11.3 | 177.3 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | S820 S824 | S820-T822 PolarHBondContact O-N 2.83Å; S820-T822 PolarHBondContact OG-OG1 3.04Å; T822-S824 PolarHBondContact O-N 2.98Å | ||
| 823 | F | 28.3 | Very low | 40.4 | Very low | 104 Ų | 104 | 75.9 Ų | 75.9 | 46% | 0.456 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -67.1 | 118.2 | 163.2 | -83.1 | -86.1 | 0 | 0 | 0 | 108.7 | Q819 P821 T825 | Q819-F823 HydrophobicContact CB-CD2 4.26Å; Q819-F823 HydrophobicContact CB-CE2 3.88Å; Q819-F823 HydrophobicContact CG-CE2 3.73Å; Q819-F823 HydrophobicContact CG-CZ 4.49Å; P821-F823 PolarHBondContact O-N 3.17Å; F823-T825 PolarHBondContact O-N 3.47Å |
| 824 | S | 32.2 | Very low | 41.1 | Very low | 73 Ų | 73 | 76.3 Ų | 76.3 | 51% | 0.51 | 44% | 0.44 | S | S | . | . | trans | -39.5 | 130.8 | 163.9 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | T822 A826 Y827 | T822-S824 PolarHBondContact O-N 2.98Å; S824-A826 PolarHBondContact O-N 3.47Å; S824-Y827 PolarHBondContact O-N 3.09Å | ||
| 825 | T | 34.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 75.8 Ų | 75.8 | 75% | 0.748 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -8.5 | 178.6 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | F823 | F823-T825 PolarHBondContact O-N 3.47Š|
| 826 | A | 32.8 | Very low | 42.6 | Very low | 64 Ų | 64 | 73.9 Ų | 73.9 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S824 | S824-A826 PolarHBondContact O-N 3.47Š|
| 827 | Y | 34.2 | Very low | 43.8 | Very low | 112 Ų | 112 | 74.3 Ų | 74.3 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | trans | -134.7 | 39.4 | -165.5 | -54.2 | -68.4 | 0 | 0 | 0 | 115.9 | F802 S824 | F802-Y827 HydrophobicContact CE2-CD1 4.06Å; F802-Y827 AromaticContact CZ-CD1 3.93Å; F802-Y827 HydrophobicContact CZ-CD1 3.93Å; S824-Y827 PolarHBondContact O-N 3.09Å | ||
| 828 | S | 37.4 | Very low | 45 | Very low | 28 Ų | 28 | 70.2 Ų | 70.2 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | trans | -73.4 | 135.8 | 170.1 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | R830 | S828-R830 PolarHBondContact O-N 3.02Å; S828-R830 VanDerWaalsContact O-N 3.1Å | ||
| 829 | P | 38.9 | Very low | 46.3 | Very low | 75 Ų | 75 | 66.3 Ų | 66.3 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | trans | -62.5 | 116.3 | 174.1 | 24.2 | -30.6 | 0 | 0 | 0 | 109.1 | ||||
| 830 | R | 44 | Very low | 48 | Very low | 98 Ų | 98 | 62.9 Ų | 62.9 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | trans | -77.9 | -30.8 | -179.6 | -69.8 | -178.2 | 171 | -177.9 | -8.2 | 112.6 | I731 S828 V872 | I731-R830 HydrophobicContact CG2-CB 4.31Å; S828-R830 PolarHBondContact O-N 3.02Å; S828-R830 VanDerWaalsContact O-N 3.1Å; R830-V872 PolarHBondContact O-N 3.11Å | ||
| 831 | A | 46 | Very low | 50 | Low | 53 Ų | 53 | 60.2 Ų | 60.2 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 138 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V872 | A831-V872 CarbonylContact C-O 3.6Å; A831-V872 WeakPolarHBondContact CA-O 3.44Å |
| 832 | L | 56.6 | Low | 51.9 | Low | 41 Ų | 41 | 60.4 Ų | 60.4 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.1 | 166.2 | -179.5 | 68.9 | 0 | 0 | 0 | 108.8 | L809 V812 I834 L855 V872 I873 L874 | L809-L832 HydrophobicContact CD1-CD2 4.27Å; V812-L832 HydrophobicContact CG1-CD1 3.96Å; V812-L832 HydrophobicContact CG1-CD2 4.26Å; L832-I834 HydrophobicContact CD2-CD1 4.23Å; L832-I834 HydrophobicContact CD2-CG1 4.31Å; L832-I834 HydrophobicContact CG-CG1 4.33Å; L832-L855 HydrophobicContact CD2-CD2 3.23Å; L832-V872 PolarHBondContact N-O 3.29Å; L832-I873 HydrophobicContact CB-CG1 4.47Å; L832-I873 HydrophobicContact CD2-CG2 4.34Å; L832-I873 CarbonylContact O-C 3.58Å; L832-L874 PolarHBondContact O-N 2.63Å |
| 833 | L | 53.6 | Low | 53.6 | Low | 69 Ų | 69 | 59.5 Ų | 59.5 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.7 | -179.8 | -164.9 | 77 | 0 | 0 | 0 | 110 | L874 V876 | L833-L874 WeakPolarHBondContact CA-O 3.34Å; L833-L874 HydrophobicContact CD1-CB 3.98Å; L833-L874 HydrophobicContact CD1-CD2 3.6Å; L833-L874 HydrophobicContact CD1-CG 4.01Å; L833-V876 HydrophobicContact CD1-CG2 3.42Å; L833-V876 VanDerWaalsContact CD1-CG2 3.42Å; L833-V876 HydrophobicContact CG-CG2 4.06Å |
| 834 | I | 63.7 | Low | 55.6 | Low | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.087 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.7 | 175.6 | -57.5 | 171.6 | 0 | 0 | 0 | 107.1 | L809 L832 L852 I873 L874 L875 V876 | L809-I834 HydrophobicContact CD1-CD1 3.91Å; L809-I834 HydrophobicContact CD1-CG1 4.23Å; L809-I834 HydrophobicContact CD2-CD1 3.95Å; L832-I834 HydrophobicContact CD2-CD1 4.23Å; L832-I834 HydrophobicContact CD2-CG1 4.31Å; L832-I834 HydrophobicContact CG-CG1 4.33Å; I834-L852 HydrophobicContact CD1-CD1 4.44Å; I834-L852 HydrophobicContact CD1-CD2 3.79Å; I834-L852 HydrophobicContact CD1-CG 3.95Å; I834-I873 HydrophobicContact CD1-CG2 4.08Å; I834-L874 PolarHBondContact N-O 2.84Å; I834-L875 HydrophobicContact CB-CD1 3.8Å; I834-L875 HydrophobicContact CG2-CD1 3.58Å; I834-L875 CarbonylContact O-C 3.41Å; I834-L875 WeakPolarHBondContact O-CA 3.32Å; I834-V876 PolarHBondContact O-N 3.32Å |
| 835 | H | 63.7 | Low | 57.7 | Low | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.8 | -178.5 | 59.4 | -84 | 0 | 0 | 0 | 111.8 | F806 V876 F878 | F806-H835 AromaticContact CE1-CE1 3.61Å; F806-H835 AromaticContact CE1-NE2 3.98Å; H835-V876 CarbonylContact C-O 3.58Å; H835-V876 VanDerWaalsContact CA-O 3.3Å; H835-V876 WeakPolarHBondContact CA-O 3.14Å; H835-V876 HydrophobicContact CB-CB 4.48Å; H835-F878 HydrophobicContact CB-CD2 4.08Å; H835-F878 HydrophobicContact CB-CE2 3.58Å |
| 836 | Y | 64.7 | Low | 59.7 | Low | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157 | 175.6 | 72.6 | -81.6 | 0 | 0 | 0 | 111.9 | W841 I848 L875 V876 A877 F878 F968 | Y836-W841 HydrophobicContact CD1-CZ3 4.23Å; Y836-W841 AromaticContact CD2-CE3 3.53Å; Y836-W841 HydrophobicContact CD2-CE3 3.53Å; Y836-W841 AromaticContact CD2-CZ3 3.95Å; Y836-W841 HydrophobicContact CD2-CZ3 3.95Å; Y836-W841 HydrophobicContact CE1-CE3 4.33Å; Y836-W841 AromaticContact CE1-CZ3 3.87Å; Y836-W841 HydrophobicContact CE1-CZ3 3.87Å; Y836-W841 HydrophobicContact CE2-CD2 4.28Å; Y836-W841 AromaticContact CE2-CE3 3.18Å; Y836-W841 HydrophobicContact CE2-CE3 3.18Å; Y836-W841 AromaticContact CE2-CZ3 3.6Å; Y836-W841 HydrophobicContact CE2-CZ3 3.6Å; Y836-W841 HydrophobicContact CG-CE3 4.25Å; Y836-W841 HydrophobicContact CG-CZ3 4.25Å; Y836-W841 AromaticContact CZ-CE3 3.61Å; Y836-W841 AromaticContact CZ-CZ3 3.51Å; Y836-I848 HydrophobicContact CG-CD1 4.12Å; Y836-L875 HydrophobicContact CD1-CD1 3.8Å; Y836-L875 HydrophobicContact CD1-CG 4.09Å; Y836-L875 HydrophobicContact CE1-CD1 3.97Å; Y836-L875 HydrophobicContact CE1-CD2 4Å; Y836-L875 HydrophobicContact CE1-CG 3.74Å; Y836-V876 WeakPolarHBondContact CD1-O 3.4Å; Y836-V876 PolarHBondContact N-O 3.18Å; Y836-A877 HydrophobicContact CE1-CB 3.66Å; Y836-A877 HydrophobicContact CE2-CB 4Å; Y836-A877 VanDerWaalsContact OH-CB 3.26Å; Y836-A877 WeakPolarHBondContact OH-CB 3.12Å; Y836-F878 PolarHBondContact O-N 3.43Å; Y836-F968 HydrophobicContact CE1-CE2 4.19Å; Y836-F968 WeakPolarHBondContact OH-CE2 3.43Å; Y836-F968 WeakPolarHBondContact OH-CZ 3.47Å |
| 837 | S | 70 | Confident | 61.6 | Low | 41 Ų | 41 | 52.1 Ų | 52.1 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.2 | 169.8 | 179.9 | 0 | 0 | 0 | 0 | 110 | S839 S840 | S837-S839 VanDerWaalsContact C-N 3.28Å; S837-S839 PolarHBondContact O-N 2.98Å; S837-S839 PolarHBondContact OG-OG 3.38Å; S837-S840 WeakPolarHBondContact O-CB 3.24Å; S837-S840 PolarHBondContact O-N 2.86Å |
| 838 | S | 69.5 | Low | 63.5 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -56.6 | -39.9 | 178.7 | 49.5 | 0 | 0 | 0 | 0 | 113 | S840 W841 F878 H879 G892 | S838-S840 PolarHBondContact O-N 3.38Å; S838-W841 PolarHBondContact O-N 2.92Å; S838-F878 PolarHBondContact N-O 3.23Å; S838-F878 PolarHBondContact OG-O 3.5Å; S838-H879 PolarHBondContact OG-ND1 3.43Å; S838-G892 WeakPolarHBondContact O-CA 3.48Å |
| 839 | S | 70.1 | Confident | 65.6 | Low | 12 Ų | 12 | 49.1 Ų | 49.1 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -67.3 | -13.2 | 177.3 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | S837 | S837-S839 VanDerWaalsContact C-N 3.28Å; S837-S839 PolarHBondContact O-N 2.98Å; S837-S839 PolarHBondContact OG-OG 3.38Å |
| 840 | S | 70.8 | Confident | 67.6 | Low | 15 Ų | 15 | 49.4 Ų | 49.4 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -105.1 | 5.4 | -177.3 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | F778 S837 S838 S842 E843 V844 | F778-S840 VanDerWaalsContact CZ-CB 3.43Å; S837-S840 WeakPolarHBondContact O-CB 3.24Å; S837-S840 PolarHBondContact O-N 2.86Å; S838-S840 PolarHBondContact O-N 3.38Å; S840-S842 VanDerWaalsContact C-N 3.27Å; S840-S842 PolarHBondContact O-N 2.7Å; S840-E843 WeakPolarHBondContact O-CB 3.35Å; S840-E843 PolarHBondContact O-N 3.29Å; S840-V844 VanDerWaalsContact O-CG2 3.31Å; S840-V844 WeakPolarHBondContact O-CG2 3.35Å; S840-V844 PolarHBondContact O-N 2.85Å; S840-V844 VanDerWaalsContact O-N 3.12Å |
| 841 | W | 75.7 | Confident | 68.9 | Low | 16 Ų | 16 | 45.4 Ų | 45.4 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.9 | -36.7 | -174.7 | -175 | -89 | 0 | 0 | 0 | 113.6 | Y836 S838 E843 V844 G845 I848 G892 H895 L899 | Y836-W841 HydrophobicContact CD1-CZ3 4.23Å; Y836-W841 AromaticContact CD2-CE3 3.53Å; Y836-W841 HydrophobicContact CD2-CE3 3.53Å; Y836-W841 AromaticContact CD2-CZ3 3.95Å; Y836-W841 HydrophobicContact CD2-CZ3 3.95Å; Y836-W841 HydrophobicContact CE1-CE3 4.33Å; Y836-W841 AromaticContact CE1-CZ3 3.87Å; Y836-W841 HydrophobicContact CE1-CZ3 3.87Å; Y836-W841 HydrophobicContact CE2-CD2 4.28Å; Y836-W841 AromaticContact CE2-CE3 3.18Å; Y836-W841 HydrophobicContact CE2-CE3 3.18Å; Y836-W841 AromaticContact CE2-CZ3 3.6Å; Y836-W841 HydrophobicContact CE2-CZ3 3.6Å; Y836-W841 HydrophobicContact CG-CE3 4.25Å; Y836-W841 HydrophobicContact CG-CZ3 4.25Å; Y836-W841 AromaticContact CZ-CE3 3.61Å; Y836-W841 AromaticContact CZ-CZ3 3.51Å; S838-W841 PolarHBondContact O-N 2.92Å; W841-E843 PolarHBondContact O-N 3.49Å; W841-E843 VanDerWaalsContact O-N 3.11Å; W841-V844 PolarHBondContact O-N 3.31Å; W841-G845 WeakPolarHBondContact O-CA 3.41Å; W841-G845 PolarHBondContact O-N 2.79Å; W841-I848 HydrophobicContact CH2-CG2 4.21Å; W841-I848 HydrophobicContact CZ3-CD1 4.3Å; W841-I848 HydrophobicContact CZ3-CG2 4.36Å; W841-G892 VanDerWaalsContact CB-CA 3.47Å; W841-H895 VanDerWaalsContact CD1-CB 3.43Å; W841-H895 AromaticContact CD1-CG 3.8Å; W841-H895 HydrophobicContact CD2-CB 4.05Å; W841-H895 VanDerWaalsContact CE2-CB 3.41Å; W841-H895 HydrophobicContact CG-CB 4.05Å; W841-H895 HydrophobicContact CZ2-CB 3.96Å; W841-H895 AromaticContact NE1-CG 3.6Å; W841-L899 HydrophobicContact CH2-CB 4.47Å; W841-L899 HydrophobicContact CH2-CD2 3.76Å; W841-L899 HydrophobicContact CZ2-CB 4.45Å; W841-L899 HydrophobicContact CZ2-CD2 4.17Å |
| 842 | S | 71.6 | Confident | 70.5 | Confident | 97 Ų | 97 | 42.9 Ų | 42.9 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -57.4 | -25.9 | 176.3 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | S840 | S840-S842 VanDerWaalsContact C-N 3.27Å; S840-S842 PolarHBondContact O-N 2.7Å |
| 843 | E | 68.7 | Low | 71.6 | Confident | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -98.6 | -36.7 | -175.8 | -62.4 | 177.4 | -119.7 | 0 | 0 | 112.2 | F778 S840 W841 | F778-E843 HydrophobicContact CD1-CB 4.33Å; F778-E843 HydrophobicContact CE1-CB 3.34Å; F778-E843 HydrophobicContact CE1-CG 4.36Å; F778-E843 HydrophobicContact CE2-CB 4.11Å; F778-E843 HydrophobicContact CE2-CG 4.34Å; F778-E843 WeakPolarHBondContact CE2-OE2 3.15Å; F778-E843 HydrophobicContact CZ-CB 3.23Å; F778-E843 HydrophobicContact CZ-CG 3.75Å; F778-E843 WeakPolarHBondContact CZ-OE2 3.39Å; S840-E843 WeakPolarHBondContact O-CB 3.35Å; S840-E843 PolarHBondContact O-N 3.29Å; W841-E843 PolarHBondContact O-N 3.49Å; W841-E843 VanDerWaalsContact O-N 3.11Å |
| 844 | V | 69.3 | Low | 72.6 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -100.5 | -15.1 | 179.2 | -77.1 | 0 | 0 | 0 | 0 | 115.5 | F778 V780 S840 W841 I846 D847 I848 | F778-V844 HydrophobicContact CD1-CG1 3.26Å; F778-V844 HydrophobicContact CE1-CB 4.27Å; F778-V844 HydrophobicContact CE1-CG1 3.35Å; F778-V844 HydrophobicContact CE1-CG2 4.38Å; V780-V844 HydrophobicContact CG2-CG1 3.41Å; V780-V844 VanDerWaalsContact CG2-CG1 3.41Å; S840-V844 VanDerWaalsContact O-CG2 3.31Å; S840-V844 WeakPolarHBondContact O-CG2 3.35Å; S840-V844 PolarHBondContact O-N 2.85Å; S840-V844 VanDerWaalsContact O-N 3.12Å; W841-V844 PolarHBondContact O-N 3.31Å; V844-I846 VanDerWaalsContact C-N 3.32Å; V844-I846 PolarHBondContact O-N 2.95Å; V844-D847 PolarHBondContact O-N 3.32Å; V844-D847 VanDerWaalsContact O-N 3.14Å; V844-I848 HydrophobicContact CB-CD1 3.83Å; V844-I848 HydrophobicContact CB-CG1 4.28Å; V844-I848 HydrophobicContact CG2-CD1 3.72Å; V844-I848 WeakPolarHBondContact O-CG1 3.46Å; V844-I848 PolarHBondContact O-N 3.21Å |
| 845 | G | 75.6 | Confident | 72.9 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55 | -48.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W841 D847 I848 E849 | W841-G845 WeakPolarHBondContact O-CA 3.41Å; W841-G845 PolarHBondContact O-N 2.79Å; G845-D847 PolarHBondContact O-N 2.83Å; G845-I848 PolarHBondContact O-N 3.33Å; G845-E849 WeakPolarHBondContact O-CB 3.32Å; G845-E849 WeakPolarHBondContact O-CG 3.39Å; G845-E849 PolarHBondContact O-N 2.83Å |
| 846 | I | 76.8 | Confident | 73.5 | Confident | 117 Ų | 117 | 38.8 Ų | 38.8 | 60% | 0.6 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.8 | -42.5 | -178.5 | -61.5 | 170.3 | 0 | 0 | 0 | 111.8 | V844 E849 N850 | V844-I846 VanDerWaalsContact C-N 3.32Å; V844-I846 PolarHBondContact O-N 2.95Å; I846-E849 PolarHBondContact O-N 2.84Å; I846-N850 WeakPolarHBondContact O-CB 3.36Å; I846-N850 VanDerWaalsContact O-CG 3.23Å; I846-N850 PolarHBondContact O-N 2.98Å; I846-N850 PolarHBondContact O-ND2 3.43Å; I846-N850 VanDerWaalsContact O-ND2 3.16Å |
| 847 | D | 72.6 | Confident | 74 | Confident | 71 Ų | 71 | 40.8 Ų | 40.8 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72 | -37.9 | -178.6 | -68.7 | -28 | 0 | 0 | 0 | 112 | V780 V844 G845 S851 | V780-D847 VanDerWaalsContact CG1-OD2 3.26Å; V780-D847 WeakPolarHBondContact CG1-OD2 3.41Å; V844-D847 PolarHBondContact O-N 3.32Å; V844-D847 VanDerWaalsContact O-N 3.14Å; G845-D847 PolarHBondContact O-N 2.83Å; D847-S851 VanDerWaalsContact O-CB 3.24Å; D847-S851 WeakPolarHBondContact O-CB 3.22Å; D847-S851 PolarHBondContact O-N 3.28Å; D847-S851 PolarHBondContact O-OG 2.87Å |
| 848 | I | 74.5 | Confident | 73.8 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 173.3 | -69.9 | 174.4 | 0 | 0 | 0 | 109.9 | Y836 W841 V844 G845 S851 L852 L875 L899 | Y836-I848 HydrophobicContact CG-CD1 4.12Å; W841-I848 HydrophobicContact CH2-CG2 4.21Å; W841-I848 HydrophobicContact CZ3-CD1 4.3Å; W841-I848 HydrophobicContact CZ3-CG2 4.36Å; V844-I848 HydrophobicContact CB-CD1 3.83Å; V844-I848 HydrophobicContact CB-CG1 4.28Å; V844-I848 HydrophobicContact CG2-CD1 3.72Å; V844-I848 WeakPolarHBondContact O-CG1 3.46Å; V844-I848 PolarHBondContact O-N 3.21Å; G845-I848 PolarHBondContact O-N 3.33Å; I848-S851 PolarHBondContact O-N 3.01Å; I848-L852 HydrophobicContact CG2-CD1 3.58Å; I848-L852 VanDerWaalsContact O-CB 3.28Å; I848-L852 WeakPolarHBondContact O-CB 3.38Å; I848-L852 PolarHBondContact O-N 2.9Å; I848-L875 HydrophobicContact CG2-CD1 4.2Å; I848-L899 HydrophobicContact CG2-CD2 4.06Å |
| 849 | E | 82.4 | Confident | 73.7 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.8 | -52.6 | 176.8 | -73.9 | -169.8 | -179.4 | 0 | 0 | 111.9 | G845 I846 S851 L852 S853 L899 | G845-E849 WeakPolarHBondContact O-CB 3.32Å; G845-E849 WeakPolarHBondContact O-CG 3.39Å; G845-E849 PolarHBondContact O-N 2.83Å; I846-E849 PolarHBondContact O-N 2.84Å; E849-S851 VanDerWaalsContact C-N 3.34Å; E849-S851 PolarHBondContact O-N 2.91Å; E849-L852 PolarHBondContact O-N 3.12Å; E849-S853 WeakPolarHBondContact O-CB 3.47Å; E849-S853 PolarHBondContact O-N 2.8Å; E849-L899 HydrophobicContact CB-CD1 4.15Å; E849-L899 HydrophobicContact CB-CD2 4.31Å; E849-L899 HydrophobicContact CG-CD1 3.55Å; E849-L899 HydrophobicContact CG-CD2 3.52Å; E849-L899 HydrophobicContact CG-CG 4Å |
| 850 | N | 79.3 | Confident | 73.5 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.7 | -46.1 | -179.5 | -74.9 | -29.9 | 0 | 0 | 0 | 111.4 | I846 S853 K854 | I846-N850 WeakPolarHBondContact O-CB 3.36Å; I846-N850 VanDerWaalsContact O-CG 3.23Å; I846-N850 PolarHBondContact O-N 2.98Å; I846-N850 PolarHBondContact O-ND2 3.43Å; I846-N850 VanDerWaalsContact O-ND2 3.16Å; N850-S853 PolarHBondContact O-N 2.83Å; N850-S853 PolarHBondContact O-OG 2.81Å; N850-K854 WeakPolarHBondContact O-CG 3.37Å; N850-K854 PolarHBondContact O-N 3.39Å; N850-K854 VanDerWaalsContact O-N 3.09Å |
| 851 | S | 72.4 | Confident | 72.7 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.2 | -41.5 | -176.8 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | I813 D847 I848 E849 S853 K854 L855 | I813-S851 VanDerWaalsContact CD1-O 3.31Å; I813-S851 WeakPolarHBondContact CD1-O 3.4Å; D847-S851 VanDerWaalsContact O-CB 3.24Å; D847-S851 WeakPolarHBondContact O-CB 3.22Å; D847-S851 PolarHBondContact O-N 3.28Å; D847-S851 PolarHBondContact O-OG 2.87Å; I848-S851 PolarHBondContact O-N 3.01Å; E849-S851 VanDerWaalsContact C-N 3.34Å; E849-S851 PolarHBondContact O-N 2.91Å; S851-S853 VanDerWaalsContact C-N 3.31Å; S851-S853 PolarHBondContact O-N 2.76Å; S851-K854 PolarHBondContact O-N 3.37Å; S851-L855 WeakPolarHBondContact O-CB 3.27Å; S851-L855 PolarHBondContact O-N 3.39Å |
| 852 | L | 78.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 173.7 | -90.9 | 156.6 | 0 | 0 | 0 | 111.7 | I834 I848 E849 L855 C856 I873 L875 L899 L903 | I834-L852 HydrophobicContact CD1-CD1 4.44Å; I834-L852 HydrophobicContact CD1-CD2 3.79Å; I834-L852 HydrophobicContact CD1-CG 3.95Å; I848-L852 HydrophobicContact CG2-CD1 3.58Å; I848-L852 VanDerWaalsContact O-CB 3.28Å; I848-L852 WeakPolarHBondContact O-CB 3.38Å; I848-L852 PolarHBondContact O-N 2.9Å; E849-L852 PolarHBondContact O-N 3.12Å; L852-L855 PolarHBondContact O-N 2.81Å; L852-C856 WeakPolarHBondContact O-CB 3.39Å; L852-C856 PolarHBondContact O-N 3.03Å; L852-C856 PolarHBondContact O-SG 2.88Å; L852-I873 HydrophobicContact CD2-CG2 3.91Å; L852-L875 HydrophobicContact CD1-CD1 4.34Å; L852-L875 HydrophobicContact CD1-CD2 4.35Å; L852-L899 HydrophobicContact CD1-CD2 3.85Å; L852-L903 HydrophobicContact CB-CD1 3.65Å; L852-L903 HydrophobicContact CD1-CD1 4.42Å; L852-L903 HydrophobicContact CD2-CD1 4.39Å; L852-L903 HydrophobicContact CG-CD1 4.39Å |
| 853 | S | 80.5 | Confident | 70.4 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.9 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | E849 N850 S851 C856 S857 Y907 | E849-S853 WeakPolarHBondContact O-CB 3.47Å; E849-S853 PolarHBondContact O-N 2.8Å; N850-S853 PolarHBondContact O-N 2.83Å; N850-S853 PolarHBondContact O-OG 2.81Å; S851-S853 VanDerWaalsContact C-N 3.31Å; S851-S853 PolarHBondContact O-N 2.76Å; S853-C856 PolarHBondContact O-N 2.87Å; S853-S857 WeakPolarHBondContact O-CB 3.44Å; S853-S857 PolarHBondContact O-N 2.93Å; S853-Y907 PolarHBondContact O-OH 3.3Å; S853-Y907 VanDerWaalsContact O-OH 3.12Å |
| 854 | K | 74.4 | Confident | 69.4 | Low | 96 Ų | 96 | 48 Ų | 48 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 174.4 | -71.5 | 178.8 | -165.6 | 172.3 | 0 | 111.1 | D810 I813 N850 S851 S857 A858 | D810-K854 IonicContact OD1-NZ 2.95Å; D810-K854 PolarHBondContact OD1-NZ 3.06Å; I813-K854 HydrophobicContact CD1-CB 3.87Å; I813-K854 HydrophobicContact CD1-CD 4.33Å; I813-K854 HydrophobicContact CG2-CB 4.43Å; N850-K854 WeakPolarHBondContact O-CG 3.37Å; N850-K854 PolarHBondContact O-N 3.39Å; N850-K854 VanDerWaalsContact O-N 3.09Å; S851-K854 PolarHBondContact O-N 3.37Å; K854-S857 PolarHBondContact O-N 2.79Å; K854-S857 PolarHBondContact O-OG 2.97Å; K854-A858 PolarHBondContact O-N 2.78Å |
| 855 | L | 70.4 | Confident | 68.4 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.5 | -173.8 | 71.2 | 0 | 0 | 0 | 111.9 | I813 L832 S851 L852 S857 A858 F859 I873 | I813-L855 HydrophobicContact CD1-CB 4.31Å; I813-L855 HydrophobicContact CG1-CB 3.9Å; I813-L855 HydrophobicContact CG1-CD1 3.82Å; I813-L855 HydrophobicContact CG1-CG 4.45Å; L832-L855 HydrophobicContact CD2-CD2 3.23Å; S851-L855 WeakPolarHBondContact O-CB 3.27Å; S851-L855 PolarHBondContact O-N 3.39Å; L852-L855 PolarHBondContact O-N 2.81Å; L855-S857 VanDerWaalsContact C-N 3.3Å; L855-S857 PolarHBondContact O-N 3.17Å; L855-A858 VanDerWaalsContact O-CB 3.31Å; L855-A858 WeakPolarHBondContact O-CB 3.39Å; L855-A858 PolarHBondContact O-N 3.38Å; L855-A858 VanDerWaalsContact O-N 3.13Å; L855-F859 HydrophobicContact CD1-CD2 4.25Å; L855-F859 HydrophobicContact CD1-CE2 3.79Å; L855-F859 HydrophobicContact CD2-CE2 4.27Å; L855-F859 HydrophobicContact CG-CD2 4Å; L855-F859 HydrophobicContact CG-CE2 3.81Å; L855-F859 VanDerWaalsContact O-CD2 3.3Å; L855-F859 WeakPolarHBondContact O-CD2 3.48Å; L855-F859 PolarHBondContact O-N 3.26Å; L855-I873 HydrophobicContact CD2-CD1 3.74Å; L855-I873 HydrophobicContact CD2-CG1 4.25Å; L855-I873 HydrophobicContact CD2-CG2 4.37Å; L855-I873 HydrophobicContact CG-CD1 4.22Å |
| 856 | C | 77.1 | Confident | 67 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | L852 S853 A858 F859 N860 Y907 F964 | L852-C856 WeakPolarHBondContact O-CB 3.39Å; L852-C856 PolarHBondContact O-N 3.03Å; L852-C856 PolarHBondContact O-SG 2.88Å; S853-C856 PolarHBondContact O-N 2.87Å; C856-A858 VanDerWaalsContact C-N 3.3Å; C856-A858 PolarHBondContact O-N 2.95Å; C856-F859 PolarHBondContact O-N 2.84Å; C856-N860 WeakPolarHBondContact O-CB 3.46Å; C856-N860 PolarHBondContact O-N 3.28Å; C856-Y907 HydrophobicContact CB-CD1 4.14Å; C856-Y907 HydrophobicContact CB-CD2 3.48Å; C856-Y907 VanDerWaalsContact CB-CD2 3.48Å; C856-Y907 HydrophobicContact CB-CE1 3.99Å; C856-Y907 HydrophobicContact CB-CE2 3.31Å; C856-Y907 HydrophobicContact CB-CG 3.9Å; C856-F964 HydrophobicContact CB-CE2 4.3Å; C856-F964 HydrophobicContact CB-CZ 3.78Å |
| 857 | S | 73.7 | Confident | 65.6 | Low | 52 Ų | 52 | 58 Ų | 58 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 173.7 | 80.5 | 0 | 0 | 0 | 0 | 112.5 | S853 K854 L855 N860 L861 Y907 | S853-S857 WeakPolarHBondContact O-CB 3.44Å; S853-S857 PolarHBondContact O-N 2.93Å; K854-S857 PolarHBondContact O-N 2.79Å; K854-S857 PolarHBondContact O-OG 2.97Å; L855-S857 VanDerWaalsContact C-N 3.3Å; L855-S857 PolarHBondContact O-N 3.17Å; S857-N860 PolarHBondContact O-N 3.23Å; S857-L861 PolarHBondContact O-N 3.43Å; S857-L861 VanDerWaalsContact O-N 3.08Å; S857-Y907 WeakPolarHBondContact CB-OH 3.48Å; S857-Y907 PolarHBondContact N-OH 3.09Å |
| 858 | A | 66.3 | Low | 64.4 | Low | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L817 K854 L855 C856 N860 L861 | L817-A858 HydrophobicContact CD1-CB 4.48Å; L817-A858 HydrophobicContact CD2-CB 3.37Å; L817-A858 HydrophobicContact CG-CB 3.85Å; K854-A858 PolarHBondContact O-N 2.78Å; L855-A858 VanDerWaalsContact O-CB 3.31Å; L855-A858 WeakPolarHBondContact O-CB 3.39Å; L855-A858 PolarHBondContact O-N 3.38Å; L855-A858 VanDerWaalsContact O-N 3.13Å; C856-A858 VanDerWaalsContact C-N 3.3Å; C856-A858 PolarHBondContact O-N 2.95Å; A858-N860 VanDerWaalsContact C-N 3.3Å; A858-L861 PolarHBondContact O-N 2.97Å |
| 859 | F | 66.7 | Low | 63.1 | Low | 12 Ų | 12 | 67.5 Ų | 67.5 | 5% | 0.053 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.2 | -26.6 | 174.3 | -79.9 | -75.5 | 0 | 0 | 0 | 113 | V816 L855 C856 F864 P871 I873 K963 F964 | V816-F859 HydrophobicContact CG1-CZ 4.37Å; L855-F859 HydrophobicContact CD1-CD2 4.25Å; L855-F859 HydrophobicContact CD1-CE2 3.79Å; L855-F859 HydrophobicContact CD2-CE2 4.27Å; L855-F859 HydrophobicContact CG-CD2 4Å; L855-F859 HydrophobicContact CG-CE2 3.81Å; L855-F859 VanDerWaalsContact O-CD2 3.3Å; L855-F859 WeakPolarHBondContact O-CD2 3.48Å; L855-F859 PolarHBondContact O-N 3.26Å; C856-F859 PolarHBondContact O-N 2.84Å; F859-F864 AromaticContact CD1-CD2 3.82Å; F859-F864 HydrophobicContact CD1-CD2 3.82Å; F859-F864 AromaticContact CD1-CE2 3.76Å; F859-F864 HydrophobicContact CD1-CE2 3.76Å; F859-F864 HydrophobicContact CD1-CG 4.45Å; F859-F864 HydrophobicContact CD1-CZ 4.34Å; F859-F864 HydrophobicContact CE1-CD2 4.4Å; F859-F864 HydrophobicContact CE1-CE2 4.12Å; F859-F864 HydrophobicContact CE1-CZ 4.24Å; F859-P871 HydrophobicContact CD1-CG 3.99Å; F859-P871 HydrophobicContact CE1-CB 3.98Å; F859-P871 HydrophobicContact CE1-CG 3.64Å; F859-P871 HydrophobicContact CZ-CB 4.43Å; F859-I873 HydrophobicContact CD2-CD1 3.93Å; F859-I873 HydrophobicContact CE2-CD1 3.89Å; F859-I873 HydrophobicContact CE2-CG1 4.34Å; F859-K963 VanDerWaalsContact O-CD 3.31Å; F859-K963 WeakPolarHBondContact O-CD 3.46Å; F859-F964 HydrophobicContact CB-CB 4.43Å; F859-F964 HydrophobicContact CB-CD1 3.36Å; F859-F964 HydrophobicContact CB-CE1 3.7Å; F859-F964 HydrophobicContact CB-CG 4Å; F859-F964 HydrophobicContact CD1-CB 4.34Å; F859-F964 HydrophobicContact CG-CB 4.33Å; F859-F964 HydrophobicContact CG-CD1 4.12Å; F859-F964 HydrophobicContact CG-CG 4.28Å |
| 860 | N | 66.3 | Low | 61.8 | Low | 69 Ų | 69 | 67.5 Ų | 67.5 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.3 | -24.3 | 177 | -163.4 | 15.5 | 0 | 0 | 0 | 113.2 | C856 S857 A858 N862 Y907 K963 | C856-N860 WeakPolarHBondContact O-CB 3.46Å; C856-N860 PolarHBondContact O-N 3.28Å; S857-N860 PolarHBondContact O-N 3.23Å; A858-N860 VanDerWaalsContact C-N 3.3Å; N860-N862 PolarHBondContact O-N 2.75Å; N860-Y907 HydrophobicContact CB-CD1 3.8Å; N860-Y907 HydrophobicContact CB-CE1 4Å; N860-K963 PolarHBondContact O-NZ 3.33Å; N860-K963 PolarHBondContact OD1-NZ 2.72Å |
| 861 | L | 54.6 | Low | 60.7 | Low | 106 Ų | 106 | 64.5 Ų | 64.5 | 56% | 0.555 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -60.7 | 126 | 164 | -73.1 | 153 | 0 | 0 | 0 | 107.1 | S857 A858 T863 | S857-L861 PolarHBondContact O-N 3.43Å; S857-L861 VanDerWaalsContact O-N 3.08Å; A858-L861 PolarHBondContact O-N 2.97Å; L861-T863 PolarHBondContact O-N 3.24Å; L861-T863 PolarHBondContact O-OG1 3.04Å; L861-T863 VanDerWaalsContact O-OG1 3.09Å |
| 862 | N | 49.7 | Very low | 59.8 | Low | 122 Ų | 122 | 65.7 Ų | 65.7 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -57 | 19.7 | -165.5 | -74.7 | -27.8 | 0 | 0 | 0 | 117.1 | N860 F864 K963 | N860-N862 PolarHBondContact O-N 2.75Å; N862-F864 VanDerWaalsContact C-N 3.27Å; N862-F864 PolarHBondContact O-N 2.67Å; N862-K963 WeakPolarHBondContact OD1-CE 3.48Å; N862-K963 PolarHBondContact OD1-NZ 3.39Å |
| 863 | T | 49.3 | Very low | 59.3 | Low | 81 Ų | 81 | 65.8 Ų | 65.8 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.6 | -169.9 | -16 | 0 | 0 | 0 | 0 | 114.1 | L861 | L861-T863 PolarHBondContact O-N 3.24Å; L861-T863 PolarHBondContact O-OG1 3.04Å; L861-T863 VanDerWaalsContact O-OG1 3.09Å |
| 864 | F | 47.5 | Very low | 58.3 | Low | 43 Ų | 43 | 65.4 Ų | 65.4 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 10.9 | -171.2 | -61.6 | -79.3 | 0 | 0 | 0 | 115.4 | V816 F859 N862 E866 Y867 | V816-F864 HydrophobicContact CG1-CE2 4.44Å; V816-F864 HydrophobicContact CG1-CZ 3.94Å; F859-F864 AromaticContact CD1-CD2 3.82Å; F859-F864 HydrophobicContact CD1-CD2 3.82Å; F859-F864 AromaticContact CD1-CE2 3.76Å; F859-F864 HydrophobicContact CD1-CE2 3.76Å; F859-F864 HydrophobicContact CD1-CG 4.45Å; F859-F864 HydrophobicContact CD1-CZ 4.34Å; F859-F864 HydrophobicContact CE1-CD2 4.4Å; F859-F864 HydrophobicContact CE1-CE2 4.12Å; F859-F864 HydrophobicContact CE1-CZ 4.24Å; N862-F864 VanDerWaalsContact C-N 3.27Å; N862-F864 PolarHBondContact O-N 2.67Å; F864-E866 PolarHBondContact O-N 2.85Å; F864-Y867 HydrophobicContact CB-CD2 3.96Å; F864-Y867 HydrophobicContact CB-CE2 4.29Å; F864-Y867 AromaticContact CD1-CD2 3.81Å; F864-Y867 HydrophobicContact CD1-CD2 3.81Å; F864-Y867 AromaticContact CD1-CE2 3.51Å; F864-Y867 HydrophobicContact CD1-CE2 3.51Å; F864-Y867 HydrophobicContact CE1-CE2 4.31Å; F864-Y867 HydrophobicContact CG-CD2 4.39Å; F864-Y867 HydrophobicContact CG-CE2 4.35Å; F864-Y867 WeakPolarHBondContact O-CD2 3.5Å; F864-Y867 PolarHBondContact O-N 3.32Å |
| 865 | S | 47 | Very low | 58.1 | Low | 107 Ų | 107 | 60.8 Ų | 60.8 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.9 | -175.6 | 57.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 866 | E | 47.1 | Very low | 57.8 | Low | 180 Ų | 180 | 60.9 Ų | 60.9 | 84% | 0.841 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.8 | -178.8 | -70.9 | -169.2 | 162.9 | 0 | 0 | 114.6 | F864 | F864-E866 PolarHBondContact O-N 2.85Š|
| 867 | Y | 46.5 | Very low | 57.3 | Low | 60 Ų | 60 | 60.9 Ų | 60.9 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | trans | -89.3 | 132.4 | -175.5 | -60.1 | -75.6 | 0 | 0 | 0 | 112.1 | F864 F869 | F864-Y867 HydrophobicContact CB-CD2 3.96Å; F864-Y867 HydrophobicContact CB-CE2 4.29Å; F864-Y867 AromaticContact CD1-CD2 3.81Å; F864-Y867 HydrophobicContact CD1-CD2 3.81Å; F864-Y867 AromaticContact CD1-CE2 3.51Å; F864-Y867 HydrophobicContact CD1-CE2 3.51Å; F864-Y867 HydrophobicContact CE1-CE2 4.31Å; F864-Y867 HydrophobicContact CG-CD2 4.39Å; F864-Y867 HydrophobicContact CG-CE2 4.35Å; F864-Y867 WeakPolarHBondContact O-CD2 3.5Å; F864-Y867 PolarHBondContact O-N 3.32Å; Y867-F869 PolarHBondContact O-N 2.8Å; Y867-F869 VanDerWaalsContact O-N 3.1Å | ||
| 868 | K | 47.9 | Very low | 56.7 | Low | 202 Ų | 202 | 60.5 Ų | 60.5 | 88% | 0.878 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -67.8 | -1.6 | 173.6 | -79.2 | -172.6 | 175 | -175.8 | 0 | 114.5 | ||
| 869 | F | 48.2 | Very low | 56.7 | Low | 86 Ų | 86 | 60.8 Ų | 60.8 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -131.7 | 140.8 | -172.8 | -47.8 | -77.3 | 0 | 0 | 0 | 109.6 | Y867 P871 | Y867-F869 PolarHBondContact O-N 2.8Å; Y867-F869 VanDerWaalsContact O-N 3.1Å; F869-P871 WeakPolarHBondContact O-CD 3.44Å |
| 870 | I | 54.2 | Low | 56 | Low | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | trans | -89.1 | 115.1 | 176.5 | -58.3 | 174.3 | 0 | 0 | 0 | 107.6 | S965 | I870-S965 WeakPolarHBondContact CG2-OG 3.45Š| ||
| 871 | P | 56.8 | Low | 55.2 | Low | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -62 | 139.4 | 175.7 | 22.4 | -30.3 | 0 | 0 | 0 | 110.9 | F859 F869 K963 F964 S965 | F859-P871 HydrophobicContact CD1-CG 3.99Å; F859-P871 HydrophobicContact CE1-CB 3.98Å; F859-P871 HydrophobicContact CE1-CG 3.64Å; F859-P871 HydrophobicContact CZ-CB 4.43Å; F869-P871 WeakPolarHBondContact O-CD 3.44Å; P871-K963 VanDerWaalsContact CD-O 3.26Å; P871-K963 WeakPolarHBondContact CD-O 3.35Å; P871-K963 WeakPolarHBondContact CG-O 3.46Å; P871-F964 HydrophobicContact CG-CB 3.94Å; P871-F964 CarbonylContact O-C 3.54Å; P871-F964 WeakPolarHBondContact O-CA 3.43Å; P871-F964 WeakPolarHBondContact O-CB 3.21Å; P871-S965 PolarHBondContact O-N 2.87Å | ||
| 872 | V | 53.2 | Low | 55 | Low | 39 Ų | 39 | 59.5 Ų | 59.5 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.3 | -178.6 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | R830 A831 L832 L912 S965 | R830-V872 PolarHBondContact O-N 3.11Å; A831-V872 CarbonylContact C-O 3.6Å; A831-V872 WeakPolarHBondContact CA-O 3.44Å; L832-V872 PolarHBondContact N-O 3.29Å; V872-L912 HydrophobicContact CG1-CD1 4.25Å; V872-S965 CarbonylContact C-O 3.59Å; V872-S965 WeakPolarHBondContact CA-O 3.19Å |
| 873 | I | 67.6 | Low | 55 | Low | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115 | 169.1 | -54.6 | 164.1 | 0 | 0 | 0 | 107.3 | L832 I834 L852 L855 F859 F964 S965 L966 G967 | L832-I873 HydrophobicContact CB-CG1 4.47Å; L832-I873 HydrophobicContact CD2-CG2 4.34Å; L832-I873 CarbonylContact O-C 3.58Å; I834-I873 HydrophobicContact CD1-CG2 4.08Å; L852-I873 HydrophobicContact CD2-CG2 3.91Å; L855-I873 HydrophobicContact CD2-CD1 3.74Å; L855-I873 HydrophobicContact CD2-CG1 4.25Å; L855-I873 HydrophobicContact CD2-CG2 4.37Å; L855-I873 HydrophobicContact CG-CD1 4.22Å; F859-I873 HydrophobicContact CD2-CD1 3.93Å; F859-I873 HydrophobicContact CE2-CD1 3.89Å; F859-I873 HydrophobicContact CE2-CG1 4.34Å; I873-F964 HydrophobicContact CD1-CD2 3.89Å; I873-F964 HydrophobicContact CD1-CE2 4.21Å; I873-S965 PolarHBondContact N-O 3.36Å; I873-L966 HydrophobicContact CB-CD2 3.8Å; I873-L966 HydrophobicContact CD1-CD2 3.97Å; I873-L966 HydrophobicContact CG1-CD2 4.41Å; I873-L966 HydrophobicContact CG2-CD2 4.29Å; I873-L966 CarbonylContact O-C 3.52Å; I873-L966 WeakPolarHBondContact O-CA 3.25Å; I873-G967 PolarHBondContact O-N 3.46Å |
| 874 | L | 59.9 | Low | 55.4 | Low | 37 Ų | 37 | 58.8 Ų | 58.8 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.2 | -177.4 | -171.6 | 69.3 | 0 | 0 | 0 | 109.9 | L832 L833 I834 V876 G967 L969 | L832-L874 PolarHBondContact O-N 2.63Å; L833-L874 WeakPolarHBondContact CA-O 3.34Å; L833-L874 HydrophobicContact CD1-CB 3.98Å; L833-L874 HydrophobicContact CD1-CD2 3.6Å; L833-L874 HydrophobicContact CD1-CG 4.01Å; I834-L874 PolarHBondContact N-O 2.84Å; L874-V876 HydrophobicContact CD2-CG2 4.17Å; L874-V876 HydrophobicContact CG-CG2 4.06Å; L874-G967 WeakPolarHBondContact CA-O 3.13Å; L874-L969 HydrophobicContact CD1-CB 4.32Å |
| 875 | L | 70.4 | Confident | 56.4 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.5 | 171.7 | -174.9 | 67.6 | 0 | 0 | 0 | 109.2 | I834 Y836 I848 L852 I900 G967 F968 L969 | I834-L875 HydrophobicContact CB-CD1 3.8Å; I834-L875 HydrophobicContact CG2-CD1 3.58Å; I834-L875 CarbonylContact O-C 3.41Å; I834-L875 WeakPolarHBondContact O-CA 3.32Å; Y836-L875 HydrophobicContact CD1-CD1 3.8Å; Y836-L875 HydrophobicContact CD1-CG 4.09Å; Y836-L875 HydrophobicContact CE1-CD1 3.97Å; Y836-L875 HydrophobicContact CE1-CD2 4Å; Y836-L875 HydrophobicContact CE1-CG 3.74Å; I848-L875 HydrophobicContact CG2-CD1 4.2Å; L852-L875 HydrophobicContact CD1-CD1 4.34Å; L852-L875 HydrophobicContact CD1-CD2 4.35Å; L875-I900 HydrophobicContact CB-CD1 3.37Å; L875-I900 HydrophobicContact CB-CG1 4.2Å; L875-I900 HydrophobicContact CD2-CD1 4.06Å; L875-I900 HydrophobicContact CD2-CG1 3.96Å; L875-I900 HydrophobicContact CG-CD1 4.35Å; L875-G967 PolarHBondContact N-O 3.23Å; L875-F968 HydrophobicContact CB-CD2 4.22Å; L875-F968 HydrophobicContact CD2-CD2 3.98Å; L875-F968 HydrophobicContact CD2-CE2 4.03Å; L875-F968 HydrophobicContact CG-CD2 4.22Å; L875-F968 HydrophobicContact CG-CE2 4.36Å; L875-F968 WeakPolarHBondContact O-CA 3.37Å; L875-L969 PolarHBondContact O-N 3.38Å |
| 876 | V | 63.6 | Low | 57.5 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.2 | -174.8 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | L833 I834 H835 Y836 L874 F878 L969 V971 | L833-V876 HydrophobicContact CD1-CG2 3.42Å; L833-V876 VanDerWaalsContact CD1-CG2 3.42Å; L833-V876 HydrophobicContact CG-CG2 4.06Å; I834-V876 PolarHBondContact O-N 3.32Å; H835-V876 CarbonylContact C-O 3.58Å; H835-V876 VanDerWaalsContact CA-O 3.3Å; H835-V876 WeakPolarHBondContact CA-O 3.14Å; H835-V876 HydrophobicContact CB-CB 4.48Å; Y836-V876 WeakPolarHBondContact CD1-O 3.4Å; Y836-V876 PolarHBondContact N-O 3.18Å; L874-V876 HydrophobicContact CD2-CG2 4.17Å; L874-V876 HydrophobicContact CG-CG2 4.06Å; V876-F878 HydrophobicContact CB-CD2 4.5Å; V876-F878 HydrophobicContact CB-CE2 3.91Å; V876-F878 HydrophobicContact CG1-CD2 3.95Å; V876-F878 HydrophobicContact CG1-CE2 3.37Å; V876-F878 HydrophobicContact CG1-CZ 3.84Å; V876-L969 CarbonylContact C-O 3.59Å; V876-L969 WeakPolarHBondContact CA-O 3.18Å; V876-L969 HydrophobicContact CG1-CB 4.43Å; V876-L969 HydrophobicContact CG1-CD2 4.32Å; V876-L969 HydrophobicContact CG1-CG 4.46Å; V876-L969 HydrophobicContact CG2-CB 4.33Å; V876-V971 HydrophobicContact CG1-CG2 3.98Å |
| 877 | A | 66.7 | Low | 58.7 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y836 F968 L969 S970 V971 | Y836-A877 HydrophobicContact CE1-CB 3.66Å; Y836-A877 HydrophobicContact CE2-CB 4Å; Y836-A877 VanDerWaalsContact OH-CB 3.26Å; Y836-A877 WeakPolarHBondContact OH-CB 3.12Å; A877-F968 HydrophobicContact CB-CE2 4.33Å; A877-F968 HydrophobicContact CB-CZ 3.82Å; A877-L969 PolarHBondContact N-O 2.85Å; A877-S970 WeakPolarHBondContact O-CA 3.28Å; A877-V971 PolarHBondContact O-N 3.24Å |
| 878 | F | 61 | Low | 60.1 | Low | 44 Ų | 44 | 53.9 Ų | 53.9 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.4 | 176.4 | -73.8 | -94.6 | 0 | 0 | 0 | 111.6 | I757 C761 H835 Y836 S838 V876 V971 | I757-F878 HydrophobicContact CG2-CD1 4.37Å; I757-F878 HydrophobicContact CG2-CE1 3.2Å; I757-F878 HydrophobicContact CG2-CE2 4.43Å; I757-F878 HydrophobicContact CG2-CZ 3.26Å; C761-F878 WeakPolarHBondContact SG-CD1 3.4Å; C761-F878 WeakPolarHBondContact SG-CE1 3.3Å; H835-F878 HydrophobicContact CB-CD2 4.08Å; H835-F878 HydrophobicContact CB-CE2 3.58Å; Y836-F878 PolarHBondContact O-N 3.43Å; S838-F878 PolarHBondContact N-O 3.23Å; S838-F878 PolarHBondContact OG-O 3.5Å; V876-F878 HydrophobicContact CB-CD2 4.5Å; V876-F878 HydrophobicContact CB-CE2 3.91Å; V876-F878 HydrophobicContact CG1-CD2 3.95Å; V876-F878 HydrophobicContact CG1-CE2 3.37Å; V876-F878 HydrophobicContact CG1-CZ 3.84Å; F878-V971 HydrophobicContact CD1-CB 4.36Å; F878-V971 HydrophobicContact CE1-CB 4.45Å |
| 879 | H | 65.5 | Low | 61.4 | Low | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.6 | 173.9 | -48 | -54.4 | 0 | 0 | 0 | 110.2 | S838 G881 I893 S970 V971 S972 Y982 | S838-H879 PolarHBondContact OG-ND1 3.43Å; H879-G881 PolarHBondContact O-N 2.76Å; H879-G881 VanDerWaalsContact O-N 3.1Å; H879-I893 WeakPolarHBondContact CE1-CD1 3.34Å; H879-I893 WeakPolarHBondContact CE1-CG1 3.3Å; H879-S970 PolarHBondContact CE1-OG 2.93Å; H879-S970 PolarHBondContact NE2-OG 3.03Å; H879-V971 PolarHBondContact CD2-O 3.3Å; H879-V971 PolarHBondContact N-O 2.75Å; H879-V971 VanDerWaalsContact N-O 3.13Å; H879-S972 VanDerWaalsContact CD2-CB 3.41Å; H879-S972 WeakPolarHBondContact CD2-CB 3.05Å; H879-S972 PolarHBondContact CD2-OG 3.18Å; H879-Y982 HydrophobicContact CB-CE2 4.19Å; H879-Y982 AromaticContact CD2-CD2 3.88Å; H879-Y982 AromaticContact CD2-CE2 3.53Å; H879-Y982 AromaticContact CG-CE2 3.5Å; H879-Y982 AromaticContact CG-CZ 3.99Å; H879-Y982 AromaticContact ND1-CE2 3.89Å; H879-Y982 AromaticContact NE2-CE2 3.97Å |
| 880 | S | 52.6 | Low | 62.7 | Low | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | -71.8 | 99.3 | 164.7 | 55.6 | 0 | 0 | 0 | 0 | 107.8 | S882 S883 E889 | S880-S882 PolarHBondContact O-N 3.03Å; S880-S883 PolarHBondContact O-N 3.46Å; S880-E889 VanDerWaalsContact O-OE1 3.13Å | ||
| 881 | G | 50.3 | Low | 64 | Low | 35 Ų | 35 | 41.5 Ų | 41.5 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -10.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | H879 R978 | H879-G881 PolarHBondContact O-N 2.76Å; H879-G881 VanDerWaalsContact O-N 3.1Å; G881-R978 PolarHBondContact O-NH2 2.99Å |
| 882 | S | 49.9 | Very low | 65.1 | Low | 96 Ų | 96 | 40.7 Ų | 40.7 | 67% | 0.671 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.9 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | S880 | S880-S882 PolarHBondContact O-N 3.03Š|
| 883 | S | 50.4 | Low | 66.3 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | trans | -81.4 | 126.9 | -178.1 | 122.1 | 0 | 0 | 0 | 0 | 111.2 | S880 Q885 E889 R978 | S880-S883 PolarHBondContact O-N 3.46Å; S883-Q885 PolarHBondContact O-N 2.81Å; S883-Q885 PolarHBondContact OG-N 2.92Å; S883-Q885 VanDerWaalsContact OG-N 3.15Å; S883-E889 WeakPolarHBondContact CB-OE1 3.28Å; S883-E889 PolarHBondContact OG-OE1 2.96Å; S883-R978 PolarHBondContact O-NH2 3.15Å; S883-R978 VanDerWaalsContact O-NH2 3.08Å | ||
| 884 | Q | 57.5 | Low | 67 | Low | 184 Ų | 184 | 40.4 Ų | 40.4 | 86% | 0.86 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -71.3 | -3.5 | 168.6 | -67.9 | 178.9 | -4.6 | 0 | 0 | 111.7 | I886 | Q884-I886 PolarHBondContact O-N 3.26Š|
| 885 | Q | 67.1 | Low | 68.1 | Low | 103 Ų | 103 | 42 Ų | 42 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | trans | -99.1 | 57.2 | -173.3 | -65.6 | -179.6 | -16.4 | 0 | 0 | 111.7 | S883 P887 V888 E889 | S883-Q885 PolarHBondContact O-N 2.81Å; S883-Q885 PolarHBondContact OG-N 2.92Å; S883-Q885 VanDerWaalsContact OG-N 3.15Å; Q885-P887 VanDerWaalsContact C-N 3.26Å; Q885-V888 HydrophobicContact CB-CB 4.17Å; Q885-V888 HydrophobicContact CB-CG2 4.03Å; Q885-V888 PolarHBondContact O-N 2.85Å; Q885-E889 PolarHBondContact O-N 2.9Å | ||
| 886 | I | 71.2 | Confident | 68.7 | Low | 55 Ų | 55 | 42 Ų | 42 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -47.9 | -41.2 | 175.5 | -63.8 | 169.4 | 0 | 0 | 0 | 113 | Q884 V888 E889 A890 L981 | Q884-I886 PolarHBondContact O-N 3.26Å; I886-V888 PolarHBondContact O-N 3.2Å; I886-E889 PolarHBondContact O-N 3.2Å; I886-A890 WeakPolarHBondContact O-CB 3.18Å; I886-A890 PolarHBondContact O-N 3.3Å; I886-L981 HydrophobicContact CG2-CD2 3.11Å |
| 887 | P | 72.9 | Confident | 69.6 | Low | 82 Ų | 82 | 42.7 Ų | 42.7 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.6 | -23.8 | 35.4 | 0 | 0 | 0 | 113.9 | Q885 A890 E891 | Q885-P887 VanDerWaalsContact C-N 3.26Å; P887-A890 PolarHBondContact O-N 3.46Å; P887-E891 WeakPolarHBondContact O-CB 3.36Å; P887-E891 PolarHBondContact O-N 3.49Å |
| 888 | V | 75.4 | Confident | 70.5 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | Q885 I886 E891 G892 | Q885-V888 HydrophobicContact CB-CB 4.17Å; Q885-V888 HydrophobicContact CB-CG2 4.03Å; Q885-V888 PolarHBondContact O-N 2.85Å; I886-V888 PolarHBondContact O-N 3.2Å; V888-E891 PolarHBondContact O-N 3.08Å; V888-G892 PolarHBondContact O-N 3.43Å |
| 889 | E | 74.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.3 | -70.3 | -178.5 | -163.9 | 0 | 0 | 111.6 | S880 S883 Q885 I886 E891 G892 I893 Y982 | S880-E889 VanDerWaalsContact O-OE1 3.13Å; S883-E889 WeakPolarHBondContact CB-OE1 3.28Å; S883-E889 PolarHBondContact OG-OE1 2.96Å; Q885-E889 PolarHBondContact O-N 2.9Å; I886-E889 PolarHBondContact O-N 3.2Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.07Å; E889-G892 PolarHBondContact O-N 2.69Å; E889-I893 VanDerWaalsContact O-CG1 3.28Å; E889-I893 WeakPolarHBondContact O-CG1 3.48Å; E889-I893 PolarHBondContact O-N 3.41Å; E889-Y982 PolarHBondContact OE2-OH 2.93Å |
| 890 | A | 76.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I886 P887 I893 V894 V985 F990 | I886-A890 WeakPolarHBondContact O-CB 3.18Å; I886-A890 PolarHBondContact O-N 3.3Å; P887-A890 PolarHBondContact O-N 3.46Å; A890-I893 PolarHBondContact O-N 2.77Å; A890-V894 VanDerWaalsContact O-CG2 3.25Å; A890-V894 WeakPolarHBondContact O-CG2 3.11Å; A890-V894 PolarHBondContact O-N 3.43Å; A890-V985 HydrophobicContact CB-CG2 4.37Å; A890-F990 HydrophobicContact CB-CE2 4.27Å; A890-F990 HydrophobicContact CB-CZ 4Å |
| 891 | E | 80.6 | Confident | 73.9 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 174.6 | -178.2 | 172.5 | -166.5 | 0 | 0 | 111.4 | P887 V888 E889 I893 V894 H895 | P887-E891 WeakPolarHBondContact O-CB 3.36Å; P887-E891 PolarHBondContact O-N 3.49Å; V888-E891 PolarHBondContact O-N 3.08Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.07Å; E891-I893 VanDerWaalsContact C-N 3.33Å; E891-I893 PolarHBondContact O-N 2.87Å; E891-V894 WeakPolarHBondContact O-CB 3.38Å; E891-V894 PolarHBondContact O-N 3.18Å; E891-V894 VanDerWaalsContact O-N 3.15Å; E891-H895 PolarHBondContact O-CD2 2.94Å; E891-H895 PolarHBondContact O-N 3.34Å; E891-H895 IonicContact OE1-NE2 3.78Å |
| 892 | G | 79.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S838 W841 V888 E889 H895 G896 | S838-G892 WeakPolarHBondContact O-CA 3.48Å; W841-G892 VanDerWaalsContact CB-CA 3.47Å; V888-G892 PolarHBondContact O-N 3.43Å; E889-G892 PolarHBondContact O-N 2.69Å; G892-H895 PolarHBondContact O-N 3.01Å; G892-G896 PolarHBondContact O-N 3.06Å |
| 893 | I | 78.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 173.1 | -64.3 | 164.3 | 0 | 0 | 0 | 110.5 | H879 E889 A890 E891 H895 G896 L897 F968 Y982 V985 | H879-I893 WeakPolarHBondContact CE1-CD1 3.34Å; H879-I893 WeakPolarHBondContact CE1-CG1 3.3Å; E889-I893 VanDerWaalsContact O-CG1 3.28Å; E889-I893 WeakPolarHBondContact O-CG1 3.48Å; E889-I893 PolarHBondContact O-N 3.41Å; A890-I893 PolarHBondContact O-N 2.77Å; E891-I893 VanDerWaalsContact C-N 3.33Å; E891-I893 PolarHBondContact O-N 2.87Å; I893-H895 VanDerWaalsContact C-N 3.27Å; I893-H895 PolarHBondContact O-N 3.07Å; I893-G896 PolarHBondContact O-N 3.48Å; I893-L897 VanDerWaalsContact O-CB 3.26Å; I893-L897 WeakPolarHBondContact O-CB 3.48Å; I893-L897 PolarHBondContact O-N 3.48Å; I893-F968 HydrophobicContact CG2-CE1 4.2Å; I893-F968 HydrophobicContact CG2-CZ 4.35Å; I893-Y982 HydrophobicContact CD1-CD1 3.48Å; I893-Y982 VanDerWaalsContact CD1-CD1 3.48Å; I893-Y982 HydrophobicContact CD1-CD2 4.3Å; I893-Y982 HydrophobicContact CD1-CE1 3.62Å; I893-Y982 HydrophobicContact CD1-CE2 4.38Å; I893-Y982 HydrophobicContact CD1-CG 3.88Å; I893-V985 HydrophobicContact CB-CG1 4.47Å; I893-V985 HydrophobicContact CG2-CG1 3.89Å |
| 894 | V | 82.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | -179.4 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | A890 E891 K898 V985 | A890-V894 VanDerWaalsContact O-CG2 3.25Å; A890-V894 WeakPolarHBondContact O-CG2 3.11Å; A890-V894 PolarHBondContact O-N 3.43Å; E891-V894 WeakPolarHBondContact O-CB 3.38Å; E891-V894 PolarHBondContact O-N 3.18Å; E891-V894 VanDerWaalsContact O-N 3.15Å; V894-K898 HydrophobicContact CG1-CD 3.94Å; V894-K898 HydrophobicContact CG1-CG 4.45Å; V894-K898 WeakPolarHBondContact O-CB 3.49Å; V894-K898 VanDerWaalsContact O-CG 3.27Å; V894-K898 WeakPolarHBondContact O-CG 3.26Å; V894-K898 PolarHBondContact O-N 3.18Å; V894-V985 HydrophobicContact CG2-CG1 3.51Å |
| 895 | H | 84.2 | Confident | 79.8 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 33% | 0.333 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67 | -45.8 | 178.2 | -82.7 | -85.3 | 0 | 0 | 0 | 112.7 | W841 E891 G892 I893 L897 K898 L899 | W841-H895 VanDerWaalsContact CD1-CB 3.43Å; W841-H895 AromaticContact CD1-CG 3.8Å; W841-H895 HydrophobicContact CD2-CB 4.05Å; W841-H895 VanDerWaalsContact CE2-CB 3.41Å; W841-H895 HydrophobicContact CG-CB 4.05Å; W841-H895 HydrophobicContact CZ2-CB 3.96Å; W841-H895 AromaticContact NE1-CG 3.6Å; E891-H895 PolarHBondContact O-CD2 2.94Å; E891-H895 PolarHBondContact O-N 3.34Å; E891-H895 IonicContact OE1-NE2 3.78Å; G892-H895 PolarHBondContact O-N 3.01Å; I893-H895 VanDerWaalsContact C-N 3.27Å; I893-H895 PolarHBondContact O-N 3.07Å; H895-L897 VanDerWaalsContact C-N 3.28Å; H895-L897 PolarHBondContact O-N 3.46Å; H895-K898 PolarHBondContact O-N 3.04Å; H895-L899 WeakPolarHBondContact O-CB 3.3Å; H895-L899 PolarHBondContact O-N 3.23Å |
| 896 | G | 83.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G892 I893 L899 I900 | G892-G896 PolarHBondContact O-N 3.06Å; I893-G896 PolarHBondContact O-N 3.48Å; G896-L899 PolarHBondContact O-N 3.04Å; G896-I900 PolarHBondContact O-N 3.45Å; G896-I900 VanDerWaalsContact O-N 3.11Å |
| 897 | L | 81.2 | Confident | 81 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.4 | -45.5 | 177.4 | -155.1 | 163.1 | 0 | 0 | 0 | 111 | I893 H895 L899 I900 Q901 L913 F968 F986 | I893-L897 VanDerWaalsContact O-CB 3.26Å; I893-L897 WeakPolarHBondContact O-CB 3.48Å; I893-L897 PolarHBondContact O-N 3.48Å; H895-L897 VanDerWaalsContact C-N 3.28Å; H895-L897 PolarHBondContact O-N 3.46Å; L897-L899 VanDerWaalsContact C-N 3.32Å; L897-L899 PolarHBondContact O-N 3.37Å; L897-I900 PolarHBondContact O-N 3.44Å; L897-Q901 VanDerWaalsContact CD2-CD 3.4Å; L897-Q901 HydrophobicContact CD2-CG 3.99Å; L897-Q901 WeakPolarHBondContact O-CB 3.46Å; L897-Q901 WeakPolarHBondContact O-CG 3.48Å; L897-Q901 PolarHBondContact O-N 3.3Å; L897-L913 HydrophobicContact CD2-CD2 4.43Å; L897-L913 HydrophobicContact CG-CD2 4.45Å; L897-F968 HydrophobicContact CB-CD1 4.44Å; L897-F968 HydrophobicContact CB-CE1 4.22Å; L897-F968 HydrophobicContact CB-CZ 4.35Å; L897-F968 HydrophobicContact CD1-CD1 4.39Å; L897-F968 HydrophobicContact CD1-CE1 4.31Å; L897-F968 HydrophobicContact CG-CD1 4.2Å; L897-F968 HydrophobicContact CG-CE1 4.33Å; L897-F986 HydrophobicContact CD1-CD1 3.35Å; L897-F986 HydrophobicContact CD1-CE1 3.31Å; L897-F986 HydrophobicContact CD1-CG 4.21Å; L897-F986 HydrophobicContact CD1-CZ 4.13Å; L897-F986 HydrophobicContact CG-CE1 4.3Å |
| 898 | K | 85 | Confident | 81.3 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 55% | 0.548 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 173.5 | -78.5 | 175.7 | 179.5 | 174 | 0 | 112.3 | V894 H895 Q901 R902 | V894-K898 HydrophobicContact CG1-CD 3.94Å; V894-K898 HydrophobicContact CG1-CG 4.45Å; V894-K898 WeakPolarHBondContact O-CB 3.49Å; V894-K898 VanDerWaalsContact O-CG 3.27Å; V894-K898 WeakPolarHBondContact O-CG 3.26Å; V894-K898 PolarHBondContact O-N 3.18Å; H895-K898 PolarHBondContact O-N 3.04Å; K898-Q901 PolarHBondContact O-N 2.99Å; K898-R902 WeakPolarHBondContact O-CB 3.49Å; K898-R902 PolarHBondContact O-N 2.98Å |
| 899 | L | 85 | Confident | 81.2 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -52.9 | 176.9 | 171.7 | 58.6 | 0 | 0 | 0 | 110.8 | W841 I848 E849 L852 H895 G896 L897 Q901 R902 L903 | W841-L899 HydrophobicContact CH2-CB 4.47Å; W841-L899 HydrophobicContact CH2-CD2 3.76Å; W841-L899 HydrophobicContact CZ2-CB 4.45Å; W841-L899 HydrophobicContact CZ2-CD2 4.17Å; I848-L899 HydrophobicContact CG2-CD2 4.06Å; E849-L899 HydrophobicContact CB-CD1 4.15Å; E849-L899 HydrophobicContact CB-CD2 4.31Å; E849-L899 HydrophobicContact CG-CD1 3.55Å; E849-L899 HydrophobicContact CG-CD2 3.52Å; E849-L899 HydrophobicContact CG-CG 4Å; L852-L899 HydrophobicContact CD1-CD2 3.85Å; H895-L899 WeakPolarHBondContact O-CB 3.3Å; H895-L899 PolarHBondContact O-N 3.23Å; G896-L899 PolarHBondContact O-N 3.04Å; L897-L899 VanDerWaalsContact C-N 3.32Å; L897-L899 PolarHBondContact O-N 3.37Å; L899-Q901 VanDerWaalsContact C-N 3.32Å; L899-Q901 PolarHBondContact O-N 3.06Å; L899-R902 PolarHBondContact O-N 3.33Å; L899-L903 HydrophobicContact CD1-CD1 3.76Å; L899-L903 HydrophobicContact CD1-CG 3.99Å; L899-L903 HydrophobicContact CG-CD1 3.98Å; L899-L903 WeakPolarHBondContact O-CG 3.43Å; L899-L903 PolarHBondContact O-N 3.06Å |
| 900 | I | 83 | Confident | 81 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -37 | -178.7 | -91.8 | -156.2 | 0 | 0 | 0 | 111.9 | L875 G896 L897 L903 A904 L911 L966 G967 F968 | L875-I900 HydrophobicContact CB-CD1 3.37Å; L875-I900 HydrophobicContact CB-CG1 4.2Å; L875-I900 HydrophobicContact CD2-CD1 4.06Å; L875-I900 HydrophobicContact CD2-CG1 3.96Å; L875-I900 HydrophobicContact CG-CD1 4.35Å; G896-I900 PolarHBondContact O-N 3.45Å; G896-I900 VanDerWaalsContact O-N 3.11Å; L897-I900 PolarHBondContact O-N 3.44Å; I900-L903 PolarHBondContact O-N 2.9Å; I900-A904 VanDerWaalsContact O-CB 3.28Å; I900-A904 WeakPolarHBondContact O-CB 3.46Å; I900-A904 PolarHBondContact O-N 3.08Å; I900-L911 HydrophobicContact CG2-CD1 3.1Å; I900-L911 HydrophobicContact CG2-CG 4.45Å; I900-L966 HydrophobicContact CG2-CB 4.43Å; I900-G967 WeakPolarHBondContact CD1-O 3.47Å; I900-F968 HydrophobicContact CD1-CB 4.22Å; I900-F968 HydrophobicContact CD1-CD2 4.39Å; I900-F968 HydrophobicContact CG2-CB 4.24Å |
| 901 | Q | 83.3 | Confident | 80.8 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.9 | -77.8 | 177 | -18.4 | 0 | 0 | 112 | L897 K898 L899 A904 Q905 L911 | L897-Q901 VanDerWaalsContact CD2-CD 3.4Å; L897-Q901 HydrophobicContact CD2-CG 3.99Å; L897-Q901 WeakPolarHBondContact O-CB 3.46Å; L897-Q901 WeakPolarHBondContact O-CG 3.48Å; L897-Q901 PolarHBondContact O-N 3.3Å; K898-Q901 PolarHBondContact O-N 2.99Å; L899-Q901 VanDerWaalsContact C-N 3.32Å; L899-Q901 PolarHBondContact O-N 3.06Å; Q901-A904 PolarHBondContact O-N 2.98Å; Q901-Q905 WeakPolarHBondContact O-CG 3.49Å; Q901-Q905 PolarHBondContact O-N 2.81Å; Q901-L911 HydrophobicContact CG-CD2 3.68Å |
| 902 | R | 85.8 | Confident | 79.8 | Confident | 147 Ų | 147 | 47.9 Ų | 47.9 | 56% | 0.555 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.1 | -49.6 | 176.4 | 179.9 | -176.9 | -74.4 | 155.9 | -5.1 | 110.9 | K898 L899 A904 Q905 D906 | K898-R902 WeakPolarHBondContact O-CB 3.49Å; K898-R902 PolarHBondContact O-N 2.98Å; L899-R902 PolarHBondContact O-N 3.33Å; R902-A904 VanDerWaalsContact C-N 3.28Å; R902-A904 PolarHBondContact O-N 2.81Å; R902-Q905 WeakPolarHBondContact O-CB 3.4Å; R902-Q905 PolarHBondContact O-N 3.48Å; R902-Q905 VanDerWaalsContact O-N 3.14Å; R902-D906 WeakPolarHBondContact CG-OD2 3.42Å; R902-D906 WeakPolarHBondContact O-CB 3.21Å; R902-D906 PolarHBondContact O-N 2.84Å |
| 903 | L | 83.7 | Confident | 78.8 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.8 | -70.5 | 170.5 | 0 | 0 | 0 | 112 | L852 L899 I900 Q905 D906 Y907 L966 | L852-L903 HydrophobicContact CB-CD1 3.65Å; L852-L903 HydrophobicContact CD1-CD1 4.42Å; L852-L903 HydrophobicContact CD2-CD1 4.39Å; L852-L903 HydrophobicContact CG-CD1 4.39Å; L899-L903 HydrophobicContact CD1-CD1 3.76Å; L899-L903 HydrophobicContact CD1-CG 3.99Å; L899-L903 HydrophobicContact CG-CD1 3.98Å; L899-L903 WeakPolarHBondContact O-CG 3.43Å; L899-L903 PolarHBondContact O-N 3.06Å; I900-L903 PolarHBondContact O-N 2.9Å; L903-Q905 VanDerWaalsContact C-N 3.31Å; L903-Q905 PolarHBondContact O-N 2.82Å; L903-D906 PolarHBondContact O-N 2.85Å; L903-Y907 HydrophobicContact CD2-CD2 4.3Å; L903-Y907 HydrophobicContact CD2-CE2 3.93Å; L903-Y907 WeakPolarHBondContact O-CB 3.38Å; L903-Y907 WeakPolarHBondContact O-CD2 3.4Å; L903-Y907 PolarHBondContact O-N 3.07Å; L903-L966 HydrophobicContact CB-CD1 3.66Å |
| 904 | A | 81 | Confident | 77.5 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I900 Q901 R902 S908 C909 L911 L966 | I900-A904 VanDerWaalsContact O-CB 3.28Å; I900-A904 WeakPolarHBondContact O-CB 3.46Å; I900-A904 PolarHBondContact O-N 3.08Å; Q901-A904 PolarHBondContact O-N 2.98Å; R902-A904 VanDerWaalsContact C-N 3.28Å; R902-A904 PolarHBondContact O-N 2.81Å; A904-S908 WeakPolarHBondContact O-CA 3.45Å; A904-S908 PolarHBondContact O-N 2.86Å; A904-C909 VanDerWaalsContact CA-SG 3.59Å; A904-C909 PolarHBondContact O-N 2.91Å; A904-L911 HydrophobicContact CB-CB 3.96Å; A904-L911 HydrophobicContact CB-CD1 4.45Å; A904-L966 HydrophobicContact CB-CD1 4.09Å |
| 905 | Q | 82.5 | Confident | 75.5 | Confident | 148 Ų | 148 | 56.7 Ų | 56.7 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69 | -49.6 | 174.2 | -70.4 | 174.8 | -3.2 | 0 | 0 | 111.7 | Q901 R902 L903 Y907 S908 | Q901-Q905 WeakPolarHBondContact O-CG 3.49Å; Q901-Q905 PolarHBondContact O-N 2.81Å; R902-Q905 WeakPolarHBondContact O-CB 3.4Å; R902-Q905 PolarHBondContact O-N 3.48Å; R902-Q905 VanDerWaalsContact O-N 3.14Å; L903-Q905 VanDerWaalsContact C-N 3.31Å; L903-Q905 PolarHBondContact O-N 2.82Å; Q905-Y907 PolarHBondContact O-N 3.46Å; Q905-S908 PolarHBondContact O-N 3.19Å; Q905-S908 VanDerWaalsContact O-N 3.16Å |
| 906 | D | 83.8 | Confident | 73.3 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.6 | -36.7 | -177.3 | -70 | -16.1 | 0 | 0 | 0 | 112.1 | R902 L903 | R902-D906 WeakPolarHBondContact CG-OD2 3.42Å; R902-D906 WeakPolarHBondContact O-CB 3.21Å; R902-D906 PolarHBondContact O-N 2.84Å; L903-D906 PolarHBondContact O-N 2.85Å |
| 907 | Y | 79.3 | Confident | 70.8 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 5.1 | -178.6 | -68.4 | -80.8 | 0 | 0 | 0 | 114.2 | S853 C856 S857 N860 L903 Q905 C909 F964 | S853-Y907 PolarHBondContact O-OH 3.3Å; S853-Y907 VanDerWaalsContact O-OH 3.12Å; C856-Y907 HydrophobicContact CB-CD1 4.14Å; C856-Y907 HydrophobicContact CB-CD2 3.48Å; C856-Y907 VanDerWaalsContact CB-CD2 3.48Å; C856-Y907 HydrophobicContact CB-CE1 3.99Å; C856-Y907 HydrophobicContact CB-CE2 3.31Å; C856-Y907 HydrophobicContact CB-CG 3.9Å; S857-Y907 WeakPolarHBondContact CB-OH 3.48Å; S857-Y907 PolarHBondContact N-OH 3.09Å; N860-Y907 HydrophobicContact CB-CD1 3.8Å; N860-Y907 HydrophobicContact CB-CE1 4Å; L903-Y907 HydrophobicContact CD2-CD2 4.3Å; L903-Y907 HydrophobicContact CD2-CE2 3.93Å; L903-Y907 WeakPolarHBondContact O-CB 3.38Å; L903-Y907 WeakPolarHBondContact O-CD2 3.4Å; L903-Y907 PolarHBondContact O-N 3.07Å; Q905-Y907 PolarHBondContact O-N 3.46Å; Y907-C909 PolarHBondContact O-N 3.41Å; Y907-F964 HydrophobicContact CG-CZ 4.07Å |
| 908 | S | 78.3 | Confident | 68.2 | Low | 91 Ų | 91 | 70.9 Ų | 70.9 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.7 | -179.3 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | A904 Q905 | A904-S908 WeakPolarHBondContact O-CA 3.45Å; A904-S908 PolarHBondContact O-N 2.86Å; Q905-S908 PolarHBondContact O-N 3.19Å; Q905-S908 VanDerWaalsContact O-N 3.16Å |
| 909 | C | 73.1 | Confident | 65.2 | Low | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | trans | -106.7 | 148.7 | -177.7 | 64 | 0 | 0 | 0 | 0 | 112 | A904 Y907 L911 F964 L966 | A904-C909 VanDerWaalsContact CA-SG 3.59Å; A904-C909 PolarHBondContact O-N 2.91Å; Y907-C909 PolarHBondContact O-N 3.41Å; C909-L911 PolarHBondContact O-N 3.18Å; C909-F964 HydrophobicContact CB-CD2 4.38Å; C909-F964 HydrophobicContact CB-CE2 4.17Å; C909-F964 HydrophobicContact CB-CZ 4.3Å; C909-F964 WeakPolarHBondContact CB-O 3.38Å; C909-L966 VanDerWaalsContact SG-CD1 3.53Å | ||
| 910 | P | 71.8 | Confident | 62.2 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | trans | -61.6 | 135.1 | 177.8 | 24.2 | -33.8 | 0 | 0 | 0 | 111.6 | I955 A962 S965 L966 | P910-I955 HydrophobicContact CB-CD1 3.55Å; P910-I955 HydrophobicContact CB-CG1 4.02Å; P910-I955 HydrophobicContact CG-CD1 4.48Å; P910-A962 VanDerWaalsContact CD-CB 3.45Å; P910-A962 HydrophobicContact CG-CB 4.09Å; P910-S965 WeakPolarHBondContact CG-OG 3.46Å; P910-L966 PolarHBondContact O-N 2.84Å | ||
| 911 | L | 71.4 | Confident | 59.2 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.7 | 178.1 | 176.8 | 61.1 | 0 | 0 | 0 | 110.6 | I900 Q901 A904 C909 L913 L966 | I900-L911 HydrophobicContact CG2-CD1 3.1Å; I900-L911 HydrophobicContact CG2-CG 4.45Å; Q901-L911 HydrophobicContact CG-CD2 3.68Å; A904-L911 HydrophobicContact CB-CB 3.96Å; A904-L911 HydrophobicContact CB-CD1 4.45Å; C909-L911 PolarHBondContact O-N 3.18Å; L911-L913 HydrophobicContact CD1-CD2 4.27Å; L911-L913 HydrophobicContact CD1-CG 4.46Å; L911-L913 HydrophobicContact CD2-CD1 3.97Å; L911-L913 HydrophobicContact CD2-CD2 4.18Å; L911-L913 HydrophobicContact CD2-CG 3.94Å; L911-L913 HydrophobicContact CG-CD1 4.49Å; L911-L913 HydrophobicContact CG-CD2 4.27Å; L911-L913 HydrophobicContact CG-CG 3.96Å; L911-L966 CarbonylContact C-O 3.57Å; L911-L966 WeakPolarHBondContact CA-O 3.48Å; L911-L966 HydrophobicContact CD1-CB 4.37Å |
| 912 | L | 60.5 | Low | 56.1 | Low | 54 Ų | 54 | 87.2 Ų | 87.2 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 101 | 174.7 | -63 | 170.3 | 0 | 0 | 0 | 109.1 | V872 M951 L966 G967 F968 | V872-L912 HydrophobicContact CG1-CD1 4.25Å; L912-M951 HydrophobicContact CD2-SD 3.78Å; L912-L966 PolarHBondContact N-O 3.26Å; L912-G967 CarbonylContact O-C 3.53Å; L912-G967 WeakPolarHBondContact O-CA 3.26Å; L912-F968 PolarHBondContact O-N 2.76Å |
| 913 | L | 58.2 | Low | 52.9 | Low | 73 Ų | 73 | 84.3 Ų | 84.3 | 38% | 0.382 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.2 | 167.8 | -63.1 | 172.3 | 0 | 0 | 0 | 107.7 | L897 L911 P915 F968 | L897-L913 HydrophobicContact CD2-CD2 4.43Å; L897-L913 HydrophobicContact CG-CD2 4.45Å; L911-L913 HydrophobicContact CD1-CD2 4.27Å; L911-L913 HydrophobicContact CD1-CG 4.46Å; L911-L913 HydrophobicContact CD2-CD1 3.97Å; L911-L913 HydrophobicContact CD2-CD2 4.18Å; L911-L913 HydrophobicContact CD2-CG 3.94Å; L911-L913 HydrophobicContact CG-CD1 4.49Å; L911-L913 HydrophobicContact CG-CD2 4.27Å; L911-L913 HydrophobicContact CG-CG 3.96Å; L913-P915 WeakPolarHBondContact O-CD 3.42Å; L913-F968 HydrophobicContact CD2-CB 4.01Å |
| 914 | S | 51.1 | Low | 49.8 | Very low | 52 Ų | 52 | 92.3 Ų | 92.3 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 117 | 166.1 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | S916 | S914-S916 PolarHBondContact O-N 2.99Š|
| 915 | P | 41.2 | Very low | 46.9 | Very low | 93 Ų | 93 | 100.8 Ų | 100.8 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 130.8 | 163.1 | 25 | -29 | 0 | 0 | 0 | 107.2 | L913 E917 | L913-P915 WeakPolarHBondContact O-CD 3.42Å; P915-E917 PolarHBondContact O-N 3.4Å |
| 916 | S | 36.6 | Very low | 43.9 | Very low | 52 Ų | 52 | 104.5 Ų | 104.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | trans | -72.7 | 64.8 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S914 Y918 | S914-S916 PolarHBondContact O-N 2.99Å; S916-Y918 PolarHBondContact O-N 3.21Å | ||
| 917 | E | 30.4 | Very low | 40.8 | Very low | 164 Ų | 164 | 108.9 Ų | 108.9 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | trans | -77.3 | 100.1 | 168.5 | -80.6 | -171.3 | 174.8 | 0 | 0 | 109.4 | P915 | P915-E917 PolarHBondContact O-N 3.4Š| ||
| 918 | Y | 27.1 | Very low | 38 | Very low | 170 Ų | 170 | 113.3 Ų | 113.3 | 67% | 0.667 | 57% | 0.568 | S | S | * | * | trans | -122.1 | 69.8 | 138.3 | -85.2 | -84.4 | 0 | 0 | 0 | 106.6 | S916 | S916-Y918 PolarHBondContact O-N 3.21Š| ||
| 919 | E | 22.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | trans | -78.5 | 125 | 153.7 | -113.4 | -165.8 | -168.7 | 0 | 0 | 106.6 | V921 | E919-V921 PolarHBondContact O-N 2.95Š| ||
| 920 | P | 22 | Very low | 32.8 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -68.8 | 83.8 | 169.6 | 28.5 | -30.7 | 0 | 0 | 0 | 106.8 | K922 | P920-K922 VanDerWaalsContact C-N 3.28Å; P920-K922 PolarHBondContact O-N 2.95Å | ||
| 921 | V | 19.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 126 Ų | 126 | 62% | 0.624 | 64% | 0.643 | S | S | * | * | trans | -61.4 | 100.8 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 106 | E919 V923 | E919-V921 PolarHBondContact O-N 2.95Å; V921-V923 HydrophobicContact CB-CG2 3.94Å; V921-V923 HydrophobicContact CG1-CB 4.38Å; V921-V923 HydrophobicContact CG1-CG2 3.34Å; V921-V923 PolarHBondContact O-N 2.82Å | ||
| 922 | K | 19.1 | Very low | 28 | Very low | 196 Ų | 196 | 129.3 Ų | 129.3 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | trans | -60 | 78.3 | 156 | -81.5 | 177.9 | 175.5 | 170.6 | 0 | 106 | P920 Q924 | P920-K922 VanDerWaalsContact C-N 3.28Å; P920-K922 PolarHBondContact O-N 2.95Å; K922-Q924 PolarHBondContact O-N 3.26Å | ||
| 923 | V | 18.6 | Very low | 26 | Very low | 86 Ų | 86 | 130 Ų | 130 | 52% | 0.521 | 69% | 0.689 | S | S | . | * | trans | -68.9 | 88.7 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 105.9 | V921 F925 | V921-V923 HydrophobicContact CB-CG2 3.94Å; V921-V923 HydrophobicContact CG1-CB 4.38Å; V921-V923 HydrophobicContact CG1-CG2 3.34Å; V921-V923 PolarHBondContact O-N 2.82Å; V923-F925 HydrophobicContact CG1-CD1 4.3Å; V923-F925 HydrophobicContact CG1-CE1 4.24Å; V923-F925 HydrophobicContact CG1-CZ 4.46Å; V923-F925 WeakPolarHBondContact O-CD2 3.38Å; V923-F925 PolarHBondContact O-N 2.78Å | ||
| 924 | Q | 18.1 | Very low | 24.2 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -60.8 | 103.8 | 158.3 | -85.5 | -177 | -19.5 | 0 | 0 | 106.6 | K922 R926 | K922-Q924 PolarHBondContact O-N 3.26Å; Q924-R926 VanDerWaalsContact C-N 3.28Å; Q924-R926 PolarHBondContact O-N 3.41Å | ||
| 925 | F | 20.3 | Very low | 22.7 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | trans | -64.3 | 88.6 | 171.9 | -65.9 | -81.6 | 0 | 0 | 0 | 109.6 | V923 K927 | V923-F925 HydrophobicContact CG1-CD1 4.3Å; V923-F925 HydrophobicContact CG1-CE1 4.24Å; V923-F925 HydrophobicContact CG1-CZ 4.46Å; V923-F925 WeakPolarHBondContact O-CD2 3.38Å; V923-F925 PolarHBondContact O-N 2.78Å; F925-K927 PolarHBondContact O-N 2.91Å | ||
| 926 | R | 18.1 | Very low | 21.8 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -79.9 | 103.8 | 158.9 | -96.8 | -171.9 | 175.5 | 176.2 | 0.4 | 108 | Q924 N928 | Q924-R926 VanDerWaalsContact C-N 3.28Å; Q924-R926 PolarHBondContact O-N 3.41Å; R926-N928 PolarHBondContact O-N 3.17Å; R926-N928 VanDerWaalsContact O-N 3.08Å | ||
| 927 | K | 19.7 | Very low | 21 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | trans | -53.3 | 107.2 | 164.7 | -82.7 | 175.7 | 172.1 | 172.5 | 0 | 109.1 | F925 | F925-K927 PolarHBondContact O-N 2.91Š| ||
| 928 | N | 20.9 | Very low | 20.5 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -93.4 | 106.6 | 150.4 | -78.1 | -5.1 | 0 | 0 | 0 | 106.9 | R926 I930 | R926-N928 PolarHBondContact O-N 3.17Å; R926-N928 VanDerWaalsContact O-N 3.08Å; N928-I930 PolarHBondContact O-N 3.25Å; N928-I930 VanDerWaalsContact O-N 3.08Å | ||
| 929 | S | 20.4 | Very low | 20.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -56.2 | 105.7 | 167.1 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | S931 | S929-S931 VanDerWaalsContact C-N 3.33Å; S929-S931 PolarHBondContact O-N 2.91Å | ||
| 930 | I | 21.9 | Very low | 20.2 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -78.5 | 94.2 | 169.8 | -61.9 | 170.8 | 0 | 0 | 0 | 106 | N928 | N928-I930 PolarHBondContact O-N 3.25Å; N928-I930 VanDerWaalsContact O-N 3.08Å | ||
| 931 | S | 21.5 | Very low | 20.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -64.6 | 135.1 | 163.1 | 48 | 0 | 0 | 0 | 0 | 109.3 | S929 | S929-S931 VanDerWaalsContact C-N 3.33Å; S929-S931 PolarHBondContact O-N 2.91Å | ||
| 932 | S | 20.9 | Very low | 20.3 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -30.1 | 126.5 | 164.5 | 51.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 933 | G | 18.5 | Very low | 20.4 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 59.6 | 139.4 | 118.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 934 | V | 19.7 | Very low | 20.5 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 101.8 | 127.7 | 156.5 | -171.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 935 | S | 20 | Very low | 20.5 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 71.2 | 144.3 | 164.2 | 68.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 936 | T | 21.5 | Very low | 20.4 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | cis | -173.6 | 142.1 | -8 | 20 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 937 | E | 19.5 | Very low | 20.5 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 51.8 | 116.5 | 144.6 | -61.1 | 178.1 | 164.8 | 0 | 0 | 119.8 | ||||
| 938 | C | 19.7 | Very low | 20.4 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 61.3 | 97.2 | 130.3 | -151.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 939 | E | 22.2 | Very low | 20.4 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | -171.8 | 140.8 | 124.3 | -102.4 | 167.8 | -167.7 | 0 | 0 | 110.5 | D941 | E939-D941 PolarHBondContact O-N 3.22Š| |||
| 940 | S | 21.2 | Very low | 20.4 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -67.9 | 108.5 | 180 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 941 | D | 21.4 | Very low | 20.4 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -138.8 | 121.2 | 164.5 | -95.3 | -33.8 | 0 | 0 | 0 | 111.9 | E939 T943 | E939-D941 PolarHBondContact O-N 3.22Å; D941-T943 PolarHBondContact O-N 3.24Å; D941-T943 PolarHBondContact O-OG1 3.32Å | ||
| 942 | H | 22.3 | Very low | 20.5 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 89% | 0.889 | 74% | 0.744 | S | S | * | * | trans | -50.7 | 92.4 | 176.3 | -63.5 | -80.8 | 0 | 0 | 0 | 111.7 | ||||
| 943 | T | 21.2 | Very low | 20.6 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | trans | -142.9 | 122 | 175.3 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | D941 | D941-T943 PolarHBondContact O-N 3.24Å; D941-T943 PolarHBondContact O-OG1 3.32Å | ||
| 944 | N | 21.2 | Very low | 20.9 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 71.5 | 66.2 | 153.4 | -53.5 | -28 | 0 | 0 | 0 | 116.5 | F946 | N944-F946 PolarHBondContact O-N 3.06Å; N944-F946 VanDerWaalsContact O-N 3.11Å | ||
| 945 | S | 18.7 | Very low | 21.1 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -66.5 | 109.9 | 155.6 | 69.9 | 0 | 0 | 0 | 0 | 108.4 | F947 | S945-F947 PolarHBondContact O-N 2.65Š| ||
| 946 | F | 18.9 | Very low | 21.6 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | -24.8 | 118.5 | 155.2 | -88.7 | -112.6 | 0 | 0 | 0 | 111.7 | N944 H948 | N944-F946 PolarHBondContact O-N 3.06Å; N944-F946 VanDerWaalsContact O-N 3.11Å; F946-H948 PolarHBondContact O-N 3.49Å | ||
| 947 | F | 18.9 | Very low | 22.2 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -71.9 | 64.8 | 159.6 | -72.2 | -84.2 | 0 | 0 | 0 | 108.2 | S945 L949 | S945-F947 PolarHBondContact O-N 2.65Å; F947-L949 PolarHBondContact O-N 2.99Å | ||
| 948 | H | 18.8 | Very low | 22.8 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | trans | -51.8 | 135.4 | 148.2 | -121 | -80.3 | 0 | 0 | 0 | 105.4 | F946 N950 | F946-H948 PolarHBondContact O-N 3.49Å; H948-N950 VanDerWaalsContact C-N 3.3Å; H948-N950 WeakPolarHBondContact O-CA 3.44Å; H948-N950 PolarHBondContact O-N 2.93Å | ||
| 949 | L | 19.5 | Very low | 23.6 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | trans | -30.2 | 102.8 | 157.6 | -88.4 | 147.9 | 0 | 0 | 0 | 107.7 | F947 M951 | F947-L949 PolarHBondContact O-N 2.99Å; L949-M951 PolarHBondContact O-N 3.48Å | ||
| 950 | N | 20.5 | Very low | 24.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | trans | -77.6 | 70 | -174.8 | -145.1 | -2.3 | 0 | 0 | 0 | 104.7 | H948 C952 | H948-N950 VanDerWaalsContact C-N 3.3Å; H948-N950 WeakPolarHBondContact O-CA 3.44Å; H948-N950 PolarHBondContact O-N 2.93Å; N950-C952 PolarHBondContact O-N 3.01Å | ||
| 951 | M | 22.7 | Very low | 26 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | trans | -45.6 | 95.4 | 141.9 | -74.5 | -74.2 | -168.8 | 0 | 0 | 103.1 | L912 L949 E953 | L912-M951 HydrophobicContact CD2-SD 3.78Å; L949-M951 PolarHBondContact O-N 3.48Å; M951-E953 PolarHBondContact O-N 3.25Å | ||
| 952 | C | 22.9 | Very low | 27.3 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 47% | 0.466 | 64% | 0.643 | S | S | . | * | trans | -31.9 | 115 | -172.2 | -76.1 | 0 | 0 | 0 | 0 | 108.9 | N950 N954 I955 | N950-C952 PolarHBondContact O-N 3.01Å; C952-N954 PolarHBondContact O-N 3.01Å; C952-I955 HydrophobicContact CB-CG1 4.44Å; C952-I955 WeakPolarHBondContact O-CG1 3.45Å; C952-I955 PolarHBondContact O-N 3.18Å | ||
| 953 | E | 23.2 | Very low | 29.4 | Very low | 166 Ų | 166 | 117 Ų | 117 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -55.7 | -11.1 | 177.4 | -79 | -173.9 | 144 | 0 | 0 | 112.2 | M951 I955 Q956 | M951-E953 PolarHBondContact O-N 3.25Å; E953-I955 PolarHBondContact O-N 2.97Å; E953-Q956 PolarHBondContact O-N 3.43Å |
| 954 | N | 24.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -66.3 | -12.7 | 167.1 | -76.5 | -20.8 | 0 | 0 | 0 | 115.2 | C952 Q956 S957 | C952-N954 PolarHBondContact O-N 3.01Å; N954-Q956 VanDerWaalsContact C-N 3.31Å; N954-Q956 PolarHBondContact O-N 3.09Å; N954-S957 PolarHBondContact O-N 2.93Å; N954-S957 PolarHBondContact O-OG 3.14Å |
| 955 | I | 25.2 | Very low | 33.8 | Very low | 31 Ų | 31 | 105.6 Ų | 105.6 | 16% | 0.159 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -76.6 | -15.7 | 178.8 | -61.6 | 174 | 0 | 0 | 0 | 112.2 | P910 C952 E953 S957 I958 K959 | P910-I955 HydrophobicContact CB-CD1 3.55Å; P910-I955 HydrophobicContact CB-CG1 4.02Å; P910-I955 HydrophobicContact CG-CD1 4.48Å; C952-I955 HydrophobicContact CB-CG1 4.44Å; C952-I955 WeakPolarHBondContact O-CG1 3.45Å; C952-I955 PolarHBondContact O-N 3.18Å; E953-I955 PolarHBondContact O-N 2.97Å; I955-S957 PolarHBondContact O-N 3.24Å; I955-S957 VanDerWaalsContact O-N 3.14Å; I955-I958 PolarHBondContact O-N 3.4Å; I955-K959 HydrophobicContact CG2-CG 4.02Å; I955-K959 WeakPolarHBondContact O-CB 3.35Å; I955-K959 PolarHBondContact O-N 2.82Å |
| 956 | Q | 29.3 | Very low | 36.4 | Very low | 173 Ų | 173 | 100.5 Ų | 100.5 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -60 | -25.3 | 168.7 | -88.6 | -179.6 | -4.1 | 0 | 0 | 112.1 | E953 N954 | E953-Q956 PolarHBondContact O-N 3.43Å; N954-Q956 VanDerWaalsContact C-N 3.31Å; N954-Q956 PolarHBondContact O-N 3.09Å |
| 957 | S | 33.9 | Very low | 38.7 | Very low | 99 Ų | 99 | 91.8 Ų | 91.8 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -82.7 | -17.4 | 172.2 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | N954 I955 | N954-S957 PolarHBondContact O-N 2.93Å; N954-S957 PolarHBondContact O-OG 3.14Å; I955-S957 PolarHBondContact O-N 3.24Å; I955-S957 VanDerWaalsContact O-N 3.14Å |
| 958 | I | 33.3 | Very low | 41.1 | Very low | 51 Ų | 51 | 82.1 Ų | 82.1 | 26% | 0.262 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -15.7 | -174.2 | -55.8 | 176.3 | 0 | 0 | 0 | 112.7 | I955 D960 S961 A962 | I955-I958 PolarHBondContact O-N 3.4Å; I958-D960 PolarHBondContact O-N 3.16Å; I958-S961 PolarHBondContact O-N 3.46Å; I958-A962 HydrophobicContact CG2-CB 3.77Å; I958-A962 PolarHBondContact O-N 3.26Å; I958-A962 VanDerWaalsContact O-N 3.14Å |
| 959 | K | 36.3 | Very low | 43.2 | Very low | 140 Ų | 140 | 76.3 Ų | 76.3 | 61% | 0.609 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -26.3 | -179.7 | -113 | 174.5 | -174.9 | -176.6 | 0 | 113.6 | I955 | I955-K959 HydrophobicContact CG2-CG 4.02Å; I955-K959 WeakPolarHBondContact O-CB 3.35Å; I955-K959 PolarHBondContact O-N 2.82Å |
| 960 | D | 44.9 | Very low | 45.4 | Very low | 162 Ų | 162 | 70.6 Ų | 70.6 | 87% | 0.866 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.9 | -178.2 | -66.4 | -15.4 | 0 | 0 | 0 | 114.2 | I958 | I958-D960 PolarHBondContact O-N 3.16Š|
| 961 | S | 48.1 | Very low | 47.1 | Very low | 88 Ų | 88 | 65.3 Ų | 65.3 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.7 | -15.1 | 178.8 | 65 | 0 | 0 | 0 | 0 | 117.3 | I958 K963 | I958-S961 PolarHBondContact O-N 3.46Å; S961-K963 PolarHBondContact O-N 2.99Å |
| 962 | A | 49.9 | Very low | 48.6 | Very low | 15 Ų | 15 | 60.8 Ų | 60.8 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | trans | -70.4 | 118.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P910 I958 | P910-A962 VanDerWaalsContact CD-CB 3.45Å; P910-A962 HydrophobicContact CG-CB 4.09Å; I958-A962 HydrophobicContact CG2-CB 3.77Å; I958-A962 PolarHBondContact O-N 3.26Å; I958-A962 VanDerWaalsContact O-N 3.14Å | ||
| 963 | K | 64.9 | Low | 49.7 | Very low | 56 Ų | 56 | 63.3 Ų | 63.3 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -80.8 | -21.9 | -179.9 | -65.7 | 170.8 | -173.9 | 164.6 | 0 | 113.8 | F859 N860 N862 P871 S961 | F859-K963 VanDerWaalsContact O-CD 3.31Å; F859-K963 WeakPolarHBondContact O-CD 3.46Å; N860-K963 PolarHBondContact O-NZ 3.33Å; N860-K963 PolarHBondContact OD1-NZ 2.72Å; N862-K963 WeakPolarHBondContact OD1-CE 3.48Å; N862-K963 PolarHBondContact OD1-NZ 3.39Å; P871-K963 VanDerWaalsContact CD-O 3.26Å; P871-K963 WeakPolarHBondContact CD-O 3.35Å; P871-K963 WeakPolarHBondContact CG-O 3.46Å; S961-K963 PolarHBondContact O-N 2.99Å |
| 964 | F | 69.7 | Low | 50.9 | Low | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | trans | -159.2 | 167.9 | 178.4 | 63.7 | -81.6 | 0 | 0 | 0 | 109.7 | C856 F859 P871 I873 Y907 C909 L966 | C856-F964 HydrophobicContact CB-CE2 4.3Å; C856-F964 HydrophobicContact CB-CZ 3.78Å; F859-F964 HydrophobicContact CB-CB 4.43Å; F859-F964 HydrophobicContact CB-CD1 3.36Å; F859-F964 HydrophobicContact CB-CE1 3.7Å; F859-F964 HydrophobicContact CB-CG 4Å; F859-F964 HydrophobicContact CD1-CB 4.34Å; F859-F964 HydrophobicContact CG-CB 4.33Å; F859-F964 HydrophobicContact CG-CD1 4.12Å; F859-F964 HydrophobicContact CG-CG 4.28Å; P871-F964 HydrophobicContact CG-CB 3.94Å; P871-F964 CarbonylContact O-C 3.54Å; P871-F964 WeakPolarHBondContact O-CA 3.43Å; P871-F964 WeakPolarHBondContact O-CB 3.21Å; I873-F964 HydrophobicContact CD1-CD2 3.89Å; I873-F964 HydrophobicContact CD1-CE2 4.21Å; Y907-F964 HydrophobicContact CG-CZ 4.07Å; C909-F964 HydrophobicContact CB-CD2 4.38Å; C909-F964 HydrophobicContact CB-CE2 4.17Å; C909-F964 HydrophobicContact CB-CZ 4.3Å; C909-F964 WeakPolarHBondContact CB-O 3.38Å; F964-L966 HydrophobicContact CD2-CD2 4.06Å; F964-L966 HydrophobicContact CD2-CG 4.18Å; F964-L966 HydrophobicContact CE2-CD1 4.22Å; F964-L966 HydrophobicContact CE2-CD2 3.75Å; F964-L966 HydrophobicContact CE2-CG 3.78Å | ||
| 965 | S | 65 | Low | 52.3 | Low | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.7 | 172.6 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | I870 P871 V872 I873 P910 | I870-S965 WeakPolarHBondContact CG2-OG 3.45Å; P871-S965 PolarHBondContact O-N 2.87Å; V872-S965 CarbonylContact C-O 3.59Å; V872-S965 WeakPolarHBondContact CA-O 3.19Å; I873-S965 PolarHBondContact N-O 3.36Å; P910-S965 WeakPolarHBondContact CG-OG 3.46Å |
| 966 | L | 73.1 | Confident | 53.5 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.4 | 172.1 | -68.4 | 177.4 | 0 | 0 | 0 | 109.6 | I873 I900 L903 A904 C909 P910 L911 L912 F964 | I873-L966 HydrophobicContact CB-CD2 3.8Å; I873-L966 HydrophobicContact CD1-CD2 3.97Å; I873-L966 HydrophobicContact CG1-CD2 4.41Å; I873-L966 HydrophobicContact CG2-CD2 4.29Å; I873-L966 CarbonylContact O-C 3.52Å; I873-L966 WeakPolarHBondContact O-CA 3.25Å; I900-L966 HydrophobicContact CG2-CB 4.43Å; L903-L966 HydrophobicContact CB-CD1 3.66Å; A904-L966 HydrophobicContact CB-CD1 4.09Å; C909-L966 VanDerWaalsContact SG-CD1 3.53Å; P910-L966 PolarHBondContact O-N 2.84Å; L911-L966 CarbonylContact C-O 3.57Å; L911-L966 WeakPolarHBondContact CA-O 3.48Å; L911-L966 HydrophobicContact CD1-CB 4.37Å; L912-L966 PolarHBondContact N-O 3.26Å; F964-L966 HydrophobicContact CD2-CD2 4.06Å; F964-L966 HydrophobicContact CD2-CG 4.18Å; F964-L966 HydrophobicContact CE2-CD1 4.22Å; F964-L966 HydrophobicContact CE2-CD2 3.75Å; F964-L966 HydrophobicContact CE2-CG 3.78Å |
| 967 | G | 67.5 | Low | 55.1 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I873 L874 L875 I900 L912 | I873-G967 PolarHBondContact O-N 3.46Å; L874-G967 WeakPolarHBondContact CA-O 3.13Å; L875-G967 PolarHBondContact N-O 3.23Å; I900-G967 WeakPolarHBondContact CD1-O 3.47Å; L912-G967 CarbonylContact O-C 3.53Å; L912-G967 WeakPolarHBondContact O-CA 3.26Å |
| 968 | F | 69.9 | Low | 56.4 | Low | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.6 | 173.8 | -172.3 | -97.4 | 0 | 0 | 0 | 110.1 | Y836 L875 A877 I893 L897 I900 L912 L913 F986 | Y836-F968 HydrophobicContact CE1-CE2 4.19Å; Y836-F968 WeakPolarHBondContact OH-CE2 3.43Å; Y836-F968 WeakPolarHBondContact OH-CZ 3.47Å; L875-F968 HydrophobicContact CB-CD2 4.22Å; L875-F968 HydrophobicContact CD2-CD2 3.98Å; L875-F968 HydrophobicContact CD2-CE2 4.03Å; L875-F968 HydrophobicContact CG-CD2 4.22Å; L875-F968 HydrophobicContact CG-CE2 4.36Å; L875-F968 WeakPolarHBondContact O-CA 3.37Å; A877-F968 HydrophobicContact CB-CE2 4.33Å; A877-F968 HydrophobicContact CB-CZ 3.82Å; I893-F968 HydrophobicContact CG2-CE1 4.2Å; I893-F968 HydrophobicContact CG2-CZ 4.35Å; L897-F968 HydrophobicContact CB-CD1 4.44Å; L897-F968 HydrophobicContact CB-CE1 4.22Å; L897-F968 HydrophobicContact CB-CZ 4.35Å; L897-F968 HydrophobicContact CD1-CD1 4.39Å; L897-F968 HydrophobicContact CD1-CE1 4.31Å; L897-F968 HydrophobicContact CG-CD1 4.2Å; L897-F968 HydrophobicContact CG-CE1 4.33Å; I900-F968 HydrophobicContact CD1-CB 4.22Å; I900-F968 HydrophobicContact CD1-CD2 4.39Å; I900-F968 HydrophobicContact CG2-CB 4.24Å; L912-F968 PolarHBondContact O-N 2.76Å; L913-F968 HydrophobicContact CD2-CB 4.01Å; F968-F986 AromaticContact CD1-CE1 3.78Å; F968-F986 HydrophobicContact CD1-CE1 3.78Å; F968-F986 AromaticContact CD1-CZ 3.86Å; F968-F986 HydrophobicContact CD1-CZ 3.86Å; F968-F986 AromaticContact CE1-CE1 3.99Å; F968-F986 HydrophobicContact CE1-CE1 3.99Å; F968-F986 AromaticContact CE1-CZ 3.72Å; F968-F986 HydrophobicContact CE1-CZ 3.72Å |
| 969 | L | 63.5 | Low | 57.7 | Low | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.9 | 176 | -179.6 | 66.4 | 0 | 0 | 0 | 109.3 | I757 L874 L875 V876 A877 V971 | I757-L969 HydrophobicContact CD1-CD2 3.81Å; L874-L969 HydrophobicContact CD1-CB 4.32Å; L875-L969 PolarHBondContact O-N 3.38Å; V876-L969 CarbonylContact C-O 3.59Å; V876-L969 WeakPolarHBondContact CA-O 3.18Å; V876-L969 HydrophobicContact CG1-CB 4.43Å; V876-L969 HydrophobicContact CG1-CD2 4.32Å; V876-L969 HydrophobicContact CG1-CG 4.46Å; V876-L969 HydrophobicContact CG2-CB 4.33Å; A877-L969 PolarHBondContact N-O 2.85Å; L969-V971 HydrophobicContact CD2-CG2 3.81Å; L969-V971 HydrophobicContact CG-CG2 3.78Å |
| 970 | S | 65.8 | Low | 59 | Low | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.8 | 173.8 | -148.9 | 0 | 0 | 0 | 0 | 108.9 | A877 H879 | A877-S970 WeakPolarHBondContact O-CA 3.28Å; H879-S970 PolarHBondContact CE1-OG 2.93Å; H879-S970 PolarHBondContact NE2-OG 3.03Å |
| 971 | V | 55.8 | Low | 60.1 | Low | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.1 | -174.2 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | I757 L758 V876 A877 F878 H879 L969 | I757-V971 HydrophobicContact CG2-CB 4.14Å; I757-V971 HydrophobicContact CG2-CG1 3.95Å; I757-V971 HydrophobicContact CG2-CG2 3.82Å; L758-V971 HydrophobicContact CD2-CG1 3.34Å; L758-V971 HydrophobicContact CG-CG1 3.66Å; V876-V971 HydrophobicContact CG1-CG2 3.98Å; A877-V971 PolarHBondContact O-N 3.24Å; F878-V971 HydrophobicContact CD1-CB 4.36Å; F878-V971 HydrophobicContact CE1-CB 4.45Å; H879-V971 PolarHBondContact CD2-O 3.3Å; H879-V971 PolarHBondContact N-O 2.75Å; H879-V971 VanDerWaalsContact N-O 3.13Å; L969-V971 HydrophobicContact CD2-CG2 3.81Å; L969-V971 HydrophobicContact CG-CG2 3.78Å |
| 972 | S | 54 | Low | 61.1 | Low | 31 Ų | 31 | 41.5 Ų | 41.5 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.7 | -176.4 | -153.8 | 0 | 0 | 0 | 0 | 111.9 | L758 H879 S974 Y982 | L758-S972 WeakPolarHBondContact CD2-O 3.26Å; H879-S972 VanDerWaalsContact CD2-CB 3.41Å; H879-S972 WeakPolarHBondContact CD2-CB 3.05Å; H879-S972 PolarHBondContact CD2-OG 3.18Å; S972-S974 PolarHBondContact O-N 3Å; S972-S974 WeakPolarHBondContact OG-CB 3.12Å; S972-Y982 WeakPolarHBondContact OG-CE2 3.36Å |
| 973 | R | 46.4 | Very low | 61.8 | Low | 122 Ų | 122 | 43.3 Ų | 43.3 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | trans | -87.8 | 33.6 | 167.4 | -62.9 | -170.1 | 90 | 146.2 | 5.6 | 112.1 | L758 C761 N762 | L758-R973 HydrophobicContact CD2-CG 3.78Å; C761-R973 HydrophobicContact CB-CG 4.15Å; C761-R973 PolarHBondContact O-NH1 3.45Å; N762-R973 VanDerWaalsContact CA-NH1 3.25Å; N762-R973 VanDerWaalsContact OD1-CZ 3.24Å; N762-R973 PolarHBondContact OD1-NH1 2.69Å; N762-R973 PolarHBondContact OD1-NH2 3.27Å | ||
| 974 | S | 48 | Very low | 61.9 | Low | 31 Ų | 31 | 46 Ų | 46 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | trans | -80.8 | 147.1 | -152.2 | 115.5 | 0 | 0 | 0 | 0 | 114.1 | S972 R978 A979 | S972-S974 PolarHBondContact O-N 3Å; S972-S974 WeakPolarHBondContact OG-CB 3.12Å; S974-R978 WeakPolarHBondContact OG-CB 3.45Å; S974-A979 WeakPolarHBondContact OG-CA 3.38Å; S974-A979 VanDerWaalsContact OG-CB 3.32Å; S974-A979 WeakPolarHBondContact OG-CB 3.19Å; S974-A979 PolarHBondContact OG-N 2.67Å | ||
| 975 | D | 53.4 | Low | 61.9 | Low | 106 Ų | 106 | 46.4 Ų | 46.4 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | trans | -65 | 154.8 | 156.4 | -35.5 | -48.7 | 0 | 0 | 0 | 109 | V977 R978 A979 | D975-V977 PolarHBondContact O-N 3.02Å; D975-R978 PolarHBondContact O-N 3.05Å; D975-R978 IonicContact OD2-NH1 2.81Å; D975-R978 PolarHBondContact OD2-NH1 3.15Å; D975-A979 PolarHBondContact O-N 3.12Å | ||
| 976 | D | 51.4 | Low | 61.9 | Low | 144 Ų | 144 | 48 Ų | 48 | 77% | 0.77 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -48 | -32.8 | -173 | -64.2 | -30.1 | 0 | 0 | 0 | 114 | A979 E980 | D976-A979 PolarHBondContact O-N 2.75Å; D976-E980 WeakPolarHBondContact O-CB 3.44Å; D976-E980 PolarHBondContact O-N 2.81Å |
| 977 | V | 61.6 | Low | 61.7 | Low | 116 Ų | 116 | 53 Ų | 53 | 70% | 0.703 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 113 | D975 L981 | D975-V977 PolarHBondContact O-N 3.02Å; V977-L981 WeakPolarHBondContact O-CB 3.4Å; V977-L981 PolarHBondContact O-N 2.88Å |
| 978 | R | 61.8 | Low | 61.5 | Low | 38 Ų | 38 | 55.6 Ų | 55.6 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.6 | -33.6 | -179.6 | -79.8 | -176.3 | 178.8 | 105 | -10.8 | 111.2 | G881 S883 S974 D975 E980 L981 Y982 | G881-R978 PolarHBondContact O-NH2 2.99Å; S883-R978 PolarHBondContact O-NH2 3.15Å; S883-R978 VanDerWaalsContact O-NH2 3.08Å; S974-R978 WeakPolarHBondContact OG-CB 3.45Å; D975-R978 PolarHBondContact O-N 3.05Å; D975-R978 IonicContact OD2-NH1 2.81Å; D975-R978 PolarHBondContact OD2-NH1 3.15Å; R978-E980 VanDerWaalsContact C-N 3.33Å; R978-L981 PolarHBondContact O-N 2.77Å; R978-Y982 HydrophobicContact CB-CE2 4.23Å; R978-Y982 WeakPolarHBondContact O-CB 3.48Å; R978-Y982 VanDerWaalsContact O-CD2 3.26Å; R978-Y982 WeakPolarHBondContact O-CD2 3.37Å; R978-Y982 PolarHBondContact O-N 2.75Å |
| 979 | A | 60.7 | Low | 60.9 | Low | 42 Ų | 42 | 61.5 Ų | 61.5 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S974 D975 D976 Y982 K983 | S974-A979 WeakPolarHBondContact OG-CA 3.38Å; S974-A979 VanDerWaalsContact OG-CB 3.32Å; S974-A979 WeakPolarHBondContact OG-CB 3.19Å; S974-A979 PolarHBondContact OG-N 2.67Å; D975-A979 PolarHBondContact O-N 3.12Å; D976-A979 PolarHBondContact O-N 2.75Å; A979-Y982 PolarHBondContact O-N 2.78Å; A979-K983 WeakPolarHBondContact O-CB 3.46Å; A979-K983 PolarHBondContact O-N 2.86Å |
| 980 | E | 64.1 | Low | 60.5 | Low | 74 Ų | 74 | 62.3 Ų | 62.3 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.5 | -172.4 | 61.6 | -164.1 | 0 | 0 | 112.2 | D976 R978 Y982 K983 R984 | D976-E980 WeakPolarHBondContact O-CB 3.44Å; D976-E980 PolarHBondContact O-N 2.81Å; R978-E980 VanDerWaalsContact C-N 3.33Å; E980-Y982 PolarHBondContact O-N 2.83Å; E980-K983 WeakPolarHBondContact O-CB 3.46Å; E980-K983 PolarHBondContact O-N 3.31Å; E980-R984 WeakPolarHBondContact O-CG 3.45Å; E980-R984 PolarHBondContact O-N 3.41Å; E980-R984 IonicContact OE1-NE 3.9Å |
| 981 | L | 67.5 | Low | 59.7 | Low | 22 Ų | 22 | 66.3 Ų | 66.3 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 175.3 | -172.7 | 76 | 0 | 0 | 0 | 111.7 | I886 V977 R978 K983 R984 V985 F990 W993 | I886-L981 HydrophobicContact CG2-CD2 3.11Å; V977-L981 WeakPolarHBondContact O-CB 3.4Å; V977-L981 PolarHBondContact O-N 2.88Å; R978-L981 PolarHBondContact O-N 2.77Å; L981-K983 VanDerWaalsContact C-N 3.34Å; L981-R984 WeakPolarHBondContact O-CB 3.42Å; L981-R984 PolarHBondContact O-N 3.27Å; L981-V985 WeakPolarHBondContact O-CG2 3.4Å; L981-V985 PolarHBondContact O-N 2.95Å; L981-F990 HydrophobicContact CD1-CD2 4.46Å; L981-F990 HydrophobicContact CD1-CE2 3.86Å; L981-F990 HydrophobicContact CG-CE2 4.35Å; L981-W993 HydrophobicContact CD1-CZ3 4.32Å |
| 982 | Y | 68.4 | Low | 59.2 | Low | 6 Ų | 6 | 68 Ų | 68 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -36.2 | -179.5 | -60.4 | -24.5 | 0 | 0 | 0 | 111.2 | H879 E889 I893 S972 R978 A979 E980 R984 V985 F986 | H879-Y982 HydrophobicContact CB-CE2 4.19Å; H879-Y982 AromaticContact CD2-CD2 3.88Å; H879-Y982 AromaticContact CD2-CE2 3.53Å; H879-Y982 AromaticContact CG-CE2 3.5Å; H879-Y982 AromaticContact CG-CZ 3.99Å; H879-Y982 AromaticContact ND1-CE2 3.89Å; H879-Y982 AromaticContact NE2-CE2 3.97Å; E889-Y982 PolarHBondContact OE2-OH 2.93Å; I893-Y982 HydrophobicContact CD1-CD1 3.48Å; I893-Y982 VanDerWaalsContact CD1-CD1 3.48Å; I893-Y982 HydrophobicContact CD1-CD2 4.3Å; I893-Y982 HydrophobicContact CD1-CE1 3.62Å; I893-Y982 HydrophobicContact CD1-CE2 4.38Å; I893-Y982 HydrophobicContact CD1-CG 3.88Å; S972-Y982 WeakPolarHBondContact OG-CE2 3.36Å; R978-Y982 HydrophobicContact CB-CE2 4.23Å; R978-Y982 WeakPolarHBondContact O-CB 3.48Å; R978-Y982 VanDerWaalsContact O-CD2 3.26Å; R978-Y982 WeakPolarHBondContact O-CD2 3.37Å; R978-Y982 PolarHBondContact O-N 2.75Å; A979-Y982 PolarHBondContact O-N 2.78Å; E980-Y982 PolarHBondContact O-N 2.83Å; Y982-R984 VanDerWaalsContact C-N 3.34Å; Y982-R984 PolarHBondContact O-N 3.45Å; Y982-V985 WeakPolarHBondContact O-CA 3.28Å; Y982-V985 WeakPolarHBondContact O-CB 3.23Å; Y982-V985 PolarHBondContact O-N 3.12Å; Y982-V985 VanDerWaalsContact O-N 3.09Å; Y982-F986 WeakPolarHBondContact O-CD2 3.5Å; Y982-F986 PolarHBondContact O-N 3.33Å |
| 983 | K | 65.7 | Low | 58.4 | Low | 54 Ų | 54 | 74.3 Ų | 74.3 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.2 | -49.1 | 168.8 | 180 | -175.2 | 170.9 | -170 | 0 | 111.4 | A979 E980 L981 V985 F986 E987 | A979-K983 WeakPolarHBondContact O-CB 3.46Å; A979-K983 PolarHBondContact O-N 2.86Å; E980-K983 WeakPolarHBondContact O-CB 3.46Å; E980-K983 PolarHBondContact O-N 3.31Å; L981-K983 VanDerWaalsContact C-N 3.34Å; K983-V985 VanDerWaalsContact C-N 3.28Å; K983-V985 PolarHBondContact O-N 3.26Å; K983-F986 CarbonylContact O-C 3.55Å; K983-F986 WeakPolarHBondContact O-CA 3.46Å; K983-F986 WeakPolarHBondContact O-CB 3.37Å; K983-F986 PolarHBondContact O-N 2.75Å; K983-E987 WeakPolarHBondContact CE-OE1 3.28Å; K983-E987 HydrophobicContact CG-CG 4.49Å; K983-E987 WeakPolarHBondContact O-CG 3.3Å; K983-E987 PolarHBondContact O-N 3.01Å |
| 984 | R | 67.2 | Low | 57.9 | Low | 111 Ų | 111 | 75.3 Ų | 75.3 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -33.3 | 175.7 | -71.1 | -177.4 | -172 | 179.2 | 0.4 | 113.6 | E980 L981 Y982 E987 G988 E989 | E980-R984 WeakPolarHBondContact O-CG 3.45Å; E980-R984 PolarHBondContact O-N 3.41Å; E980-R984 IonicContact OE1-NE 3.9Å; L981-R984 WeakPolarHBondContact O-CB 3.42Å; L981-R984 PolarHBondContact O-N 3.27Å; Y982-R984 VanDerWaalsContact C-N 3.34Å; Y982-R984 PolarHBondContact O-N 3.45Å; R984-E987 PolarHBondContact O-N 3.08Å; R984-G988 PolarHBondContact O-N 3.44Å; R984-G988 VanDerWaalsContact O-N 3.16Å; R984-E989 HydrophobicContact CB-CB 4.3Å; R984-E989 PolarHBondContact O-N 3.32Å |
| 985 | V | 68.5 | Low | 57.2 | Low | 12 Ų | 12 | 78.6 Ų | 78.6 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 172.1 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | A890 I893 V894 L981 Y982 K983 G988 F990 | A890-V985 HydrophobicContact CB-CG2 4.37Å; I893-V985 HydrophobicContact CB-CG1 4.47Å; I893-V985 HydrophobicContact CG2-CG1 3.89Å; V894-V985 HydrophobicContact CG2-CG1 3.51Å; L981-V985 WeakPolarHBondContact O-CG2 3.4Å; L981-V985 PolarHBondContact O-N 2.95Å; Y982-V985 WeakPolarHBondContact O-CA 3.28Å; Y982-V985 WeakPolarHBondContact O-CB 3.23Å; Y982-V985 PolarHBondContact O-N 3.12Å; Y982-V985 VanDerWaalsContact O-N 3.09Å; K983-V985 VanDerWaalsContact C-N 3.28Å; K983-V985 PolarHBondContact O-N 3.26Å; V985-G988 PolarHBondContact O-N 2.76Å; V985-F990 HydrophobicContact CG2-CB 4.23Å; V985-F990 HydrophobicContact CG2-CD2 3.57Å; V985-F990 HydrophobicContact CG2-CE2 4.1Å; V985-F990 HydrophobicContact CG2-CG 3.97Å |
| 986 | F | 66 | Low | 56.1 | Low | 46 Ų | 46 | 78.1 Ų | 78.1 | 20% | 0.202 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.8 | -33 | 176.3 | -81.2 | -75.7 | 0 | 0 | 0 | 113.6 | L897 F968 Y982 K983 G988 | L897-F986 HydrophobicContact CD1-CD1 3.35Å; L897-F986 HydrophobicContact CD1-CE1 3.31Å; L897-F986 HydrophobicContact CD1-CG 4.21Å; L897-F986 HydrophobicContact CD1-CZ 4.13Å; L897-F986 HydrophobicContact CG-CE1 4.3Å; F968-F986 AromaticContact CD1-CE1 3.78Å; F968-F986 HydrophobicContact CD1-CE1 3.78Å; F968-F986 AromaticContact CD1-CZ 3.86Å; F968-F986 HydrophobicContact CD1-CZ 3.86Å; F968-F986 AromaticContact CE1-CE1 3.99Å; F968-F986 HydrophobicContact CE1-CE1 3.99Å; F968-F986 AromaticContact CE1-CZ 3.72Å; F968-F986 HydrophobicContact CE1-CZ 3.72Å; Y982-F986 WeakPolarHBondContact O-CD2 3.5Å; Y982-F986 PolarHBondContact O-N 3.33Å; K983-F986 CarbonylContact O-C 3.55Å; K983-F986 WeakPolarHBondContact O-CA 3.46Å; K983-F986 WeakPolarHBondContact O-CB 3.37Å; K983-F986 PolarHBondContact O-N 2.75Å; F986-G988 VanDerWaalsContact C-N 3.26Å; F986-G988 PolarHBondContact O-N 2.8Å |
| 987 | E | 69.3 | Low | 54.9 | Low | 107 Ų | 107 | 79.8 Ų | 79.8 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.9 | 176.7 | -70 | 173.5 | 170.5 | 0 | 0 | 113.1 | K983 R984 E989 | K983-E987 WeakPolarHBondContact CE-OE1 3.28Å; K983-E987 HydrophobicContact CG-CG 4.49Å; K983-E987 WeakPolarHBondContact O-CG 3.3Å; K983-E987 PolarHBondContact O-N 3.01Å; R984-E987 PolarHBondContact O-N 3.08Å; E987-E989 VanDerWaalsContact C-N 3.29Å; E987-E989 HydrophobicContact CB-CG 4.18Å; E987-E989 PolarHBondContact O-N 3.34Å |
| 988 | G | 62.5 | Low | 53.1 | Low | 53 Ų | 53 | 82.8 Ų | 82.8 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 8.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R984 V985 F986 F990 | R984-G988 PolarHBondContact O-N 3.44Å; R984-G988 VanDerWaalsContact O-N 3.16Å; V985-G988 PolarHBondContact O-N 2.76Å; F986-G988 VanDerWaalsContact C-N 3.26Å; F986-G988 PolarHBondContact O-N 2.8Å; G988-F990 PolarHBondContact O-N 2.7Å |
| 989 | E | 58 | Low | 51.4 | Low | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -77.5 | -3.3 | -178.2 | -62.5 | -164.2 | 156.8 | 0 | 0 | 113.9 | R984 E987 S991 | R984-E989 HydrophobicContact CB-CB 4.3Å; R984-E989 PolarHBondContact O-N 3.32Å; E987-E989 VanDerWaalsContact C-N 3.29Å; E987-E989 HydrophobicContact CB-CG 4.18Å; E987-E989 PolarHBondContact O-N 3.34Å; E989-S991 PolarHBondContact O-N 2.96Å |
| 990 | F | 53.6 | Low | 49.6 | Very low | 40 Ų | 40 | 93.1 Ų | 93.1 | 18% | 0.175 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -71.7 | -9.2 | -174.7 | -157.1 | -97.4 | 0 | 0 | 0 | 114.9 | A890 L981 V985 G988 G992 W993 Y994 | A890-F990 HydrophobicContact CB-CE2 4.27Å; A890-F990 HydrophobicContact CB-CZ 4Å; L981-F990 HydrophobicContact CD1-CD2 4.46Å; L981-F990 HydrophobicContact CD1-CE2 3.86Å; L981-F990 HydrophobicContact CG-CE2 4.35Å; V985-F990 HydrophobicContact CG2-CB 4.23Å; V985-F990 HydrophobicContact CG2-CD2 3.57Å; V985-F990 HydrophobicContact CG2-CE2 4.1Å; V985-F990 HydrophobicContact CG2-CG 3.97Å; G988-F990 PolarHBondContact O-N 2.7Å; F990-G992 PolarHBondContact O-N 3.42Å; F990-G992 VanDerWaalsContact O-N 3.08Å; F990-W993 HydrophobicContact CE2-CE3 4.46Å; F990-W993 HydrophobicContact CZ-CE3 4.42Å; F990-Y994 HydrophobicContact CE1-CE2 4.21Å |
| 991 | S | 50.6 | Low | 47.7 | Very low | 108 Ų | 108 | 98.7 Ų | 98.7 | 76% | 0.755 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -64 | -16.1 | -173.1 | 57.1 | 0 | 0 | 0 | 0 | 115.2 | E989 | E989-S991 PolarHBondContact O-N 2.96Š|
| 992 | G | 44.7 | Very low | 45.5 | Very low | 41 Ų | 41 | 105 Ų | 105 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -79.7 | -28.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F990 Y994 S995 | F990-G992 PolarHBondContact O-N 3.42Å; F990-G992 VanDerWaalsContact O-N 3.08Å; G992-Y994 PolarHBondContact O-N 3.44Å; G992-S995 PolarHBondContact O-N 2.83Å; G992-S995 PolarHBondContact O-OG 2.75Å |
| 993 | W | 35.9 | Very low | 43.4 | Very low | 163 Ų | 163 | 111.3 Ų | 111.3 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -75.6 | -23 | -169.1 | -95.5 | 17.7 | 0 | 0 | 0 | 115.2 | L981 F990 S995 | L981-W993 HydrophobicContact CD1-CZ3 4.32Å; F990-W993 HydrophobicContact CE2-CE3 4.46Å; F990-W993 HydrophobicContact CZ-CE3 4.42Å; W993-S995 VanDerWaalsContact C-N 3.27Å; W993-S995 PolarHBondContact O-N 2.89Å |
| 994 | Y | 36.5 | Very low | 41.3 | Very low | 142 Ų | 142 | 113.9 Ų | 113.9 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -68.1 | -27.3 | 175.7 | -85.2 | -83 | 0 | 0 | 0 | 113 | F990 G992 S996 F997 | F990-Y994 HydrophobicContact CE1-CE2 4.21Å; G992-Y994 PolarHBondContact O-N 3.44Å; Y994-S996 PolarHBondContact O-N 2.78Å; Y994-S996 VanDerWaalsContact O-N 3.12Å; Y994-F997 PolarHBondContact O-N 3.35Å |
| 995 | S | 34.1 | Very low | 39.2 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -65.4 | -17 | -178.2 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | G992 W993 | G992-S995 PolarHBondContact O-N 2.83Å; G992-S995 PolarHBondContact O-OG 2.75Å; W993-S995 VanDerWaalsContact C-N 3.27Å; W993-S995 PolarHBondContact O-N 2.89Å |
| 996 | S | 30.6 | Very low | 37 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -95.3 | -12.9 | 179.6 | -60.1 | 0 | 0 | 0 | 0 | 114.6 | Y994 | Y994-S996 PolarHBondContact O-N 2.78Å; Y994-S996 VanDerWaalsContact O-N 3.12Å |
| 997 | F | 26.3 | Very low | 34.9 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 2.9 | -173.5 | -82.4 | -78.5 | 0 | 0 | 0 | 114.8 | Y994 M999 | Y994-F997 PolarHBondContact O-N 3.35Å; F997-M999 VanDerWaalsContact C-N 3.31Å; F997-M999 PolarHBondContact O-N 3.45Å |
| 998 | E | 23.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -73.7 | 89.4 | 174.3 | -130.9 | 174.6 | -165 | 0 | 0 | 110.8 | T1000 | E998-T1000 PolarHBondContact O-N 2.84Š| ||
| 999 | M | 24.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 96.6 | 171.8 | -145.9 | 178.6 | -175.8 | 0 | 0 | 108.6 | F997 K1001 | F997-M999 VanDerWaalsContact C-N 3.31Å; F997-M999 PolarHBondContact O-N 3.45Å; M999-K1001 PolarHBondContact O-N 3.14Å | ||
| 1000 | T | 23.9 | Very low | 29.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | -11.2 | 83.2 | 163.4 | 45.2 | 0 | 0 | 0 | 0 | 116.3 | E998 | E998-T1000 PolarHBondContact O-N 2.84Š| ||
| 1001 | K | 23.7 | Very low | 27.6 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | -97.2 | 89 | 155.4 | -88.6 | -177.1 | 177.1 | 174.3 | 0 | 108.1 | M999 L1003 | M999-K1001 PolarHBondContact O-N 3.14Å; K1001-L1003 PolarHBondContact O-N 2.91Å | ||
| 1002 | N | 21.7 | Very low | 26.3 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -64.9 | 87.9 | 161.8 | -75 | -32.8 | 0 | 0 | 0 | 108.5 | ||||
| 1003 | L | 24 | Very low | 25.2 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | trans | -111.3 | 100.8 | 158.3 | -81.5 | 168.5 | 0 | 0 | 0 | 107.3 | K1001 D1005 | K1001-L1003 PolarHBondContact O-N 2.91Å; L1003-D1005 VanDerWaalsContact C-N 3.32Å; L1003-D1005 PolarHBondContact O-N 2.82Å | ||
| 1004 | S | 22.3 | Very low | 24.6 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -66.2 | 87.6 | 166.8 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1005 | D | 23.9 | Very low | 23.9 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -109.2 | 97.9 | 163 | -82.8 | -30.8 | 0 | 0 | 0 | 109.4 | L1003 S1007 | L1003-D1005 VanDerWaalsContact C-N 3.32Å; L1003-D1005 PolarHBondContact O-N 2.82Å; D1005-S1007 VanDerWaalsContact C-N 3.3Å; D1005-S1007 PolarHBondContact O-N 3.05Å | ||
| 1006 | N | 21.7 | Very low | 23.3 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -54.8 | 91.4 | 162.3 | -75.2 | -33.8 | 0 | 0 | 0 | 109.4 | ||||
| 1007 | S | 22.2 | Very low | 23.1 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -116.6 | 102.6 | 156.6 | 67.6 | 0 | 0 | 0 | 0 | 108.9 | D1005 C1009 | D1005-S1007 VanDerWaalsContact C-N 3.3Å; D1005-S1007 PolarHBondContact O-N 3.05Å; S1007-C1009 PolarHBondContact O-N 2.96Å | ||
| 1008 | V | 21.4 | Very low | 23 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -60.9 | 110.5 | 170.2 | 173.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1009 | C | 21.4 | Very low | 23 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -147.5 | 132.5 | 147.3 | -91.1 | 0 | 0 | 0 | 0 | 109 | S1007 | S1007-C1009 PolarHBondContact O-N 2.96Š| ||
| 1010 | P | 23.8 | Very low | 23.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -92 | 151.4 | -151.6 | 35.6 | -33.9 | 0 | 0 | 0 | 113.2 | I1012 | P1010-I1012 PolarHBondContact O-N 2.84Å; P1010-I1012 VanDerWaalsContact O-N 3.13Å | ||
| 1011 | N | 22.6 | Very low | 23 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -38.7 | 114.2 | 161.8 | -72.6 | -33.8 | 0 | 0 | 0 | 111.6 | I1013 | N1011-I1013 HydrophobicContact CB-CD1 4.27Å; N1011-I1013 HydrophobicContact CB-CG1 4.21Å; N1011-I1013 PolarHBondContact O-N 2.81Å | ||
| 1012 | I | 22.7 | Very low | 23.2 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -73.8 | 85.8 | 161.5 | -61.2 | 174.1 | 0 | 0 | 0 | 106.2 | P1010 | P1010-I1012 PolarHBondContact O-N 2.84Å; P1010-I1012 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | I | 22.5 | Very low | 23.1 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -103.2 | 101.1 | 159 | -62.8 | 168.1 | 0 | 0 | 0 | 105.3 | N1011 | N1011-I1013 HydrophobicContact CB-CD1 4.27Å; N1011-I1013 HydrophobicContact CB-CG1 4.21Å; N1011-I1013 PolarHBondContact O-N 2.81Å | ||
| 1014 | A | 22.9 | Very low | 23.1 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -138.6 | 84.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1015 | N | 21.2 | Very low | 23 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 67 | 102.3 | 107.2 | -101.4 | 4.7 | 0 | 0 | 0 | 113.2 | N1017 | N1015-N1017 PolarHBondContact O-N 2.78Š| |||
| 1016 | N | 23 | Very low | 23.1 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -43.5 | 106.6 | 151.9 | -66.1 | -29.1 | 0 | 0 | 0 | 108.9 | ||||
| 1017 | N | 25.1 | Very low | 23 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -94.6 | 97.9 | 164.7 | -119.7 | -0.9 | 0 | 0 | 0 | 106.6 | N1015 | N1015-N1017 PolarHBondContact O-N 2.78Š| ||
| 1018 | D | 25.4 | Very low | 23.1 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -51 | 132.2 | 155 | -65.8 | -48.3 | 0 | 0 | 0 | 108.7 | ||||
| 1019 | N | 24.3 | Very low | 23.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 171.6 | 144.1 | 135.1 | -88.8 | -41.7 | 0 | 0 | 0 | 112.6 | ||||
| 1020 | N | 25 | Very low | 23.2 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 105.7 | 91.9 | 155.5 | -59.5 | -30.9 | 0 | 0 | 0 | 118.1 | ||||
| 1021 | N | 23 | Very low | 23 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | 58.6 | 101.9 | 113.6 | -57.9 | -22.7 | 0 | 0 | 0 | 117.1 | |||||
| 1022 | F | 26.6 | Very low | 23 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | -152.7 | 118 | 121 | -106.8 | -75.4 | 0 | 0 | 0 | 111.2 | |||||
| 1023 | S | 20.3 | Very low | 23 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -71.8 | 135.3 | 167.6 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1024 | N | 23.1 | Very low | 23.1 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -177.2 | 110.2 | 134.6 | -95.7 | -27.2 | 0 | 0 | 0 | 110.1 | ||||
| 1025 | T | 20.6 | Very low | 23 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | 68.5 | 83.3 | 89.1 | -36.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1026 | Y | 26.2 | Very low | 23.1 | Very low | 237 Ų | 237 | 146 Ų | 146 | 93% | 0.929 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 111.3 | 138.3 | -92.4 | -72.8 | 0 | 0 | 0 | 110 | ||||
| 1027 | T | 20.9 | Very low | 23 | Very low | 131 Ų | 131 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -86.3 | 123.7 | 173.4 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1028 | S | 24.2 | Very low | 23 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 132.8 | 152.8 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1029 | K | 21.3 | Very low | 22.9 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -85.2 | 133.4 | -169.5 | -66.6 | 162.2 | 171.5 | 172.4 | 0 | 109.3 | ||||
| 1030 | F | 22.1 | Very low | 22.7 | Very low | 210 Ų | 210 | 151.9 Ų | 151.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -148.4 | 154.6 | 139.3 | -102.5 | -75.9 | 0 | 0 | 0 | 110.8 | ||||
| 1031 | S | 21 | Very low | 22.6 | Very low | 89 Ų | 89 | 151.7 Ų | 151.7 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 141.1 | -149.6 | 41.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1032 | T | 21 | Very low | 22.6 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 19.1 | 119.4 | 136.1 | 60.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1033 | S | 22.9 | Very low | 22.4 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | -171 | 142.2 | 115.1 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1034 | S | 24.5 | Very low | 22.5 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 58.9 | 98.3 | 153.2 | 53.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1035 | K | 22.4 | Very low | 22.3 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -7.7 | 124.4 | 132.1 | -70.5 | 172.4 | 173 | 176.9 | 0 | 116.4 | ||||
| 1036 | S | 22.9 | Very low | 22.4 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -147 | 123.4 | 130.1 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1037 | H | 21.5 | Very low | 22.2 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | -68.6 | 139.6 | 162.3 | -81.9 | -101.6 | 0 | 0 | 0 | 108 | ||||
| 1038 | I | 24.4 | Very low | 22.3 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | 176.5 | 118.6 | 124.2 | -84.8 | 151.3 | 0 | 0 | 0 | 108.7 | |||||
| 1039 | E | 23.2 | Very low | 22.2 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | 9.4 | 137.1 | 155.1 | -67 | 168 | 162.6 | 0 | 0 | 122.3 | ||||
| 1040 | K | 20 | Very low | 22.5 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -45.8 | 126.2 | 165.1 | -68.1 | 170.6 | 174.2 | 176.7 | 0 | 112.3 | ||||
| 1041 | P | 23.6 | Very low | 22.4 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -84.4 | 118.6 | 162.2 | 30 | -23 | 0 | 0 | 0 | 109 | ||||
| 1042 | Q | 23 | Very low | 22.5 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -64.6 | 130.2 | 165.6 | -74.2 | -176.8 | -33.4 | 0 | 0 | 109.5 | A1044 | Q1042-A1044 PolarHBondContact O-N 2.75Å; Q1042-A1044 VanDerWaalsContact O-N 3.16Å | ||
| 1043 | V | 22 | Very low | 22.8 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 101.9 | 166.3 | 176 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1044 | A | 22.7 | Very low | 22.6 | Very low | 74 Ų | 74 | 149 Ų | 149 | 61% | 0.612 | 81% | 0.813 | S | S | * | * | trans | -113.2 | 120.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q1042 Y1046 | Q1042-A1044 PolarHBondContact O-N 2.75Å; Q1042-A1044 VanDerWaalsContact O-N 3.16Å; A1044-Y1046 PolarHBondContact O-N 3.21Å | ||
| 1045 | L | 18.6 | Very low | 22.4 | Very low | 174 Ų | 174 | 149 Ų | 149 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -60.1 | 117.1 | 172.4 | -75.4 | 153.7 | 0 | 0 | 0 | 110 | ||||
| 1046 | Y | 22.3 | Very low | 22.4 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -126.4 | 110.8 | 160.6 | -95.7 | -82.7 | 0 | 0 | 0 | 109.6 | A1044 Q1048 | A1044-Y1046 PolarHBondContact O-N 3.21Å; Y1046-Q1048 PolarHBondContact O-N 3.08Å | ||
| 1047 | S | 20.8 | Very low | 22.5 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -58.3 | 109.5 | 161.2 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1048 | Q | 25 | Very low | 22.5 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -106.4 | 115.4 | 164.2 | -81.8 | -170.3 | -13 | 0 | 0 | 109.8 | Y1046 V1050 | Y1046-Q1048 PolarHBondContact O-N 3.08Å; Q1048-V1050 PolarHBondContact O-N 3.1Å | ||
| 1049 | N | 21.6 | Very low | 22.5 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -43.2 | 114.7 | 162 | -87.5 | -44.1 | 0 | 0 | 0 | 111.2 | N1051 | N1049-N1051 PolarHBondContact O-N 2.81Š| ||
| 1050 | V | 26.1 | Very low | 22.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -95.3 | 86.8 | 158 | -171.2 | 0 | 0 | 0 | 0 | 106.7 | Q1048 | Q1048-V1050 PolarHBondContact O-N 3.1Š| ||
| 1051 | N | 21.3 | Very low | 22.8 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -84.9 | 153.3 | 162.6 | -87 | -24.2 | 0 | 0 | 0 | 109.2 | N1049 | N1049-N1051 PolarHBondContact O-N 2.81Š| ||
| 1052 | S | 23.5 | Very low | 22.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 84.9 | 122.6 | -177.2 | 87.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1053 | V | 25.5 | Very low | 22.9 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | cis | -147.3 | 110.2 | 38 | 173 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1054 | C | 19 | Very low | 23.1 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 92% | 0.919 | 78% | 0.775 | S | S | * | * | trans | -111.1 | 97.5 | 163.9 | -92 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1055 | S | 20.3 | Very low | 23.2 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -170.7 | 90.8 | 161.3 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1056 | S | 24 | Very low | 23.5 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -162.2 | 101.5 | 145.7 | 58.1 | 0 | 0 | 0 | 0 | 111 | ||
| 1057 | V | 24.7 | Very low | 23.5 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 65.6 | 94.9 | 140.3 | -167.2 | 0 | 0 | 0 | 0 | 117 | H1059 | V1057-H1059 PolarHBondContact O-N 2.86Š| ||
| 1058 | L | 21 | Very low | 23.6 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -53.1 | 121.1 | 148.7 | -82.6 | 88 | 0 | 0 | 0 | 109.7 | ||||
| 1059 | H | 24.6 | Very low | 23.6 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -115 | 103.9 | 143.9 | -96.3 | -70.5 | 0 | 0 | 0 | 107.2 | V1057 P1061 | V1057-H1059 PolarHBondContact O-N 2.86Å; H1059-P1061 VanDerWaalsContact O-CD 3.28Å; H1059-P1061 WeakPolarHBondContact O-CD 3.36Å | ||
| 1060 | N | 21.6 | Very low | 23.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 119.3 | 167.6 | -73.3 | -27.1 | 0 | 0 | 0 | 108.9 | ||
| 1061 | P | 27.9 | Very low | 23.9 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 148 | 146.4 | 28.8 | -17.6 | 0 | 0 | 0 | 109.2 | H1059 | H1059-P1061 VanDerWaalsContact O-CD 3.28Å; H1059-P1061 WeakPolarHBondContact O-CD 3.36Å |
| 1062 | P | 25.6 | Very low | 24.2 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 137.4 | -170.8 | 32.9 | -32.4 | 0 | 0 | 0 | 111.9 | D1064 | P1062-D1064 PolarHBondContact O-N 3.4Š|
| 1063 | N | 23.7 | Very low | 24.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 27.2 | 78 | 141.6 | -60.5 | -15.1 | 0 | 0 | 0 | 117.6 | ||||
| 1064 | D | 25.7 | Very low | 24.5 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -104 | 102.5 | 146.1 | -86.7 | -29.4 | 0 | 0 | 0 | 108.1 | P1062 I1066 | P1062-D1064 PolarHBondContact O-N 3.4Å; D1064-I1066 VanDerWaalsContact C-N 3.31Å; D1064-I1066 PolarHBondContact O-N 3.06Å | ||
| 1065 | V | 24 | Very low | 24.9 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 89.1 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | T1067 | V1065-T1067 VanDerWaalsContact C-N 3.31Å; V1065-T1067 HydrophobicContact CG1-CG2 3.88Å; V1065-T1067 PolarHBondContact O-N 3.12Å; V1065-T1067 VanDerWaalsContact O-N 3.12Å | ||
| 1066 | I | 24.9 | Very low | 25.4 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -78.2 | 93.5 | 161.9 | -59.1 | 176.9 | 0 | 0 | 0 | 105.9 | D1064 L1068 | D1064-I1066 VanDerWaalsContact C-N 3.31Å; D1064-I1066 PolarHBondContact O-N 3.06Å; I1066-L1068 PolarHBondContact O-N 3.19Å | ||
| 1067 | T | 21.9 | Very low | 25.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -60.1 | 97.6 | 166 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | V1065 | V1065-T1067 VanDerWaalsContact C-N 3.31Å; V1065-T1067 HydrophobicContact CG1-CG2 3.88Å; V1065-T1067 PolarHBondContact O-N 3.12Å; V1065-T1067 VanDerWaalsContact O-N 3.12Å | ||
| 1068 | L | 23.5 | Very low | 25.8 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 131.6 | 165.9 | -75.4 | 169.4 | 0 | 0 | 0 | 108.7 | I1066 W1070 | I1066-L1068 PolarHBondContact O-N 3.19Å; L1068-W1070 PolarHBondContact O-N 3.11Å | ||
| 1069 | P | 25.2 | Very low | 26 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | trans | -62.7 | 134 | 176.8 | -13.9 | 27 | 0 | 0 | 0 | 109.7 | L1071 | P1069-L1071 PolarHBondContact O-N 3.25Å; P1069-L1071 VanDerWaalsContact O-N 3.11Å | ||
| 1070 | W | 25.6 | Very low | 26.1 | Very low | 255 Ų | 255 | 126 Ų | 126 | 97% | 0.966 | 71% | 0.711 | S | S | * | * | trans | -65.1 | 110.2 | -175.7 | -70.4 | 36.5 | 0 | 0 | 0 | 109.9 | L1068 | L1068-W1070 PolarHBondContact O-N 3.11Š| ||
| 1071 | L | 28.1 | Very low | 26.1 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -70.5 | 128.4 | 167 | -104.5 | 132.9 | 0 | 0 | 0 | 108.6 | P1069 V1073 | P1069-L1071 PolarHBondContact O-N 3.25Å; P1069-L1071 VanDerWaalsContact O-N 3.11Å; L1071-V1073 PolarHBondContact O-N 3.21Å; L1071-V1073 VanDerWaalsContact O-N 3.08Å | ||
| 1072 | P | 27.7 | Very low | 26 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -70.9 | 106.9 | -179.1 | 27.5 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 1073 | V | 27.7 | Very low | 26 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | trans | -72.2 | 135.3 | 168.3 | -173.3 | 0 | 0 | 0 | 0 | 108 | L1071 D1077 | L1071-V1073 PolarHBondContact O-N 3.21Å; L1071-V1073 VanDerWaalsContact O-N 3.08Å; V1073-D1077 HydrophobicContact CG1-CB 3.8Å | ||
| 1074 | S | 27.7 | Very low | 25.9 | Very low | 56 Ų | 56 | 130.6 Ų | 130.6 | 39% | 0.392 | 73% | 0.726 | S | S | . | * | trans | -61.7 | 148.5 | 178.9 | 83.7 | 0 | 0 | 0 | 0 | 111.2 | T1076 D1077 | S1074-T1076 PolarHBondContact O-N 3.24Å; S1074-T1076 PolarHBondContact OG-OG1 3.05Å; S1074-D1077 PolarHBondContact O-N 3.31Å | ||
| 1075 | P | 28 | Very low | 25.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -21.1 | -176.2 | -24.8 | 33.1 | 0 | 0 | 0 | 114.8 | ||
| 1076 | T | 29.5 | Very low | 25.8 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -32.9 | -177.9 | -14 | 0 | 0 | 0 | 0 | 112.9 | S1074 | S1074-T1076 PolarHBondContact O-N 3.24Å; S1074-T1076 PolarHBondContact OG-OG1 3.05Å |
| 1077 | D | 29.6 | Very low | 25.7 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 51% | 0.513 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -86.9 | -19.5 | -175.9 | -63.8 | -37.5 | 0 | 0 | 0 | 112.9 | V1073 S1074 F1079 S1080 | V1073-D1077 HydrophobicContact CG1-CB 3.8Å; S1074-D1077 PolarHBondContact O-N 3.31Å; D1077-F1079 PolarHBondContact O-N 3.11Å; D1077-S1080 PolarHBondContact O-N 3.45Å; D1077-S1080 PolarHBondContact O-OG 3.04Å |
| 1078 | A | 27.5 | Very low | 25.7 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -66.6 | -20 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1079 | F | 26.5 | Very low | 25.6 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -95.2 | 4.5 | -176.7 | -82.1 | -75 | 0 | 0 | 0 | 115.3 | D1077 | D1077-F1079 PolarHBondContact O-N 3.11Š|
| 1080 | S | 25.3 | Very low | 25.7 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 53% | 0.531 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -87.8 | -9 | -179.3 | 60.7 | 0 | 0 | 0 | 0 | 115 | D1077 | D1077-S1080 PolarHBondContact O-N 3.45Å; D1077-S1080 PolarHBondContact O-OG 3.04Å |
| 1081 | F | 23.2 | Very low | 25.6 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -106 | 45.7 | 178.6 | -79 | -75.3 | 0 | 0 | 0 | 114.3 | ||
| 1082 | Q | 25.1 | Very low | 25.5 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -140.5 | 57.3 | 158.1 | -76.1 | -165.2 | -7.5 | 0 | 0 | 111.5 | ||||
| 1083 | S | 24.6 | Very low | 25.2 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -101.2 | 83.3 | 161.9 | 57 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1084 | S | 23.4 | Very low | 25.1 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 174 | 77.7 | 155.4 | 42 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1085 | R | 23.4 | Very low | 25.1 | Very low | 243 Ų | 243 | 135.4 Ų | 135.4 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -149.4 | 89.9 | 147.5 | -114.7 | 169.6 | -171.4 | -169.3 | 2.3 | 109.7 | L1087 | R1085-L1087 PolarHBondContact O-N 2.9Š| ||
| 1086 | S | 22.2 | Very low | 24.8 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -47.4 | 125.2 | 162 | 50.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1087 | L | 24.2 | Very low | 24.5 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -118.5 | 138 | 151.9 | -122.5 | 87.6 | 0 | 0 | 0 | 108.7 | R1085 | R1085-L1087 PolarHBondContact O-N 2.9Š| ||
| 1088 | P | 22.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -96.9 | 150.3 | -159.6 | 38.1 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 1089 | T | 21.6 | Very low | 24 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | 54.3 | 119.4 | 139.9 | 57.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1090 | T | 27 | Very low | 23.8 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | 172.2 | 95.5 | 117 | 32.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1091 | T | 22 | Very low | 23.7 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 43.2 | 101.7 | 106.6 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1092 | H | 27.3 | Very low | 24.1 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -156 | 103.5 | 135.3 | -105.2 | -74.2 | 0 | 0 | 0 | 109.5 | ||||
| 1093 | A | 21.6 | Very low | 23.9 | Very low | 76 Ų | 76 | 155.9 Ų | 155.9 | 63% | 0.628 | 81% | 0.807 | S | S | * | * | trans | -93.9 | 156.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1094 | N | 24 | Very low | 23.9 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 78.9 | 100.5 | 156.8 | -55.9 | -31.7 | 0 | 0 | 0 | 118.2 | ||||
| 1095 | I | 28.2 | Very low | 24.1 | Very low | 175 Ų | 175 | 163.2 Ų | 163.2 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | -144.2 | 99.7 | 122.4 | -57 | -173.2 | 0 | 0 | 0 | 108.3 | |||||
| 1096 | I | 23.1 | Very low | 24 | Very low | 151 Ų | 151 | 156.7 Ų | 156.7 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -107.6 | 144.1 | 161.1 | -61.6 | 177.5 | 0 | 0 | 0 | 106.6 | ||||
| 1097 | R | 22.6 | Very low | 23.9 | Very low | 231 Ų | 231 | 163 Ų | 163 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | 110.1 | 99.1 | 163.2 | -60.7 | -177.6 | -179.2 | 148.5 | 0.6 | 115.4 | ||||
| 1098 | K | 26.4 | Very low | 24 | Very low | 219 Ų | 219 | 159.7 Ų | 159.7 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | -156.9 | 112.9 | 124.5 | -109.4 | 172.9 | -177.6 | -179.5 | 0 | 109.6 | |||||
| 1099 | L | 20.9 | Very low | 24.2 | Very low | 152 Ų | 152 | 161.3 Ų | 161.3 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -97.2 | 150.9 | 174.6 | -150.5 | 83.4 | 0 | 0 | 0 | 107.9 | ||||
| 1100 | D | 21.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 162.2 Ų | 162.2 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | 65.7 | 109.6 | 157.3 | -62.3 | -24.1 | 0 | 0 | 0 | 120.4 | ||||
| 1101 | N | 23.6 | Very low | 24.1 | Very low | 148 Ų | 148 | 163.3 Ų | 163.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | -176.8 | 156.8 | 113.3 | -92.2 | -46.6 | 0 | 0 | 0 | 110.7 | |||||
| 1102 | H | 30.8 | Very low | 24 | Very low | 193 Ų | 193 | 162.4 Ų | 162.4 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | 114 | 62.4 | 173.8 | -56.6 | -59 | 0 | 0 | 0 | 116 | ||||
| 1103 | R | 20 | Very low | 24 | Very low | 243 Ų | 243 | 158.6 Ų | 158.6 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -91.8 | 124.4 | 141.4 | -93.4 | -175.2 | 174.1 | -177.3 | -0.1 | 108.1 | ||||
| 1104 | Q | 25 | Very low | 24 | Very low | 193 Ų | 193 | 161.5 Ų | 161.5 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 153.5 | 109.2 | 146.4 | -88.6 | 176.3 | 24.1 | 0 | 0 | 108.2 | ||||
| 1105 | L | 27.4 | Very low | 24.1 | Very low | 180 Ų | 180 | 163.9 Ų | 163.9 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | -157.6 | 114.3 | 142.4 | -99.9 | 170.3 | 0 | 0 | 0 | 107.6 | ||||
| 1106 | S | 22.9 | Very low | 23.7 | Very low | 106 Ų | 106 | 162.1 Ų | 162.1 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -87.6 | 142 | -175.6 | 42 | 0 | 0 | 0 | 0 | 112 | ||||
| 1107 | R | 19.9 | Very low | 23.9 | Very low | 245 Ų | 245 | 158.7 Ų | 158.7 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | 3.1 | 126.8 | 149.3 | -69.2 | 175 | 170.2 | 170.2 | -3.6 | 117.9 | ||||
| 1108 | S | 24.7 | Very low | 23.9 | Very low | 99 Ų | 99 | 155.3 Ų | 155.3 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | 179.5 | 146.9 | 129.9 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1109 | N | 27.1 | Very low | 23.8 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 98 | 101.9 | 158.7 | -53.2 | -22.9 | 0 | 0 | 0 | 116.4 | ||||
| 1110 | I | 22.9 | Very low | 24.2 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | 90 | 114.2 | 55.4 | -70.1 | 171.8 | 0 | 0 | 0 | 112.1 | |||||
| 1111 | L | 23.1 | Very low | 24.2 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | 61.3 | 109.9 | 145.3 | -64.8 | 169.3 | 0 | 0 | 0 | 118.6 | ||||
| 1112 | S | 20.7 | Very low | 24.3 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | 73.5 | 103.3 | 85.9 | 80.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1113 | S | 26.4 | Very low | 24.2 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -129.7 | 99.6 | 157.8 | 58.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1114 | T | 21.9 | Very low | 24.3 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -78.5 | 117.6 | 162.9 | 40.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1115 | E | 26.9 | Very low | 24.2 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -134 | 124.8 | 159.2 | -93.2 | -173.6 | 163.9 | 0 | 0 | 110.2 | ||||
| 1116 | C | 20.2 | Very low | 24.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -72 | 140.1 | 175.3 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1117 | G | 26.9 | Very low | 24.4 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -153.2 | 92.9 | 163 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1118 | I | 22.1 | Very low | 24.4 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 120.7 | 168.4 | -63 | 171.7 | 0 | 0 | 0 | 106.8 | ||||
| 1119 | L | 24.1 | Very low | 24.5 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -153.9 | 152.1 | 151.7 | -105.3 | 123.8 | 0 | 0 | 0 | 110.6 | ||||
| 1120 | P | 28.9 | Very low | 24.5 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | trans | -114.7 | 171.4 | -137.1 | 41 | -32.7 | 0 | 0 | 0 | 116.1 | ||||
| 1121 | S | 21.9 | Very low | 24.5 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | -30.7 | 129.5 | 163 | 54.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1122 | T | 26.8 | Very low | 24.6 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -175.7 | 110.4 | 133.8 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1123 | L | 28.8 | Very low | 24.9 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 97% | 0.974 | 84% | 0.843 | S | S | * | * | trans | -168.1 | 75.7 | 152.3 | -107.5 | 149.7 | 0 | 0 | 0 | 107.9 | ||||
| 1124 | C | 21.3 | Very low | 24.7 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 79% | 0.791 | 84% | 0.842 | S | S | * | * | trans | -117.8 | 143.7 | 160.2 | -171.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1125 | E | 23.7 | Very low | 24.9 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | 85.3 | 83.4 | 177.3 | -54.1 | -174.1 | 171.3 | 0 | 0 | 116.6 | ||||
| 1126 | Q | 26.8 | Very low | 24.6 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | -155.1 | 141.3 | 130.8 | -106.4 | 172.3 | 23.5 | 0 | 0 | 109 | ||||
| 1127 | M | 26.6 | Very low | 24.8 | Very low | 185 Ų | 185 | 142 Ų | 142 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | 97 | 52.2 | 176.1 | -46.8 | -147.1 | 170.9 | 0 | 0 | 117.4 | ||||
| 1128 | C | 21 | Very low | 24.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -98.3 | 109.3 | 137 | -77.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1129 | Q | 25.7 | Very low | 24.7 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | 157.9 | 88.8 | 147.9 | -89.5 | 175.2 | 15.2 | 0 | 0 | 110 | ||||
| 1130 | V | 28.9 | Very low | 24.5 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -140.4 | 91.8 | 146.2 | -175 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1131 | S | 22.6 | Very low | 24.5 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | trans | -129.7 | 108.6 | 168.4 | 57.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1132 | Q | 24.9 | Very low | 24.5 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | 158.3 | 147.6 | 141.4 | -90.1 | 175.5 | 8.6 | 0 | 0 | 112.5 | ||||
| 1133 | A | 26.2 | Very low | 24.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | 81.8 | 108.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1134 | G | 22.6 | Very low | 24.2 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -66.7 | 141 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1135 | V | 26.5 | Very low | 24.8 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -134.1 | 111.4 | 162.2 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | C1137 | V1135-C1137 HydrophobicContact CG1-CB 4.31Å; V1135-C1137 PolarHBondContact O-N 3.25Å | ||
| 1136 | F | 21 | Very low | 24.8 | Very low | 218 Ų | 218 | 142.5 Ų | 142.5 | 96% | 0.956 | 82% | 0.82 | S | S | * | * | trans | -66.7 | 115.1 | 158.1 | -99.5 | -94.5 | 0 | 0 | 0 | 107.2 | ||||
| 1137 | C | 23.3 | Very low | 24.7 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 70% | 0.696 | 81% | 0.814 | S | S | * | * | trans | -143.2 | 107.8 | 160.6 | -142.3 | 0 | 0 | 0 | 0 | 109 | V1135 | V1135-C1137 HydrophobicContact CG1-CB 4.31Å; V1135-C1137 PolarHBondContact O-N 3.25Å | ||
| 1138 | S | 21.5 | Very low | 24.6 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -70 | 115 | 165.2 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1139 | L | 26 | Very low | 24.9 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -153 | 108.9 | 158 | -103.5 | 120.4 | 0 | 0 | 0 | 109.6 | ||||
| 1140 | C | 19.4 | Very low | 24.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -63.6 | 137.9 | 160.7 | -74.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1141 | P | 29.2 | Very low | 24.7 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -103.3 | 114.8 | 146.8 | 11.7 | 8.3 | 0 | 0 | 0 | 108.6 | ||||
| 1142 | Q | 22.7 | Very low | 24.9 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -56.1 | 132.8 | 162.9 | -65.3 | 179.5 | -19.1 | 0 | 0 | 109.9 | ||||
| 1143 | S | 27.4 | Very low | 25 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -144.1 | 127 | 146.3 | 52.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1144 | Y | 21.3 | Very low | 25 | Very low | 204 Ų | 204 | 133.9 Ų | 133.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -103.8 | -179.4 | -165.9 | -110.5 | -66.7 | 0 | 0 | 0 | 108.9 | ||||
| 1145 | P | 33.2 | Very low | 25.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -107.3 | 163.3 | -124.6 | 40.9 | -28.6 | 0 | 0 | 0 | 113.6 | |||||
| 1146 | T | 25 | Very low | 25.3 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | -156.9 | 144.6 | 154.5 | 22.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1147 | S | 24.1 | Very low | 25.6 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 82.5 | 95.8 | 154.4 | 68.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1148 | V | 25 | Very low | 26 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | 75.9 | 109.3 | 129.4 | -168.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 1149 | P | 27.1 | Very low | 26.4 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 135.8 | -179.9 | 31.7 | -26.5 | 0 | 0 | 0 | 112.6 | ||
| 1150 | L | 23.6 | Very low | 26.4 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 143.8 | 160.9 | -133.8 | 79 | 0 | 0 | 0 | 108.8 | S1152 | L1150-S1152 PolarHBondContact O-N 2.91Š|
| 1151 | P | 27.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 126.1 | -167.1 | -11.5 | 27 | 0 | 0 | 0 | 112.3 | I1153 | P1151-I1153 PolarHBondContact O-N 3.06Š|
| 1152 | S | 25.6 | Very low | 27 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -63.7 | 109.4 | 163.4 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | L1150 N1154 | L1150-S1152 PolarHBondContact O-N 2.91Å; S1152-N1154 PolarHBondContact O-N 2.93Å; S1152-N1154 VanDerWaalsContact O-N 3.11Å | ||
| 1153 | I | 27.2 | Very low | 27.5 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -78.2 | 85.5 | 157.1 | -63.7 | 172.6 | 0 | 0 | 0 | 105.8 | P1151 S1155 | P1151-I1153 PolarHBondContact O-N 3.06Å; I1153-S1155 VanDerWaalsContact C-N 3.35Å; I1153-S1155 PolarHBondContact O-N 3.17Å | ||
| 1154 | N | 26 | Very low | 27.5 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -77.4 | 89.4 | 161.9 | -74.9 | -14.3 | 0 | 0 | 0 | 106.9 | S1152 S1156 | S1152-N1154 PolarHBondContact O-N 2.93Å; S1152-N1154 VanDerWaalsContact O-N 3.11Å; N1154-S1156 PolarHBondContact O-N 3.32Å | ||
| 1155 | S | 26.1 | Very low | 27.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -88.4 | 94.5 | 157.4 | 62.8 | 0 | 0 | 0 | 0 | 107.2 | I1153 V1157 | I1153-S1155 VanDerWaalsContact C-N 3.35Å; I1153-S1155 PolarHBondContact O-N 3.17Å; S1155-V1157 PolarHBondContact O-N 3.33Å | ||
| 1156 | S | 29.3 | Very low | 27.5 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | trans | -55.1 | 109.6 | 170.7 | 43.8 | 0 | 0 | 0 | 0 | 110.7 | N1154 E1158 | N1154-S1156 PolarHBondContact O-N 3.32Å; S1156-E1158 PolarHBondContact O-N 2.87Å | ||
| 1157 | V | 27.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -79.5 | 14 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | S1155 E1159 | S1155-V1157 PolarHBondContact O-N 3.33Å; V1157-E1159 VanDerWaalsContact C-N 3.28Å; V1157-E1159 PolarHBondContact O-N 3.24Å |
| 1158 | E | 30.9 | Very low | 27.7 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -80 | -3 | 176.6 | -72.1 | 175.1 | 158.1 | 0 | 0 | 113.7 | S1156 | S1156-E1158 PolarHBondContact O-N 2.87Š|
| 1159 | E | 30.7 | Very low | 27.8 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -88.7 | -10.9 | -177.7 | -106.2 | 179.6 | 174.7 | 0 | 0 | 115.9 | V1157 | V1157-E1159 VanDerWaalsContact C-N 3.28Å; V1157-E1159 PolarHBondContact O-N 3.24Å |
| 1160 | Y | 26.4 | Very low | 27.7 | Very low | 217 Ų | 217 | 144.3 Ų | 144.3 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -4.9 | -175.2 | -144 | -95.8 | 0 | 0 | 0 | 115.4 | ||
| 1161 | Y | 28.9 | Very low | 27.8 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 3.7 | 177.9 | -69.6 | -73.1 | 0 | 0 | 0 | 114.1 | ||
| 1162 | A | 32.2 | Very low | 27.8 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1163 | E | 31.9 | Very low | 27.7 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 22.7 | -170.4 | -64.5 | -162.9 | 163.9 | 0 | 0 | 116.1 | ||
| 1164 | L | 28.2 | Very low | 27.7 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -92.4 | 133.2 | 164.9 | -76.5 | 170.1 | 0 | 0 | 0 | 111.5 | K1166 | L1164-K1166 PolarHBondContact O-N 2.96Š|
| 1165 | P | 28 | Very low | 27.6 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 130.9 | -173.8 | -21.3 | 30 | 0 | 0 | 0 | 113 | V1167 | P1165-V1167 VanDerWaalsContact C-N 3.35Å; P1165-V1167 PolarHBondContact O-N 3.38Å | ||
| 1166 | K | 26.6 | Very low | 27.6 | Very low | 210 Ų | 210 | 153.2 Ų | 153.2 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 88.9 | 169.7 | -68.9 | 176 | 179.4 | 174.6 | 0 | 109.7 | L1164 T1168 | L1164-K1166 PolarHBondContact O-N 2.96Å; K1166-T1168 PolarHBondContact O-N 2.96Å | ||
| 1167 | V | 27 | Very low | 27.4 | Very low | 129 Ų | 129 | 155 Ų | 155 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -80.7 | 113 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | P1165 Q1169 | P1165-V1167 VanDerWaalsContact C-N 3.35Å; P1165-V1167 PolarHBondContact O-N 3.38Å; V1167-Q1169 PolarHBondContact O-N 3.4Å | ||
| 1168 | T | 25.4 | Very low | 27.2 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -49.1 | 114.1 | -178.7 | 42.5 | 0 | 0 | 0 | 0 | 112.9 | K1166 S1170 | K1166-T1168 PolarHBondContact O-N 2.96Å; T1168-S1170 PolarHBondContact O-N 2.87Å | ||
| 1169 | Q | 26.8 | Very low | 27 | Very low | 190 Ų | 190 | 160.9 Ų | 160.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -70 | 109.3 | 163.2 | -87.8 | -179.1 | -13.9 | 0 | 0 | 109.2 | V1167 V1171 | V1167-Q1169 PolarHBondContact O-N 3.4Å; Q1169-V1171 PolarHBondContact O-N 2.61Å | ||
| 1170 | S | 26.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 118.2 | 163.2 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | T1168 | T1168-S1170 PolarHBondContact O-N 2.87Š| ||
| 1171 | V | 25 | Very low | 26.8 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 66% | 0.655 | 81% | 0.81 | S | S | * | * | trans | -60.1 | 129.5 | 174 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | Q1169 L1173 | Q1169-V1171 PolarHBondContact O-N 2.61Å; V1171-L1173 HydrophobicContact CG1-CD1 4.15Å; V1171-L1173 HydrophobicContact CG1-CG 4.28Å | ||
| 1172 | N | 27.7 | Very low | 26.8 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -137.6 | 112 | 141.7 | -95.7 | -27.1 | 0 | 0 | 0 | 108.3 | ||||
| 1173 | L | 23.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 156.4 Ų | 156.4 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | trans | -77 | 127.4 | 169.6 | -81.9 | 147.8 | 0 | 0 | 0 | 108.5 | V1171 | V1171-L1173 HydrophobicContact CG1-CD1 4.15Å; V1171-L1173 HydrophobicContact CG1-CG 4.28Å | ||
| 1174 | E | 28.1 | Very low | 26.5 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -147.3 | 113.9 | 145.4 | -120.3 | 169.5 | -171.8 | 0 | 0 | 109.2 | ||||
| 1175 | L | 23.1 | Very low | 26.5 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -67.1 | 124.6 | 171 | -97.9 | 79 | 0 | 0 | 0 | 108.6 | ||||
| 1176 | E | 26.5 | Very low | 26.5 | Very low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -140.5 | 122 | 145.8 | -109.3 | -168.7 | -179 | 0 | 0 | 112.2 | ||||
| 1177 | S | 24.1 | Very low | 26.6 | Very low | 116 Ų | 116 | 162.9 Ų | 162.9 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -74.4 | 118.7 | -178.6 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1178 | R | 24 | Very low | 26.5 | Very low | 179 Ų | 179 | 162.6 Ų | 162.6 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | -125.7 | 140.5 | 157.9 | -76.6 | -168.2 | -175.3 | -136.3 | -6.4 | 111.7 | E417 | E417-R1178 IonicContact OE1-CZ 2.77Å; E417-R1178 IonicContact OE1-NH1 3.37Å; E417-R1178 IonicContact OE1-NH2 3.9Å; E417-R1178 PolarHBondContact OE1-NH2 2.75Å | ||
| 1179 | R | 25.8 | Very low | 26.7 | Very low | 240 Ų | 240 | 164.8 Ų | 164.8 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 153 | -156.2 | -66.7 | 170.8 | 175 | 159.9 | -2.2 | 114 | ||
| 1180 | P | 26 | Very low | 26.6 | Very low | 125 Ų | 125 | 161.4 Ų | 161.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 132.3 | -176.1 | 3.5 | 15 | 0 | 0 | 0 | 112.7 | ||
| 1181 | H | 27.8 | Very low | 26.4 | Very low | 190 Ų | 190 | 164 Ų | 164 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 133.8 | 162.3 | -95.3 | -74 | 0 | 0 | 0 | 110.6 | ||
| 1182 | P | 28.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 165.6 Ų | 165.6 | 66% | 0.656 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.2 | -178.8 | 33.8 | -32.4 | 0 | 0 | 0 | 112.2 | ||
| 1183 | N | 30.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 99.7 | 43.8 | 165.3 | -52.8 | -24.9 | 0 | 0 | 0 | 119.4 | ||||
| 1184 | R | 26.8 | Very low | 26.5 | Very low | 229 Ų | 229 | 163 Ų | 163 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -116 | 126.1 | 144.5 | -159.7 | 173.3 | -166.3 | 168.8 | 4 | 109.5 | K1186 | R1184-K1186 PolarHBondContact O-N 3.28Š|
| 1185 | P | 28.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 156.6 Ų | 156.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.9 | 178.4 | -18.6 | 29.7 | 0 | 0 | 0 | 110.5 | ||
| 1186 | K | 29.5 | Very low | 26.6 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 128.9 | 175.2 | -74.6 | -177.7 | 175.4 | -177.9 | 0 | 109.8 | R1184 | R1184-K1186 PolarHBondContact O-N 3.28Š|
| 1187 | R | 27.4 | Very low | 26.5 | Very low | 228 Ų | 228 | 153.2 Ų | 153.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.3 | 168.5 | -141.7 | 177.5 | -165.4 | 178.8 | 3.7 | 108.8 | ||
| 1188 | P | 25.7 | Very low | 26.7 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.1 | -175.8 | -13.8 | 28.3 | 0 | 0 | 0 | 111.6 | ||
| 1189 | H | 28.6 | Very low | 26.7 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 140.5 | 167.6 | -78.6 | -80.2 | 0 | 0 | 0 | 110.2 | ||
| 1190 | P | 26.5 | Very low | 27 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 141.6 | 172.3 | 2.3 | 13.2 | 0 | 0 | 0 | 111.4 | ||
| 1191 | H | 21.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.7 | 173.1 | -74.3 | -97.2 | 0 | 0 | 0 | 111.5 | ||
| 1192 | T | 29.5 | Very low | 27 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -136.4 | 117.7 | 155.3 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1193 | D | 23.1 | Very low | 26.7 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -79 | 155.4 | -176.8 | -69.7 | -52.6 | 0 | 0 | 0 | 113.2 | ||||
| 1194 | S | 26.4 | Very low | 26.5 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 72.5 | 147.9 | 148.7 | 76.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1195 | A | 25.3 | Very low | 26.3 | Very low | 64 Ų | 64 | 138.6 Ų | 138.6 | 53% | 0.529 | 78% | 0.775 | S | S | . | * | cis | -174.3 | 159.3 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1196 | H | 27.5 | Very low | 26.1 | Very low | 182 Ų | 182 | 139 Ų | 139 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 71.7 | 144.9 | 157.4 | -51.4 | -58 | 0 | 0 | 0 | 117.6 | ||||
| 1197 | S | 25.2 | Very low | 26 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | cis | 175.3 | 152.8 | -13 | 52.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1198 | H | 26.9 | Very low | 25.8 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | 86.2 | 115.4 | 154.2 | -62.8 | -61.5 | 0 | 0 | 0 | 121.7 | ||||
| 1199 | S | 24 | Very low | 25.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -59.6 | -173.4 | 154.1 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1200 | P | 33.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -143.7 | -176.3 | 10.2 | 39.5 | -16.7 | 0 | 0 | 0 | 117.4 | ||||
| 1201 | S | 24.1 | Very low | 25.8 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -79.7 | 162.3 | -178.3 | -22.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1202 | P | 29.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -136.5 | 127.3 | 141.9 | 34.3 | -18.6 | 0 | 0 | 0 | 111.8 | ||||
| 1203 | L | 22.4 | Very low | 26.2 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | 77.7 | 133.5 | 76 | -88.6 | 178.3 | 0 | 0 | 0 | 117 | |||||
| 1204 | L | 25.2 | Very low | 26.5 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 90.3 | 142.8 | 161.3 | -59.5 | 169.1 | 0 | 0 | 0 | 117.8 | ||||
| 1205 | S | 22 | Very low | 26.5 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | cis | 170.9 | 158.4 | -19.6 | 48.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1206 | N | 25.5 | Very low | 26.4 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 77.1 | 145.3 | 159.8 | -71.9 | 13.1 | 0 | 0 | 0 | 118.7 | ||||
| 1207 | E | 26 | Very low | 26.4 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | cis | -167.5 | 142.5 | -6.6 | -115.2 | 178 | -177.7 | 0 | 0 | 109 | ||||
| 1208 | Q | 24.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 11 | 136.3 | 141.8 | -58.1 | 172.6 | -0.4 | 0 | 0 | 120.6 | ||||
| 1209 | N | 28.4 | Very low | 26.1 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 172.3 | 130.7 | 110.1 | -89.4 | -46.7 | 0 | 0 | 0 | 116.6 | |||||
| 1210 | L | 27.6 | Very low | 26.1 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 77.3 | 111.1 | 134 | -64.9 | 160.7 | 0 | 0 | 0 | 123.8 | ||||
| 1211 | L | 25.5 | Very low | 25.6 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -67.7 | -169.6 | 152.2 | -79 | 155.1 | 0 | 0 | 0 | 112.7 | ||||
| 1212 | P | 36.2 | Very low | 25.5 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -139.9 | 172 | -23.3 | 25.9 | -1.9 | 0 | 0 | 0 | 116.5 | ||||
| 1213 | A | 22.4 | Very low | 25.2 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | 51.2 | 121.1 | 136 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1214 | T | 28 | Very low | 25.2 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -143.8 | 114.1 | 146.6 | 37.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1215 | T | 28 | Very low | 25.1 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | 44.4 | 124.7 | 137.3 | 44.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1216 | A | 22.4 | Very low | 25.1 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -42.7 | 156.8 | 161 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1217 | V | 26.8 | Very low | 25 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | -177.4 | 148.7 | 115.5 | 154.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1218 | D | 22.9 | Very low | 25 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | -53.6 | 151.1 | -165.8 | -79.5 | -65.5 | 0 | 0 | 0 | 122.4 | ||||
| 1219 | Q | 23.7 | Very low | 24.9 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | 58 | 109.9 | 130.5 | -61.7 | 166.4 | 28.9 | 0 | 0 | 120.7 | ||||
| 1220 | S | 23.6 | Very low | 24.7 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 179.2 | 103.6 | 116 | 36.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1221 | I | 22.1 | Very low | 24.5 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -94.1 | 100.3 | 172.3 | -63.4 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 1222 | T | 22.9 | Very low | 24.4 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -149.3 | 136 | 156.9 | 30.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1223 | D | 23.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 93.6 | 108.5 | 163.9 | -59.4 | -24.8 | 0 | 0 | 0 | 119.3 | ||
| 1224 | L | 23.1 | Very low | 23.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | 70.1 | 78.8 | 128 | -64.9 | 162.1 | 0 | 0 | 0 | 117.2 | |||||
| 1225 | C | 22.6 | Very low | 23.8 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -150 | 109.2 | 153.8 | -100.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1226 | S | 22.7 | Very low | 23.6 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 104 | 126.6 | 71.3 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1227 | K | 23.6 | Very low | 23.7 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 66.4 | 115.8 | 155.2 | -73.8 | -176.3 | 166.7 | 179.6 | 0 | 120.5 | ||||
| 1228 | D | 24.2 | Very low | 23.5 | Very low | 131 Ų | 131 | 148 Ų | 148 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 59.7 | 127.3 | 117.7 | -57 | -28.3 | 0 | 0 | 0 | 120.5 | |||||
| 1229 | E | 23.9 | Very low | 23.6 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 83.7 | 145.4 | -65.7 | 177.6 | -174.9 | 0 | 0 | 118.6 | ||||
| 1230 | L | 23.3 | Very low | 23.7 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -147.7 | 83.4 | 139.2 | -127.7 | 112.9 | 0 | 0 | 0 | 110.6 | H1232 | L1230-H1232 PolarHBondContact O-N 2.79Š| ||
| 1231 | F | 22.6 | Very low | 23.8 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 107.9 | 154.4 | -89.7 | -85.2 | 0 | 0 | 0 | 107.6 | ||||
| 1232 | H | 24.9 | Very low | 23.9 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 70% | 0.704 | 78% | 0.778 | S | S | * | * | trans | -149.5 | 96.1 | 153.3 | -107.2 | -65.9 | 0 | 0 | 0 | 110.2 | L1230 | L1230-H1232 PolarHBondContact O-N 2.79Š| ||
| 1233 | I | 24.4 | Very low | 23.9 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | trans | 45.5 | 103.8 | 133.6 | -50.5 | 172.9 | 0 | 0 | 0 | 116.2 | ||||
| 1234 | N | 24.2 | Very low | 23.9 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -138.4 | 53.7 | 151.6 | -96.1 | -21.2 | 0 | 0 | 0 | 108.9 | ||||
| 1235 | D | 24.7 | Very low | 24 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -87.2 | 102.4 | 160.1 | -86.9 | -38.4 | 0 | 0 | 0 | 108 | Q1237 | D1235-Q1237 PolarHBondContact O-N 2.88Š| ||
| 1236 | H | 24.7 | Very low | 23.9 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 73.9 | 160.8 | -77.3 | -74.6 | 0 | 0 | 0 | 109.1 | T1238 | H1236-T1238 PolarHBondContact O-N 2.77Š| ||
| 1237 | Q | 22.8 | Very low | 23.9 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 104.7 | 155.9 | -77.1 | -176 | -0.4 | 0 | 0 | 107.3 | D1235 L1239 | D1235-Q1237 PolarHBondContact O-N 2.88Å; Q1237-L1239 PolarHBondContact O-N 3.07Å | ||
| 1238 | T | 23.8 | Very low | 23.9 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -57.3 | 92.4 | 158.3 | 43.2 | 0 | 0 | 0 | 0 | 108 | H1236 D1240 | H1236-T1238 PolarHBondContact O-N 2.77Å; T1238-D1240 PolarHBondContact O-N 2.81Å | ||
| 1239 | L | 25.6 | Very low | 23.8 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -65.1 | 97.8 | 167.3 | -89.6 | 148.1 | 0 | 0 | 0 | 108 | Q1237 N1241 | Q1237-L1239 PolarHBondContact O-N 3.07Å; L1239-N1241 PolarHBondContact O-N 2.81Å; L1239-N1241 VanDerWaalsContact O-N 3.12Å | ||
| 1240 | D | 24.8 | Very low | 23.8 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -60.2 | 106.6 | 158 | -86.6 | -30.7 | 0 | 0 | 0 | 107.8 | T1238 G1242 | T1238-D1240 PolarHBondContact O-N 2.81Å; D1240-G1242 PolarHBondContact O-N 3.33Å | ||
| 1241 | N | 25.3 | Very low | 23.9 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -63.1 | 94 | 172.4 | -74.5 | -31.5 | 0 | 0 | 0 | 109.3 | L1239 | L1239-N1241 PolarHBondContact O-N 2.81Å; L1239-N1241 VanDerWaalsContact O-N 3.12Å | ||
| 1242 | G | 24.4 | Very low | 23.9 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | -164.3 | 62.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1240 | D1240-G1242 PolarHBondContact O-N 3.33Š| ||
| 1243 | S | 23.6 | Very low | 23.9 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 173.8 | 76.4 | 151.4 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | V1245 | S1243-V1245 PolarHBondContact O-N 3.08Š| ||
| 1244 | T | 23.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 94.6 | 151.3 | 34.9 | 0 | 0 | 0 | 0 | 106.8 | Y1246 | T1244-Y1246 PolarHBondContact O-N 2.7Å; T1244-Y1246 VanDerWaalsContact O-N 3.09Å | ||
| 1245 | V | 23.8 | Very low | 23.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 103.2 | 174.5 | 178 | 0 | 0 | 0 | 0 | 107.8 | S1243 A1247 | S1243-V1245 PolarHBondContact O-N 3.08Å; V1245-A1247 PolarHBondContact O-N 2.87Å | ||
| 1246 | Y | 22.1 | Very low | 23.7 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | trans | -72.3 | 118.2 | 159.1 | -83.1 | -82.6 | 0 | 0 | 0 | 107.1 | H94 T1244 E1248 | H94-Y1246 AromaticContact CE1-CE1 3.27Å; H94-Y1246 WeakPolarHBondContact CE1-CE1 3.19Å; H94-Y1246 AromaticContact CE1-CE2 3.58Å; H94-Y1246 AromaticContact CE1-CZ 3.03Å; H94-Y1246 PolarHBondContact CE1-OH 3.27Å; H94-Y1246 AromaticContact ND1-CD1 3.79Å; H94-Y1246 AromaticContact ND1-CE1 3.4Å; H94-Y1246 WeakPolarHBondContact ND1-CE1 3.49Å; H94-Y1246 AromaticContact ND1-CZ 3.67Å; H94-Y1246 AromaticContact NE2-CZ 3.9Å; H94-Y1246 PolarHBondContact NE2-OH 2.83Å; T1244-Y1246 PolarHBondContact O-N 2.7Å; T1244-Y1246 VanDerWaalsContact O-N 3.09Å; Y1246-E1248 PolarHBondContact O-N 3.49Å | ||
| 1247 | A | 22 | Very low | 23.6 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 105.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1245 V1249 | V1245-A1247 PolarHBondContact O-N 2.87Å; A1247-V1249 PolarHBondContact O-N 2.71Å | ||
| 1248 | E | 22.6 | Very low | 23.7 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | -71.4 | 104.9 | 166.8 | -81.7 | -176.6 | 162.8 | 0 | 0 | 108.8 | F96 Y1246 | F96-E1248 HydrophobicContact CZ-CG 4.27Å; F96-E1248 VanDerWaalsContact CZ-OE1 3.26Å; F96-E1248 WeakPolarHBondContact CZ-OE1 3.3Å; Y1246-E1248 PolarHBondContact O-N 3.49Å | ||
| 1249 | V | 23.2 | Very low | 23.8 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | -76.5 | 120.1 | 168.7 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | A1247 D1251 | A1247-V1249 PolarHBondContact O-N 2.71Å; V1249-D1251 WeakPolarHBondContact CG1-OD2 3.33Å; V1249-D1251 PolarHBondContact O-N 2.69Å; V1249-D1251 VanDerWaalsContact O-N 3.12Å | ||
| 1250 | N | 23.3 | Very low | 23.7 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -64.9 | 100.5 | 172.4 | -70.6 | -53 | 0 | 0 | 0 | 110 | ||||
| 1251 | D | 26.2 | Very low | 23.6 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | -136.7 | 134.9 | 172.7 | -85.4 | -38.5 | 0 | 0 | 0 | 114 | V1249 F1253 | V1249-D1251 WeakPolarHBondContact CG1-OD2 3.33Å; V1249-D1251 PolarHBondContact O-N 2.69Å; V1249-D1251 VanDerWaalsContact O-N 3.12Å; D1251-F1253 PolarHBondContact O-N 3.46Å | ||
| 1252 | A | 21.4 | Very low | 23.5 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 113.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1253 | F | 25.3 | Very low | 23.5 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -122.5 | 93.8 | 161.7 | -84.4 | -81 | 0 | 0 | 0 | 110.8 | D1251 Y1255 | D1251-F1253 PolarHBondContact O-N 3.46Å; F1253-Y1255 PolarHBondContact O-N 3.26Å | ||
| 1254 | V | 22.9 | Very low | 23.6 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -70.4 | 104.9 | 162.8 | 178 | 0 | 0 | 0 | 0 | 107.4 | K1256 | V1254-K1256 PolarHBondContact O-N 2.99Å; V1254-K1256 VanDerWaalsContact O-N 3.13Å | ||
| 1255 | Y | 24.3 | Very low | 23.6 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 70% | 0.698 | 76% | 0.764 | S | S | * | * | trans | -61 | 116.9 | 161.3 | -86.6 | -88.1 | 0 | 0 | 0 | 107.9 | F1253 T1257 | F1253-Y1255 PolarHBondContact O-N 3.26Å; Y1255-T1257 VanDerWaalsContact C-N 3.27Å; Y1255-T1257 PolarHBondContact O-N 3.41Å | ||
| 1256 | K | 21.8 | Very low | 23.6 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 97.2 | 159.8 | -80.9 | -179.6 | 176.5 | 174.9 | 0 | 107.1 | V1254 L1258 | V1254-K1256 PolarHBondContact O-N 2.99Å; V1254-K1256 VanDerWaalsContact O-N 3.13Å; K1256-L1258 VanDerWaalsContact C-N 3.34Å; K1256-L1258 PolarHBondContact O-N 2.89Å | ||
| 1257 | T | 23.8 | Very low | 23.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -59.1 | 102.2 | 160 | 31.3 | 0 | 0 | 0 | 0 | 106.7 | Y1255 P1259 | Y1255-T1257 VanDerWaalsContact C-N 3.27Å; Y1255-T1257 PolarHBondContact O-N 3.41Å; T1257-P1259 VanDerWaalsContact O-CD 3.31Å; T1257-P1259 WeakPolarHBondContact O-CD 3.3Å; T1257-P1259 VanDerWaalsContact O-N 3.15Å | ||
| 1258 | L | 24.6 | Very low | 23.9 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -53.3 | 119.6 | 166.3 | -83.6 | 158.9 | 0 | 0 | 0 | 107 | K1256 Y1260 | K1256-L1258 VanDerWaalsContact C-N 3.34Å; K1256-L1258 PolarHBondContact O-N 2.89Å; L1258-Y1260 PolarHBondContact O-N 3.49Å | ||
| 1259 | P | 26.2 | Very low | 24 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -56.8 | 126 | 174.7 | -19.4 | 30.1 | 0 | 0 | 0 | 107.7 | T1257 C1261 | T1257-P1259 VanDerWaalsContact O-CD 3.31Å; T1257-P1259 WeakPolarHBondContact O-CD 3.3Å; T1257-P1259 VanDerWaalsContact O-N 3.15Å; P1259-C1261 PolarHBondContact O-N 3.33Å | ||
| 1260 | Y | 22.9 | Very low | 24.2 | Very low | 225 Ų | 225 | 144.3 Ų | 144.3 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -45.2 | 115.8 | 167.3 | -89.5 | -100.9 | 0 | 0 | 0 | 108.5 | L1258 S1262 | L1258-Y1260 PolarHBondContact O-N 3.49Å; Y1260-S1262 VanDerWaalsContact C-N 3.3Å; Y1260-S1262 PolarHBondContact O-N 2.91Å | ||
| 1261 | C | 22.2 | Very low | 24.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -56.1 | 101 | 163.8 | -80.4 | 0 | 0 | 0 | 0 | 107 | P1259 S1263 | P1259-C1261 PolarHBondContact O-N 3.33Å; C1261-S1263 PolarHBondContact O-N 3.46Å | ||
| 1262 | S | 23.2 | Very low | 24.1 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -57.2 | 108.2 | 163.5 | 41.7 | 0 | 0 | 0 | 0 | 106.5 | Y1260 S1264 | Y1260-S1262 VanDerWaalsContact C-N 3.3Å; Y1260-S1262 PolarHBondContact O-N 2.91Å; S1262-S1264 PolarHBondContact O-N 2.77Å | ||
| 1263 | S | 24.5 | Very low | 24.2 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -54 | 116.6 | 169.1 | 41.5 | 0 | 0 | 0 | 0 | 107.8 | C1261 G1265 | C1261-S1263 PolarHBondContact O-N 3.46Å; S1263-G1265 VanDerWaalsContact C-N 3.29Å; S1263-G1265 PolarHBondContact O-N 3.06Å | ||
| 1264 | S | 24.8 | Very low | 24.1 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -56.3 | 90.5 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | S1262 F1266 | S1262-S1264 PolarHBondContact O-N 2.77Å; S1264-F1266 PolarHBondContact O-N 2.91Å | ||
| 1265 | G | 25.1 | Very low | 24.3 | Very low | 62 Ų | 62 | 144.4 Ų | 144.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 109.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | S1263 I1267 | S1263-G1265 VanDerWaalsContact C-N 3.29Å; S1263-G1265 PolarHBondContact O-N 3.06Å; G1265-I1267 PolarHBondContact O-N 3.24Å | ||
| 1266 | F | 23 | Very low | 24.3 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -46.8 | 117.1 | 169.3 | -95.9 | -100.9 | 0 | 0 | 0 | 111 | S1264 P1268 | S1264-F1266 PolarHBondContact O-N 2.91Å; F1266-P1268 WeakPolarHBondContact O-CD 3.42Å | ||
| 1267 | I | 24.7 | Very low | 24.3 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 118.4 | 171.4 | -61.8 | 170.4 | 0 | 0 | 0 | 107.6 | G1265 T1269 | G1265-I1267 PolarHBondContact O-N 3.24Å; I1267-T1269 PolarHBondContact O-N 2.77Å | ||
| 1268 | P | 25.6 | Very low | 24.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 114 | 171 | -6 | 23.3 | 0 | 0 | 0 | 108.7 | F1266 K1270 | F1266-P1268 WeakPolarHBondContact O-CD 3.42Å; P1268-K1270 PolarHBondContact O-N 3.33Å; P1268-K1270 VanDerWaalsContact O-N 3.07Å | ||
| 1269 | T | 25.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -49.5 | 108.1 | 168.6 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | I1267 | I1267-T1269 PolarHBondContact O-N 2.77Š| ||
| 1270 | K | 26.9 | Very low | 24.2 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 125.3 | 165.3 | -105.9 | -177.3 | 177.2 | -179.9 | 0 | 108.9 | P1268 | P1268-K1270 PolarHBondContact O-N 3.33Å; P1268-K1270 VanDerWaalsContact O-N 3.07Å | ||
| 1271 | L | 24.4 | Very low | 24.3 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -43.3 | 131.1 | 176.4 | -106.1 | 69.6 | 0 | 0 | 0 | 113.2 | ||||
| 1272 | S | 22.6 | Very low | 24.4 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 132.2 | 160.6 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1273 | S | 25.2 | Very low | 24.5 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -145.9 | 106.6 | 156.6 | 60.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1274 | H | 23.2 | Very low | 24.4 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | 14.8 | 118.9 | 149.5 | -84.7 | -93.9 | 0 | 0 | 0 | 117.9 | D1276 | H1274-D1276 IonicContact ND1-OD1 3.92Š| ||
| 1275 | V | 25.3 | Very low | 24.3 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -126.5 | 112.7 | 157.5 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1276 | D | 24.9 | Very low | 24.3 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | trans | -75.6 | 145.2 | -174.5 | -67.8 | -44.9 | 0 | 0 | 0 | 112.4 | H1274 | H1274-D1276 IonicContact ND1-OD1 3.92Š| ||
| 1277 | H | 22 | Very low | 24.4 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -69 | 129 | 175.9 | -70 | -86.2 | 0 | 0 | 0 | 111.6 | ||||
| 1278 | Y | 24.1 | Very low | 24.2 | Very low | 217 Ų | 217 | 152.2 Ų | 152.2 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -128.8 | 113.3 | 157.3 | -91 | -86.7 | 0 | 0 | 0 | 109.1 | ||||
| 1279 | E | 22.3 | Very low | 24 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -70.1 | 129.5 | 165.8 | -71.5 | 173.1 | 145.6 | 0 | 0 | 109 | ||||
| 1280 | L | 25.7 | Very low | 24.1 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -124 | 106 | 174.6 | -104.2 | 147.2 | 0 | 0 | 0 | 108.2 | ||||
| 1281 | T | 25.1 | Very low | 23.8 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -74.3 | 149.7 | 178.5 | 40.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1282 | D | 23.8 | Very low | 23.6 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -43 | 132.5 | 179.6 | -64.2 | -57.8 | 0 | 0 | 0 | 117 | ||||
| 1283 | S | 25.6 | Very low | 23.6 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -145.5 | 95.5 | 151.8 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1284 | V | 22.1 | Very low | 23.4 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | -94.1 | 149.4 | 173.2 | 162.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1285 | Q | 23.4 | Very low | 23.4 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 79.1 | 107.8 | 173.5 | -71.7 | 165.6 | 14.2 | 0 | 0 | 116.7 | ||||
| 1286 | Q | 25.9 | Very low | 23.4 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | -174.4 | 135.7 | 105.1 | -100.3 | 174.9 | 14 | 0 | 0 | 113.1 | |||||
| 1287 | L | 23.8 | Very low | 23.2 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 76 | 88.5 | 143.7 | -70.8 | 156 | 0 | 0 | 0 | 119.2 | ||||
| 1288 | N | 20.2 | Very low | 23.1 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -42.7 | 144 | 134.8 | -72.2 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 1289 | N | 23.4 | Very low | 23.1 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 119.6 | 105.2 | 160.4 | -64.9 | -22 | 0 | 0 | 0 | 111.6 | ||||
| 1290 | L | 25.9 | Very low | 23.3 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -166.3 | 106.1 | 131.4 | -98.3 | 163.5 | 0 | 0 | 0 | 109.5 | ||||
| 1291 | T | 21.2 | Very low | 23.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -62.2 | 138 | 169.6 | 29 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1292 | L | 19.6 | Very low | 23 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 45.3 | 108.7 | 136.6 | -67.7 | 159.8 | 0 | 0 | 0 | 118.8 | ||||
| 1293 | Y | 22.3 | Very low | 23 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 93% | 0.929 | 78% | 0.779 | S | S | * | * | trans | -152 | 114.4 | 134.7 | -96.4 | -75.8 | 0 | 0 | 0 | 110.6 | ||||
| 1294 | P | 22.5 | Very low | 22.8 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -103.4 | 119.3 | 166.9 | 32.7 | -21.4 | 0 | 0 | 0 | 109.5 | ||||
| 1295 | N | 22.3 | Very low | 23.1 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -171 | 144.9 | 160.7 | -112 | -23.1 | 0 | 0 | 0 | 114.2 | ||||
| 1296 | L | 24.8 | Very low | 22.9 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 75.4 | 143.6 | 155 | -59.5 | 154.4 | 0 | 0 | 0 | 116.2 | ||||
| 1297 | S | 21.6 | Very low | 23.1 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | cis | 174.6 | 136.1 | -15.1 | 46.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1298 | Y | 20.7 | Very low | 23.1 | Very low | 218 Ų | 218 | 144.6 Ų | 144.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 52.2 | 120.6 | 143.5 | -77.6 | -90.4 | 0 | 0 | 0 | 123.1 | ||||
| 1299 | S | 23.4 | Very low | 23.2 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | 100.9 | 136.7 | 127.7 | 79.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1300 | P | 25.6 | Very low | 23.4 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -95.1 | 142.3 | 179.9 | 37 | -30.3 | 0 | 0 | 0 | 111.8 | ||||
| 1301 | Y | 24.7 | Very low | 23.3 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 86% | 0.863 | 77% | 0.765 | S | S | * | * | trans | -125.7 | 145.8 | 166.6 | -101.2 | -84.1 | 0 | 0 | 0 | 112.3 | ||||
| 1302 | T | 21.1 | Very low | 23.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | -77 | 164.9 | -174.5 | 42.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1303 | S | 23.6 | Very low | 23.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 136.7 | 109.1 | 146.9 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1304 | N | 20.9 | Very low | 24 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | 64.2 | 100.5 | 83.8 | -77.7 | -6.6 | 0 | 0 | 0 | 114 | |||||
| 1305 | I | 28.4 | Very low | 24.2 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -134.4 | 117.9 | 151.6 | -63.3 | -178.1 | 0 | 0 | 0 | 108.2 | ||||
| 1306 | C | 20.1 | Very low | 24.2 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | -82.5 | 158.3 | 169.1 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1307 | D | 29.2 | Very low | 24.3 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 165.9 | 110.3 | 134.7 | -85.4 | -28.9 | 0 | 0 | 0 | 110 | ||||
| 1308 | N | 23.6 | Very low | 24.3 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 73.7 | 93.6 | 94 | -73.7 | -31.1 | 0 | 0 | 0 | 113.3 | |||||
| 1309 | T | 22.3 | Very low | 24.5 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | 55.1 | 112.3 | 96.1 | 57.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 1310 | H | 27.6 | Very low | 24.4 | Very low | 186 Ų | 186 | 135 Ų | 135 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 178.2 | 157.4 | 145.2 | -95.2 | -73.3 | 0 | 0 | 0 | 108.6 | ||||
| 1311 | V | 24.7 | Very low | 24.5 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -156.3 | 154.5 | -36.7 | 128.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1312 | N | 23.3 | Very low | 24.3 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -58.8 | 159.4 | 178.4 | -67 | -48 | 0 | 0 | 0 | 115.3 | ||||
| 1313 | G | 24.4 | Very low | 24.5 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 166.6 | 86 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1314 | S | 29.7 | Very low | 24.5 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 152.3 | 145.1 | 47.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1315 | P | 27.2 | Very low | 24.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | -164.4 | -179 | 76 | 38.9 | -13.4 | 0 | 0 | 0 | 118.1 | |||||
| 1316 | V | 21.4 | Very low | 24.4 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | trans | 77.1 | 123.2 | 149.7 | -163.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1317 | L | 27 | Very low | 24.4 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 167.8 | 98.4 | 127.8 | -90.8 | 156.8 | 0 | 0 | 0 | 107.4 | |||||
| 1318 | N | 21.9 | Very low | 24.2 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | 56.9 | 135.7 | 70.7 | -88.9 | 3.7 | 0 | 0 | 0 | 117.1 | |||||
| 1319 | N | 23.6 | Very low | 24.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 97.6 | 102.3 | 161.8 | -59.8 | -9.1 | 0 | 0 | 0 | 116.1 | ||||
| 1320 | T | 22.5 | Very low | 24.3 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 65.9 | 102.1 | 77 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1321 | S | 27.1 | Very low | 24.2 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 104.8 | 150.5 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1322 | E | 21 | Very low | 24.2 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -62.6 | 144.9 | 157.6 | -62.5 | 168.9 | 138.7 | 0 | 0 | 109.7 | ||||
| 1323 | M | 24.6 | Very low | 24.3 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -180 | 113.7 | 136.1 | -88.4 | -139.6 | -179.2 | 0 | 0 | 111.3 | ||||
| 1324 | H | 23.3 | Very low | 24.2 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 48.4 | 122.4 | 136.6 | -64.7 | -70.1 | 0 | 0 | 0 | 123.8 | ||||
| 1325 | H | 22.5 | Very low | 23.8 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | 50 | 110.2 | 135.4 | -58.8 | -60.9 | 0 | 0 | 0 | 120.5 | ||||
| 1326 | S | 24.6 | Very low | 23.7 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 176.9 | 140.1 | 101.8 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | S1328 | S1326-S1328 PolarHBondContact O-N 2.8Š| |||
| 1327 | N | 21.2 | Very low | 23.9 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -69.6 | 119.7 | 176.2 | -77.3 | -43.6 | 0 | 0 | 0 | 110.5 | ||||
| 1328 | S | 24.5 | Very low | 23.6 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -135.1 | 108.7 | 154.7 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | S1326 | S1326-S1328 PolarHBondContact O-N 2.8Š| ||
| 1329 | S | 24.1 | Very low | 23.7 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 2.3 | 121.2 | 156.6 | 50.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1330 | R | 24 | Very low | 23.7 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | -67.2 | 126 | 158.7 | -69.6 | 174.7 | 173.4 | 176 | -2.7 | 110.5 | ||||
| 1331 | L | 24.8 | Very low | 23.7 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -111.3 | 110.6 | 161.9 | -86.7 | 159.5 | 0 | 0 | 0 | 107.9 | ||||
| 1332 | N | 25.7 | Very low | 23.5 | Very low | 160 Ų | 160 | 160.1 Ų | 160.1 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -108.5 | 115.7 | 165 | -101.4 | -16.6 | 0 | 0 | 0 | 106.8 | ||||
| 1333 | P | 25.2 | Very low | 23.6 | Very low | 117 Ų | 117 | 157 Ų | 157 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -101.6 | 97 | 177.5 | 33.6 | -24.1 | 0 | 0 | 0 | 110.3 | ||||
| 1334 | L | 22.1 | Very low | 23.5 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -150.1 | 120.4 | 155.9 | -91.9 | 176.7 | 0 | 0 | 0 | 109.2 | ||||
| 1335 | S | 22.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 81.4 | 134.6 | 174.8 | 75.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1336 | N | 24.3 | Very low | 23.8 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 97.1 | 71.3 | 169.8 | -55.1 | -22.5 | 0 | 0 | 0 | 117.9 | ||||
| 1337 | I | 25.4 | Very low | 23.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | trans | -113.8 | 83.3 | 142.9 | -62.5 | 176 | 0 | 0 | 0 | 106.2 | ||||
| 1338 | L | 20.6 | Very low | 23.9 | Very low | 159 Ų | 159 | 152 Ų | 152 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -161.2 | 84.6 | 167.1 | -106.9 | 167.8 | 0 | 0 | 0 | 106.6 | ||||
| 1339 | S | 23.9 | Very low | 23.8 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 158.7 | 103.6 | 146.5 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1340 | Q | 24.7 | Very low | 23.6 | Very low | 178 Ų | 178 | 156 Ų | 156 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 160.4 | 73.2 | 143 | -88.3 | -179.1 | 12.3 | 0 | 0 | 109.3 | ||||
| 1341 | Y | 21.4 | Very low | 23.6 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -125 | 95.1 | 131 | -95 | -85.1 | 0 | 0 | 0 | 106 | ||||
| 1342 | K | 22.7 | Very low | 23.5 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -130.8 | 98.6 | 175.2 | -163.8 | -176.5 | -169.1 | -176.3 | 0 | 103.1 | ||||
| 1343 | V | 24.7 | Very low | 23.4 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | -130.2 | 113.8 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1344 | S | 22.4 | Very low | 23.3 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 49.2 | 115.8 | 155.1 | 58.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1345 | A | 23.9 | Very low | 23.3 | Very low | 88 Ų | 88 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -51.9 | 136.3 | 149 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1346 | D | 27.4 | Very low | 23.3 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -133.7 | 110.3 | 145.3 | -95.9 | -33.8 | 0 | 0 | 0 | 109.9 | ||||
| 1347 | T | 24.1 | Very low | 23.2 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | -31 | 136.6 | 147.4 | -24.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1348 | F | 23.1 | Very low | 23.3 | Very low | 214 Ų | 214 | 156.4 Ų | 156.4 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | 162.8 | 144.5 | 134.7 | -100.4 | -81.1 | 0 | 0 | 0 | 110.3 | ||||
| 1349 | G | 23.6 | Very low | 23.7 | Very low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 115.8 | 62 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1351 | G1349-T1351 PolarHBondContact O-N 3.05Š| ||
| 1350 | R | 20 | Very low | 23.8 | Very low | 241 Ų | 241 | 157.2 Ų | 157.2 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -60.5 | 117.8 | 146.3 | -80.3 | -178.8 | 172.6 | -172.9 | -1.1 | 108.7 | ||||
| 1351 | T | 23.9 | Very low | 24.1 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -143.2 | 99.5 | 146.3 | 45.3 | 0 | 0 | 0 | 0 | 105.4 | G1349 | G1349-T1351 PolarHBondContact O-N 3.05Š| ||
| 1352 | S | 22.1 | Very low | 24.1 | Very low | 97 Ų | 97 | 152.4 Ų | 152.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | 48.9 | 68.5 | 58.5 | 84 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1353 | L | 24.4 | Very low | 24.4 | Very low | 166 Ų | 166 | 149 Ų | 149 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -130.6 | 83.6 | 145 | -79.4 | 167 | 0 | 0 | 0 | 105.2 | ||||
| 1354 | Q | 22.6 | Very low | 24.5 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 44 | 104.1 | 89.3 | -81.3 | -166.1 | -18.3 | 0 | 0 | 114.2 | |||||
| 1355 | F | 21.3 | Very low | 24.5 | Very low | 150 Ų | 150 | 149 Ų | 149 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | trans | 51.5 | 111.9 | 133.8 | -79.9 | -88.3 | 0 | 0 | 0 | 119 | R1357 | F1355-R1357 HydrophobicContact CD1-CB 3.91Å; F1355-R1357 HydrophobicContact CD1-CG 3.85Å; F1355-R1357 HydrophobicContact CE1-CB 4.24Å; F1355-R1357 HydrophobicContact CE1-CG 3.7Å | ||
| 1356 | N | 23.7 | Very low | 24.7 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -122.2 | 96.9 | 123.5 | -128.6 | -24.9 | 0 | 0 | 0 | 109.8 | |||||
| 1357 | R | 21.8 | Very low | 24.6 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -86 | 107.2 | 157.3 | -102.3 | -171.8 | -179.9 | 170.8 | -4.2 | 106.2 | F1355 | F1355-R1357 HydrophobicContact CD1-CB 3.91Å; F1355-R1357 HydrophobicContact CD1-CG 3.85Å; F1355-R1357 HydrophobicContact CE1-CB 4.24Å; F1355-R1357 HydrophobicContact CE1-CG 3.7Å | ||
| 1358 | R | 27.1 | Very low | 24.8 | Very low | 231 Ų | 231 | 149 Ų | 149 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -148.6 | 139.5 | 148.6 | -75.6 | -162.8 | 175.3 | 169.7 | -2 | 108.1 | ||||
| 1359 | L | 29.6 | Very low | 24.8 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | 91.2 | 56.9 | -169.6 | -52.9 | 174.3 | 0 | 0 | 0 | 115.1 | ||||
| 1360 | T | 25.1 | Very low | 25 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | -33 | 123.6 | 127 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1361 | N | 31.2 | Very low | 25.1 | Very low | 164 Ų | 164 | 145 Ų | 145 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -158.2 | 109 | 132.1 | -93.9 | -19.7 | 0 | 0 | 0 | 109.6 | ||||
| 1362 | L | 22.3 | Very low | 25.1 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 147.3 | 162.1 | -88.3 | 130.4 | 0 | 0 | 0 | 109.4 | A1364 | L1362-A1364 HydrophobicContact CD2-CB 3.99Š| ||
| 1363 | P | 28.6 | Very low | 25.2 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | -132 | 130.9 | 88.8 | 32.3 | -18.6 | 0 | 0 | 0 | 110.8 | |||||
| 1364 | A | 26 | Very low | 25.2 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 55% | 0.554 | 77% | 0.773 | S | S | * | * | 73.9 | 92 | 51.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1362 | L1362-A1364 HydrophobicContact CD2-CB 3.99Š| |||
| 1365 | L | 23.2 | Very low | 25.1 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 59.6 | 155.1 | 143.9 | -73.7 | 139.8 | 0 | 0 | 0 | 119.6 | ||||
| 1366 | P | 27.1 | Very low | 25.2 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -127.7 | 145.1 | 14.4 | 36.4 | -18.4 | 0 | 0 | 0 | 115.8 | ||||
| 1367 | S | 26.2 | Very low | 25.3 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 113.8 | 156.9 | 47.4 | 0 | 0 | 0 | 0 | 108.8 | E1369 | S1367-E1369 PolarHBondContact O-N 2.92Š| ||
| 1368 | N | 27.2 | Very low | 25.4 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 118.9 | 169.5 | -83.9 | -19.8 | 0 | 0 | 0 | 110 | ||||
| 1369 | E | 23.8 | Very low | 25.3 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -68 | 118.8 | 161.5 | -66.7 | 175.2 | 145.8 | 0 | 0 | 109.6 | S1367 | S1367-E1369 PolarHBondContact O-N 2.92Š| ||
| 1370 | I | 27.6 | Very low | 25 | Very low | 150 Ų | 150 | 129 Ų | 129 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -137.8 | 92.2 | 151.5 | -58.8 | -177.1 | 0 | 0 | 0 | 108.2 | ||||
| 1371 | S | 23.2 | Very low | 25 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 14.5 | 104.7 | 144.4 | 44.3 | 0 | 0 | 0 | 0 | 118.7 | S1373 | S1371-S1373 PolarHBondContact O-N 2.84Š| ||
| 1372 | I | 23.9 | Very low | 24.6 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -86.4 | 100.8 | 153.5 | -63.6 | 171.6 | 0 | 0 | 0 | 107.1 | I1374 | I1372-I1374 HydrophobicContact CG2-CD1 3.74Å; I1372-I1374 HydrophobicContact CG2-CG1 3.78Å; I1372-I1374 PolarHBondContact O-N 2.81Å | ||
| 1373 | S | 22.8 | Very low | 24.7 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -80.6 | 91.1 | 169.5 | 44.3 | 0 | 0 | 0 | 0 | 109.6 | S1371 | S1371-S1373 PolarHBondContact O-N 2.84Š| ||
| 1374 | I | 24 | Very low | 24.4 | Very low | 137 Ų | 137 | 128 Ų | 128 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | -100.2 | 100.2 | 161.8 | -67.1 | 165.6 | 0 | 0 | 0 | 106.5 | I1372 T1376 | I1372-I1374 HydrophobicContact CG2-CD1 3.74Å; I1372-I1374 HydrophobicContact CG2-CG1 3.78Å; I1372-I1374 PolarHBondContact O-N 2.81Å; I1374-T1376 PolarHBondContact O-N 3.42Å; I1374-T1376 VanDerWaalsContact O-N 3.17Å | ||
| 1375 | S | 22.2 | Very low | 24.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 102.6 | 171.8 | 44.9 | 0 | 0 | 0 | 0 | 109.5 | H1377 | S1375-H1377 PolarHBondContact O-N 3.47Š| ||
| 1376 | T | 23.3 | Very low | 24.7 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -79.8 | 98.2 | 162.8 | 48.9 | 0 | 0 | 0 | 0 | 108.1 | I1374 | I1374-T1376 PolarHBondContact O-N 3.42Å; I1374-T1376 VanDerWaalsContact O-N 3.17Å | ||
| 1377 | H | 25.1 | Very low | 24.3 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | -78.8 | 124.9 | 164.8 | -97.1 | -75.2 | 0 | 0 | 0 | 110 | S1375 | S1375-H1377 PolarHBondContact O-N 3.47Š| ||
| 1378 | S | 23.5 | Very low | 24.1 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | trans | -51.7 | 151.9 | 165.7 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1379 | D | 25.8 | Very low | 23.8 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | 163.2 | 102.3 | 126 | -79.8 | -15.4 | 0 | 0 | 0 | 108 | |||||
| 1380 | S | 23.6 | Very low | 23.6 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 83 | 142.2 | 79.4 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1381 | N | 25.4 | Very low | 23.4 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 99.1 | 87 | 178.4 | -53.6 | -35.4 | 0 | 0 | 0 | 115.5 | ||||
| 1382 | F | 20.9 | Very low | 23.3 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | 58.1 | 112 | 78.5 | -88 | -90.3 | 0 | 0 | 0 | 115.3 | |||||
| 1383 | S | 25.6 | Very low | 23.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 155.6 | 95.1 | 128.8 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1384 | S | 22.2 | Very low | 23.3 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | 71.8 | 98 | 85.5 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1385 | L | 22 | Very low | 23.2 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 97.2 | 155.7 | 104.2 | -78.7 | 166.2 | 0 | 0 | 0 | 111.4 | |||||
| 1386 | P | 32.6 | Very low | 23.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -135 | 165.9 | -25.3 | 30.9 | -11.4 | 0 | 0 | 0 | 114.2 | ||||
| 1387 | F | 19.8 | Very low | 23.1 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -41.1 | 132.8 | 153.8 | -83.5 | -117.7 | 0 | 0 | 0 | 113.2 | ||||
| 1388 | C | 22.7 | Very low | 23.2 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -133.7 | 108.2 | 148.8 | -94.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1389 | W | 19 | Very low | 23 | Very low | 223 Ų | 223 | 140.3 Ų | 140.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -66.1 | 137 | 156.7 | -75.4 | 5.8 | 0 | 0 | 0 | 109 | ||||
| 1390 | M | 20.6 | Very low | 22.8 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | -173.3 | 154.3 | 116.2 | -100.1 | -151.5 | 146.3 | 0 | 0 | 112.5 | |||||
| 1391 | P | 24.1 | Very low | 22.6 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | trans | -103.8 | 161.5 | -161.8 | 40.7 | -32.7 | 0 | 0 | 0 | 114 | ||||
| 1392 | T | 20.7 | Very low | 22.4 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 44.5 | 100.9 | 144.5 | 55.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1393 | Q | 24.9 | Very low | 22.5 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -118.6 | 117.1 | 145.9 | -69.1 | -176.1 | -11.3 | 0 | 0 | 106 | ||||
| 1394 | A | 22.3 | Very low | 22.4 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | 50.3 | 125.1 | 83.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1395 | I | 21.3 | Very low | 22.3 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | cis | -169.5 | 163.5 | 18 | -99.2 | 161.7 | 0 | 0 | 0 | 104.8 | ||||
| 1396 | P | 23.4 | Very low | 22.5 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -95.3 | 164.9 | -161.1 | 37.5 | -31.9 | 0 | 0 | 0 | 115.4 | ||||
| 1397 | S | 20.5 | Very low | 21.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 44.7 | 95.5 | 144.7 | 61.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1398 | I | 25.5 | Very low | 22.1 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -79.3 | 124.7 | 159.6 | -69.1 | 170.1 | 0 | 0 | 0 | 108.8 | ||||
| 1399 | L | 21 | Very low | 22 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 165 | 172 | -94.7 | 144.6 | 0 | 0 | 0 | 112.1 | ||||
| 1400 | C | 19.7 | Very low | 22.3 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 75.8 | 147.4 | 160.1 | -66.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1401 | S | 21 | Very low | 22.3 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | -176.7 | 140.4 | -16.4 | 45.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1402 | S | 20.8 | Very low | 22.2 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 12.8 | 111.9 | 149.3 | 53.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1403 | Y | 23.9 | Very low | 22.3 | Very low | 237 Ų | 237 | 130.9 Ų | 130.9 | 93% | 0.929 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 119.9 | 149.7 | -97.3 | -87.3 | 0 | 0 | 0 | 109.4 | ||||
| 1404 | S | 22.1 | Very low | 22 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | trans | -91.4 | 162.4 | 170.7 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1405 | N | 21.3 | Very low | 22.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 80.9 | 109.8 | 154.9 | -58.8 | -18.9 | 0 | 0 | 0 | 118.2 | ||||
| 1406 | N | 25.1 | Very low | 22.2 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | -164.7 | 113.6 | 124.6 | -86.5 | -23.8 | 0 | 0 | 0 | 106.4 | |||||
| 1407 | C | 19.4 | Very low | 22.1 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 48.4 | 117.3 | 97.9 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1408 | S | 24.8 | Very low | 22.2 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -172.9 | 142.6 | 54.8 | 47.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 1409 | T | 21 | Very low | 22.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -63 | 142.4 | 165.3 | 40 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1410 | S | 24.8 | Very low | 22.2 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -142 | 99.7 | 143.6 | 62 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1411 | L | 20 | Very low | 22.5 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 134 | 155 | -86.2 | 126 | 0 | 0 | 0 | 108.3 | ||||
| 1412 | C | 23.4 | Very low | 22.6 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -148.4 | 112.7 | 146.7 | -101 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1413 | S | 22.6 | Very low | 22.7 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 43.3 | 109.6 | 140 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1414 | W | 19.1 | Very low | 22.6 | Very low | 259 Ų | 259 | 140.6 Ų | 140.6 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | 55.5 | 96.1 | 83.1 | -81.4 | 26.4 | 0 | 0 | 0 | 114.6 | |||||
| 1415 | S | 24.8 | Very low | 22.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -144.2 | 122.7 | 139.5 | 60.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1416 | T | 22.9 | Very low | 22.6 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -70.5 | 133.2 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1417 | C | 21.6 | Very low | 22.4 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | trans | -155.4 | 108.4 | 145.4 | -113.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1418 | R | 22.5 | Very low | 22.4 | Very low | 221 Ų | 221 | 145.8 Ų | 145.8 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 151.2 | 173 | -88.7 | -178.2 | 172.5 | -179.7 | -1.4 | 110.5 | ||||
| 1419 | Q | 21.8 | Very low | 22.3 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | 50.3 | 110.6 | 141.5 | -68.2 | 175.4 | -27.9 | 0 | 0 | 118 | ||||
| 1420 | H | 23.5 | Very low | 22.4 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | -151.2 | 114.9 | 127.6 | -97.7 | -67.7 | 0 | 0 | 0 | 110.2 | |||||
| 1421 | P | 26 | Very low | 22.2 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -81.6 | 116.4 | 170.8 | 30.4 | -26.9 | 0 | 0 | 0 | 109.4 | T1423 | P1421-T1423 PolarHBondContact O-N 3.29Š| ||
| 1422 | F | 22.9 | Very low | 22.4 | Very low | 183 Ų | 183 | 159 Ų | 159 | 80% | 0.803 | 82% | 0.818 | S | S | * | * | trans | -85.9 | 103.7 | 173.4 | -95 | -86.1 | 0 | 0 | 0 | 110.7 | ||||
| 1423 | T | 23.1 | Very low | 22.3 | Very low | 111 Ų | 111 | 159 Ų | 159 | 68% | 0.681 | 81% | 0.814 | S | S | * | * | trans | 50.7 | 98.4 | 132.9 | 54.7 | 0 | 0 | 0 | 0 | 118.5 | P1421 | P1421-T1423 PolarHBondContact O-N 3.29Š| ||
| 1424 | A | 21.7 | Very low | 22.4 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -60.5 | 128.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N1426 | A1424-N1426 PolarHBondContact O-N 2.95Å; A1424-N1426 VanDerWaalsContact O-N 3.12Å | ||
| 1425 | V | 22.1 | Very low | 22.5 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | trans | -70.3 | 103.9 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | F1427 | V1425-F1427 HydrophobicContact CG1-CD2 4.49Å; V1425-F1427 HydrophobicContact CG1-CE2 4.43Å | ||
| 1426 | N | 21.8 | Very low | 22.4 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -92.7 | 108.9 | 179 | -141.3 | -9.4 | 0 | 0 | 0 | 108.4 | A1424 N1428 | A1424-N1426 PolarHBondContact O-N 2.95Å; A1424-N1426 VanDerWaalsContact O-N 3.12Å; N1426-N1428 PolarHBondContact O-N 3.12Å | ||
| 1427 | F | 20 | Very low | 22.4 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 100.6 | 170.3 | -90.2 | -91.5 | 0 | 0 | 0 | 108.7 | V1425 | V1425-F1427 HydrophobicContact CG1-CD2 4.49Å; V1425-F1427 HydrophobicContact CG1-CE2 4.43Å | ||
| 1428 | N | 20.6 | Very low | 22.3 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -150.8 | 97.9 | 165.8 | -101.1 | -21.7 | 0 | 0 | 0 | 109.2 | N1426 | N1426-N1428 PolarHBondContact O-N 3.12Š| ||
| 1429 | R | 21.7 | Very low | 22.2 | Very low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -178.2 | 92 | 155.2 | -104.8 | 175.3 | -163.1 | -168.1 | 5.4 | 109 | ||||
| 1430 | F | 23.1 | Very low | 22.4 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | trans | -160.1 | 83.2 | 136.5 | -95.6 | -66.9 | 0 | 0 | 0 | 107.6 | ||||
| 1431 | S | 21.4 | Very low | 22.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 117.7 | 156.9 | 52.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1432 | R | 23.5 | Very low | 22.1 | Very low | 241 Ų | 241 | 148.3 Ų | 148.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 94.9 | 146.2 | -113.7 | 176.9 | -170.7 | -176.5 | 2.5 | 109.5 | ||||
| 1433 | V | 21.3 | Very low | 22 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 135.9 | 157.5 | 175.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1434 | P | 25.6 | Very low | 21.9 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 112.3 | 135.7 | 26.3 | -10.7 | 0 | 0 | 0 | 109.3 | ||||
| 1435 | N | 20.2 | Very low | 22.6 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -70 | 121.9 | 161.8 | -88.9 | -21.7 | 0 | 0 | 0 | 108.2 | ||||
| 1436 | V | 23.4 | Very low | 22.7 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 110.1 | 157.3 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1437 | S | 21.9 | Very low | 22.7 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 44.1 | 121.1 | 149.5 | 63.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1438 | A | 19.7 | Very low | 22.8 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -70.1 | 132.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1439 | S | 21.8 | Very low | 23.1 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 166 | 116.1 | 142.2 | 52.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1440 | D | 25 | Very low | 23 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 173 | 98.8 | 127.6 | -82.4 | -18.3 | 0 | 0 | 0 | 110 | |||||
| 1441 | L | 18.8 | Very low | 23.1 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 108.4 | 158 | -88.3 | 157 | 0 | 0 | 0 | 107.2 | ||||
| 1442 | Q | 23.8 | Very low | 23 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -148.5 | 120.8 | 160.2 | -82.7 | -159.6 | -10.1 | 0 | 0 | 113.6 | ||||
| 1443 | Y | 21.7 | Very low | 23 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 71 | 133.9 | 139.9 | -79.1 | -91.9 | 0 | 0 | 0 | 122.4 | ||||
| 1444 | A | 21.2 | Very low | 23.1 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -90.7 | -157.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1445 | P | 35.6 | Very low | 23 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -113.5 | 164.5 | -111.3 | 34.3 | -15.8 | 0 | 0 | 0 | 114.1 | |||||
| 1446 | N | 25 | Very low | 23 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 111.9 | 162.7 | -86.7 | -39.7 | 0 | 0 | 0 | 109.8 | ||||
| 1447 | I | 22.6 | Very low | 23 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | 78.5 | 122.4 | 94.3 | -65.4 | 172.7 | 0 | 0 | 0 | 114.7 | |||||
| 1448 | F | 21.9 | Very low | 23.1 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | trans | -45 | 158.6 | 169 | -88.4 | -92.3 | 0 | 0 | 0 | 115.3 | ||||
| 1449 | P | 26 | Very low | 23.1 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | -147.7 | 150.7 | 97.2 | 32.3 | -12.3 | 0 | 0 | 0 | 116.7 | |||||
| 1450 | L | 19.8 | Very low | 23.1 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -63.1 | 147.4 | 167.3 | -72.4 | 129.7 | 0 | 0 | 0 | 113.7 | ||||
| 1451 | K | 24.6 | Very low | 23.1 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -146.3 | 109.4 | 145.9 | -73.3 | -171.4 | 176.9 | 177 | 0 | 106.9 | ||||
| 1452 | S | 20.5 | Very low | 23.3 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | 46.2 | 129.3 | 82.1 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1453 | S | 21.8 | Very low | 23.1 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | cis | 179.9 | 168.4 | 15 | 43.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1454 | T | 23.3 | Very low | 23.1 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 68.9 | 113.4 | 147.6 | 29.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1455 | F | 24.2 | Very low | 23.1 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | -167.1 | 135.2 | 99.1 | -113.7 | -86.4 | 0 | 0 | 0 | 111.7 | |||||
| 1456 | L | 21.2 | Very low | 22.3 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -86.7 | 152.7 | 174.3 | -78.2 | 149.6 | 0 | 0 | 0 | 110.3 | ||||
| 1457 | G | 22.1 | Very low | 22.2 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 150.1 | 139.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1458 | P | 23.7 | Very low | 22.1 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -124.6 | 174.8 | -150.6 | 39.1 | -20.8 | 0 | 0 | 0 | 115.6 | ||||
| 1459 | L | 20 | Very low | 22 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 65.7 | 112.5 | 149.4 | -71.3 | 156.1 | 0 | 0 | 0 | 119.7 | ||||
| 1460 | T | 22.4 | Very low | 21.9 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -163.4 | 109.2 | 133.9 | 35.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1461 | P | 25.2 | Very low | 21.8 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 122.4 | 163.7 | 19.4 | -2.9 | 0 | 0 | 0 | 109.7 | ||
| 1462 | I | 23.2 | Very low | 21.7 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 120.5 | -177.6 | -66.4 | 167.3 | 0 | 0 | 0 | 109.5 | ||
| 1463 | E | 18.2 | Very low | 21.9 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 146 | 163.4 | -70.2 | 178.7 | 145.2 | 0 | 0 | 110.7 | ||
| 1464 | F | 21.8 | Very low | 21.8 | Very low | 203 Ų | 203 | 143 Ų | 143 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -178.7 | 156.3 | 139.4 | -96.9 | -61.6 | 0 | 0 | 0 | 109.3 | ||||
| 1465 | P | 21.8 | Very low | 21.7 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -125.3 | 175.1 | -124.4 | 25.1 | -0.1 | 0 | 0 | 0 | 114.3 | |||||
| 1466 | C | 18.1 | Very low | 21.5 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -35.1 | 132.1 | 171.7 | -66.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1467 | E | 22.6 | Very low | 21.5 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | trans | -99.1 | 137.7 | 149.3 | -86.6 | -172.5 | 161.2 | 0 | 0 | 111.2 | ||||
| 1468 | S | 20.6 | Very low | 21.6 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -93 | 145.2 | -167.6 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1469 | L | 20.1 | Very low | 21.4 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 31.2 | 136.7 | 135.4 | -75 | 158.4 | 0 | 0 | 0 | 119 | V1471 | L1469-V1471 HydrophobicContact CD2-CG2 4.37Š| ||
| 1470 | P | 23.7 | Very low | 21.5 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -148.8 | 141.1 | 68.9 | 33.6 | -12.4 | 0 | 0 | 0 | 117.2 | |||||
| 1471 | V | 19.6 | Very low | 21.4 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -72.5 | 124.4 | 160.9 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | L1469 | L1469-V1471 HydrophobicContact CD2-CG2 4.37Š| ||
| 1472 | S | 22.1 | Very low | 21.1 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -147.1 | 142.8 | 165.7 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1473 | Q | 24.4 | Very low | 21 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 85.3 | 69.2 | 163.6 | -51.4 | -165 | 5.5 | 0 | 0 | 118.4 | ||||
| 1474 | L | 19.1 | Very low | 21.2 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | -57.9 | 121.1 | 129.3 | -93.7 | 139.5 | 0 | 0 | 0 | 109.4 | |||||
| 1475 | N | 20.8 | Very low | 21.2 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -170.3 | 120.6 | 142.9 | -100.9 | -29.5 | 0 | 0 | 0 | 113.2 | ||||
| 1476 | Q | 21.1 | Very low | 21.1 | Very low | 149 Ų | 149 | 141 Ų | 141 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 45.3 | 121.7 | 134.8 | -50.2 | 174.3 | 8.7 | 0 | 0 | 119.2 | ||||
| 1477 | K | 21.3 | Very low | 21.4 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 169.1 | 142.5 | 102 | -99.4 | 163.1 | -175.6 | 169.5 | 0 | 113.3 | |||||
| 1478 | K | 22.9 | Very low | 21.3 | Very low | 180 Ų | 180 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 78.4 | 94.2 | 144 | -71.6 | 173.9 | 177.9 | -172.9 | 0 | 118.5 | S1480 | K1478-S1480 PolarHBondContact O-N 2.65Š| ||
| 1479 | K | 19.5 | Very low | 21.5 | Very low | 211 Ų | 211 | 138.2 Ų | 138.2 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -38.1 | 118.5 | 136.5 | -66.3 | 172.7 | 175.1 | 178 | 0 | 110.6 | ||||
| 1480 | S | 22.4 | Very low | 21.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -124 | 92 | 156.4 | 47.9 | 0 | 0 | 0 | 0 | 107.8 | K1478 C1482 | K1478-S1480 PolarHBondContact O-N 2.65Å; S1480-C1482 PolarHBondContact O-N 2.65Å | ||
| 1481 | T | 20.1 | Very low | 21.6 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 103.3 | 161.3 | 31.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1482 | C | 19.8 | Very low | 21.7 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -96.7 | 95 | 168.6 | -153.4 | 0 | 0 | 0 | 0 | 107.3 | S1480 V1484 | S1480-C1482 PolarHBondContact O-N 2.65Å; C1482-V1484 VanDerWaalsContact SG-CG2 3.54Å | ||
| 1483 | V | 20.5 | Very low | 21.8 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -77.3 | 111.1 | 160 | 175.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1484 | V | 22.2 | Very low | 21.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -118.3 | 118.1 | 167.2 | 178 | 0 | 0 | 0 | 0 | 107.1 | C1482 | C1482-V1484 VanDerWaalsContact SG-CG2 3.54Š| ||
| 1485 | D | 22.1 | Very low | 21.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | trans | -56.5 | 138.5 | -174.3 | -72.3 | -54.8 | 0 | 0 | 0 | 113.7 | T1487 | D1485-T1487 PolarHBondContact O-N 3.31Š| ||
| 1486 | S | 19.9 | Very low | 22.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -54.8 | 96.3 | 156.2 | 47 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1487 | T | 23.9 | Very low | 22.1 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -127.9 | 100.8 | 164.5 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | D1485 | D1485-T1487 PolarHBondContact O-N 3.31Š| ||
| 1488 | V | 21.9 | Very low | 22.2 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 5 | 110.7 | 142.8 | -174.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1489 | T | 25.2 | Very low | 22.2 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -136.6 | 112.6 | 144.8 | 35.7 | 0 | 0 | 0 | 0 | 109.4 | I1491 | T1489-I1491 PolarHBondContact O-N 2.83Š| ||
| 1490 | N | 21.6 | Very low | 22.4 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -54.3 | 116.3 | 165.9 | -72 | -44.2 | 0 | 0 | 0 | 109.5 | ||||
| 1491 | I | 22.8 | Very low | 22.5 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -117.4 | 105.9 | 156.6 | -59.9 | 178.2 | 0 | 0 | 0 | 106 | T1489 | T1489-I1491 PolarHBondContact O-N 2.83Š| ||
| 1492 | S | 22.2 | Very low | 22.7 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -58.1 | 146.8 | 174 | 41 | 0 | 0 | 0 | 0 | 111.2 | V1494 | S1492-V1494 PolarHBondContact O-N 2.79Š| ||
| 1493 | P | 24.8 | Very low | 22.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 117.1 | -175.9 | 29.2 | -32.2 | 0 | 0 | 0 | 110.2 | T1495 | P1493-T1495 PolarHBondContact O-N 2.98Š| ||
| 1494 | V | 22.9 | Very low | 23.1 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 101.9 | 169 | 176.7 | 0 | 0 | 0 | 0 | 108 | S1492 S1496 | S1492-V1494 PolarHBondContact O-N 2.79Å; V1494-S1496 PolarHBondContact O-N 3.28Å; V1494-S1496 VanDerWaalsContact O-N 3.1Å | ||
| 1495 | T | 23.1 | Very low | 23.3 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -62.9 | 99.6 | 164.1 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | P1493 | P1493-T1495 PolarHBondContact O-N 2.98Š| ||
| 1496 | S | 23.8 | Very low | 23.8 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -96.7 | 109 | 164.9 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | V1494 F1498 | V1494-S1496 PolarHBondContact O-N 3.28Å; V1494-S1496 VanDerWaalsContact O-N 3.1Å; S1496-F1498 PolarHBondContact O-N 3.43Å; S1496-F1498 VanDerWaalsContact O-N 3.14Å | ||
| 1497 | D | 21.9 | Very low | 24.3 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -56.6 | 106.3 | 167.7 | -76.6 | -47.7 | 0 | 0 | 0 | 110.4 | ||||
| 1498 | F | 22.7 | Very low | 24.8 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | -116 | 87 | 156.5 | -90.8 | -76.8 | 0 | 0 | 0 | 109.1 | S1496 | S1496-F1498 PolarHBondContact O-N 3.43Å; S1496-F1498 VanDerWaalsContact O-N 3.14Å | ||
| 1499 | S | 22.7 | Very low | 25.4 | Very low | 94 Ų | 94 | 152.5 Ų | 152.5 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 138.6 | 167.2 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1500 | N | 23.8 | Very low | 25.7 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 58.1 | 83 | 145.5 | -64.9 | -31.7 | 0 | 0 | 0 | 120.5 | ||||
| 1501 | H | 25 | Very low | 26.5 | Very low | 184 Ų | 184 | 148 Ų | 148 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -131.2 | 66.5 | 140.8 | -80.6 | -41.2 | 0 | 0 | 0 | 112.3 | K1503 | H1501-K1503 VanDerWaalsContact C-N 3.29Å; H1501-K1503 PolarHBondContact O-N 3.14Å | ||
| 1502 | R | 23.4 | Very low | 27 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | trans | -72.4 | 84.9 | 157.6 | -84.9 | -176.5 | 176.6 | 172.2 | 0.9 | 109 | R1504 | R1502-R1504 PolarHBondContact O-N 3.21Å; R1502-R1504 VanDerWaalsContact O-N 3.08Å | ||
| 1503 | K | 25.3 | Very low | 27.5 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -68.2 | 103.6 | 164.3 | -77.2 | -175.9 | 178 | 177.5 | 0 | 108.5 | H1501 F1505 | H1501-K1503 VanDerWaalsContact C-N 3.29Å; H1501-K1503 PolarHBondContact O-N 3.14Å; K1503-F1505 PolarHBondContact O-N 3.36Å; K1503-F1505 VanDerWaalsContact O-N 3.14Å | ||
| 1504 | R | 25.1 | Very low | 28.1 | Very low | 240 Ų | 240 | 140.2 Ų | 140.2 | 91% | 0.906 | 71% | 0.706 | S | S | * | * | trans | -59.6 | 108.1 | 171 | -74.8 | 178.6 | 173.7 | 175.7 | -1.1 | 108.8 | R1502 | R1502-R1504 PolarHBondContact O-N 3.21Å; R1502-R1504 VanDerWaalsContact O-N 3.08Å | ||
| 1505 | F | 26.2 | Very low | 28.8 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | trans | -66.6 | 130.5 | 166.1 | -111 | -93.7 | 0 | 0 | 0 | 109.2 | K1503 R1507 | K1503-F1505 PolarHBondContact O-N 3.36Å; K1503-F1505 VanDerWaalsContact O-N 3.14Å; F1505-R1507 PolarHBondContact O-N 2.93Å | ||
| 1506 | P | 31.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 144.2 Ų | 144.2 | 57% | 0.571 | 70% | 0.697 | S | S | * | * | trans | -75.3 | 125.3 | -166.2 | 27.5 | -32.8 | 0 | 0 | 0 | 112.1 | N1508 | P1506-N1508 PolarHBondContact O-N 3.46Š| ||
| 1507 | R | 30.1 | Very low | 29.8 | Very low | 233 Ų | 233 | 147.7 Ų | 147.7 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -0.4 | 176.1 | -97.5 | 179.5 | 172.6 | 175.6 | -2.5 | 115.5 | F1505 | F1505-R1507 PolarHBondContact O-N 2.93Š|
| 1508 | N | 34.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -87.8 | -15.3 | -170.5 | -72.9 | -9.6 | 0 | 0 | 0 | 115.1 | P1506 | P1506-N1508 PolarHBondContact O-N 3.46Å |
| 1509 | I | 35.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80 | -33.9 | 178.2 | -61 | 176.1 | 0 | 0 | 0 | 111.3 | A1513 | I1509-A1513 PolarHBondContact O-N 3.2Å |
| 1510 | L | 32.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.4 | -32.8 | -179.5 | -155.4 | 75.2 | 0 | 0 | 0 | 112.7 | A1513 I1514 | L1510-A1513 PolarHBondContact O-N 3.26Å; L1510-I1514 HydrophobicContact CG-CD1 4.28Å; L1510-I1514 VanDerWaalsContact O-CG1 3.31Å; L1510-I1514 WeakPolarHBondContact O-CG1 3.28Å; L1510-I1514 PolarHBondContact O-N 2.91Å; L1510-I1514 VanDerWaalsContact O-N 3.12Å |
| 1511 | S | 36.9 | Very low | 32.5 | Very low | 63 Ų | 63 | 141 Ų | 141 | 44% | 0.441 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.6 | -32.8 | 176.8 | 89 | 0 | 0 | 0 | 0 | 112.3 | K1515 | S1511-K1515 WeakPolarHBondContact O-CB 3.39Å; S1511-K1515 PolarHBondContact O-N 3.07Å |
| 1512 | S | 34.8 | Very low | 32.9 | Very low | 56 Ų | 56 | 141.7 Ų | 141.7 | 39% | 0.392 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.8 | -45.5 | 172.7 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | I1514 K1515 R1516 | S1512-I1514 PolarHBondContact O-N 3.08Å; S1512-K1515 PolarHBondContact O-N 3.39Å; S1512-R1516 PolarHBondContact O-N 2.88Å |
| 1513 | A | 32.2 | Very low | 33.4 | Very low | 55 Ų | 55 | 138.2 Ų | 138.2 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1509 L1510 R1516 Y1517 | I1509-A1513 PolarHBondContact O-N 3.2Å; L1510-A1513 PolarHBondContact O-N 3.26Å; A1513-R1516 PolarHBondContact O-N 3.28Å; A1513-Y1517 PolarHBondContact O-N 2.98Å |
| 1514 | I | 38.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 48% | 0.482 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.5 | -37.3 | 177.6 | -65.7 | 168.1 | 0 | 0 | 0 | 111.2 | L1510 S1512 Y1517 N1518 | L1510-I1514 HydrophobicContact CG-CD1 4.28Å; L1510-I1514 VanDerWaalsContact O-CG1 3.31Å; L1510-I1514 WeakPolarHBondContact O-CG1 3.28Å; L1510-I1514 PolarHBondContact O-N 2.91Å; L1510-I1514 VanDerWaalsContact O-N 3.12Å; S1512-I1514 PolarHBondContact O-N 3.08Å; I1514-Y1517 PolarHBondContact O-N 2.8Å; I1514-N1518 PolarHBondContact O-N 2.91Å |
| 1515 | K | 37.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.2 | -40.4 | 173.6 | -83.3 | -174.4 | 175.1 | -176.6 | 0 | 112.2 | S1511 S1512 N1518 I1519 | S1511-K1515 WeakPolarHBondContact O-CB 3.39Å; S1511-K1515 PolarHBondContact O-N 3.07Å; S1512-K1515 PolarHBondContact O-N 3.39Å; K1515-N1518 PolarHBondContact O-N 2.9Å; K1515-I1519 WeakPolarHBondContact O-CD1 3.28Å; K1515-I1519 VanDerWaalsContact O-CG1 3.3Å; K1515-I1519 WeakPolarHBondContact O-CG1 3.48Å; K1515-I1519 PolarHBondContact O-N 3.37Å; K1515-I1519 VanDerWaalsContact O-N 3.12Å |
| 1516 | R | 33.8 | Very low | 34.8 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 175.6 | -75 | -173.7 | -176.2 | 178.6 | 1.3 | 112.5 | S1512 A1513 I1519 W1520 | S1512-R1516 PolarHBondContact O-N 2.88Å; A1513-R1516 PolarHBondContact O-N 3.28Å; R1516-I1519 PolarHBondContact O-N 2.83Å; R1516-W1520 PolarHBondContact O-N 2.89Å; R1516-W1520 VanDerWaalsContact O-N 3.13Å |
| 1517 | Y | 33.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -36.7 | 177.2 | -158.7 | -94.1 | 0 | 0 | 0 | 112.6 | A1513 I1514 W1520 S1521 | A1513-Y1517 PolarHBondContact O-N 2.98Å; I1514-Y1517 PolarHBondContact O-N 2.8Å; Y1517-W1520 PolarHBondContact O-N 3.12Å; Y1517-S1521 PolarHBondContact O-N 2.84Å; Y1517-S1521 VanDerWaalsContact O-N 3.1Å; Y1517-S1521 PolarHBondContact O-OG 3Å |
| 1518 | N | 38.5 | Very low | 34.7 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.8 | -25.8 | 176.3 | -77.7 | -17 | 0 | 0 | 0 | 113.7 | I1514 K1515 S1521 R1522 | I1514-N1518 PolarHBondContact O-N 2.91Å; K1515-N1518 PolarHBondContact O-N 2.9Å; N1518-S1521 WeakPolarHBondContact CA-OG 3.25Å; N1518-S1521 PolarHBondContact O-OG 3.25Å; N1518-R1522 PolarHBondContact O-N 2.76Å |
| 1519 | I | 43.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 59% | 0.585 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74 | -40.7 | 172.7 | -68.5 | 163.7 | 0 | 0 | 0 | 110.2 | K1515 R1516 R1522 Y1523 | K1515-I1519 WeakPolarHBondContact O-CD1 3.28Å; K1515-I1519 VanDerWaalsContact O-CG1 3.3Å; K1515-I1519 WeakPolarHBondContact O-CG1 3.48Å; K1515-I1519 PolarHBondContact O-N 3.37Å; K1515-I1519 VanDerWaalsContact O-N 3.12Å; R1516-I1519 PolarHBondContact O-N 2.83Å; I1519-R1522 PolarHBondContact O-N 3.33Å; I1519-Y1523 PolarHBondContact O-N 3.39Å; I1519-Y1523 VanDerWaalsContact O-N 3.13Å |
| 1520 | W | 29.6 | Very low | 34.3 | Very low | 178 Ų | 178 | 126 Ų | 126 | 67% | 0.674 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.4 | -36.7 | -178.4 | -144.6 | 65.3 | 0 | 0 | 0 | 113 | R1516 Y1517 Y1523 M1524 | R1516-W1520 PolarHBondContact O-N 2.89Å; R1516-W1520 VanDerWaalsContact O-N 3.13Å; Y1517-W1520 PolarHBondContact O-N 3.12Å; W1520-Y1523 PolarHBondContact O-N 3.28Å; W1520-M1524 HydrophobicContact CH2-CE 3.95Å; W1520-M1524 HydrophobicContact CZ2-CE 4.17Å; W1520-M1524 HydrophobicContact CZ3-CE 4.37Å; W1520-M1524 PolarHBondContact O-N 3.43Å |
| 1521 | S | 35.7 | Very low | 34.1 | Very low | 49 Ų | 49 | 124.8 Ų | 124.8 | 34% | 0.343 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.1 | -28.6 | 174.9 | 40.8 | 0 | 0 | 0 | 0 | 113.5 | Y1517 N1518 L1525 | Y1517-S1521 PolarHBondContact O-N 2.84Å; Y1517-S1521 VanDerWaalsContact O-N 3.1Å; Y1517-S1521 PolarHBondContact O-OG 3Å; N1518-S1521 WeakPolarHBondContact CA-OG 3.25Å; N1518-S1521 PolarHBondContact O-OG 3.25Å; S1521-L1525 PolarHBondContact O-N 3.26Å |
| 1522 | R | 34.9 | Very low | 33.5 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 75% | 0.751 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.5 | -31.6 | 169.3 | -79.1 | -174.7 | -176.1 | 169.6 | 0.5 | 113 | N1518 I1519 L1525 N1526 | N1518-R1522 PolarHBondContact O-N 2.76Å; I1519-R1522 PolarHBondContact O-N 3.33Å; R1522-L1525 PolarHBondContact O-N 3.04Å; R1522-N1526 PolarHBondContact O-N 2.92Å |
| 1523 | Y | 33.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 65% | 0.647 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.2 | -38 | 177.4 | -129.5 | -86.8 | 0 | 0 | 0 | 112.2 | I1519 W1520 | I1519-Y1523 PolarHBondContact O-N 3.39Å; I1519-Y1523 VanDerWaalsContact O-N 3.13Å; W1520-Y1523 PolarHBondContact O-N 3.28Å |
| 1524 | M | 35.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 60% | 0.596 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.2 | -29.9 | 176.5 | -73.9 | -66.6 | -175.7 | 0 | 0 | 113.6 | W1520 | W1520-M1524 HydrophobicContact CH2-CE 3.95Å; W1520-M1524 HydrophobicContact CZ2-CE 4.17Å; W1520-M1524 HydrophobicContact CZ3-CE 4.37Å; W1520-M1524 PolarHBondContact O-N 3.43Å |
| 1525 | L | 36.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -79.7 | -21.8 | 178.4 | -99.9 | 147.3 | 0 | 0 | 0 | 113.9 | S1521 R1522 S1528 | S1521-L1525 PolarHBondContact O-N 3.26Å; R1522-L1525 PolarHBondContact O-N 3.04Å; L1525-S1528 PolarHBondContact O-OG 2.98Å |
| 1526 | N | 34.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -85.7 | -16.8 | 175.7 | -89.2 | 2.7 | 0 | 0 | 0 | 113.8 | R1522 | R1522-N1526 PolarHBondContact O-N 2.92Å |
| 1527 | N | 30.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 143 Ų | 143 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -1 | 178.1 | -80.5 | -5 | 0 | 0 | 0 | 114.7 | ||
| 1528 | S | 30.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.8 | 173.2 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | L1525 | L1525-S1528 PolarHBondContact O-OG 2.98Š|
| 1529 | R | 29.7 | Very low | 32.4 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -102.1 | 2 | 177.5 | -81.7 | -171.1 | 173.8 | -170.9 | -2 | 115.5 | ||
| 1530 | N | 29.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -117.3 | 38.6 | -178.7 | -81.5 | -0.3 | 0 | 0 | 0 | 114.2 | ||||
| 1531 | S | 28.4 | Very low | 31.8 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -124.1 | 73.7 | 163.2 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1532 | K | 25.2 | Very low | 31.5 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | trans | -104.3 | 93.5 | 151.2 | -87.4 | -172.4 | 173.9 | -173.7 | 0 | 106.3 | ||||
| 1533 | T | 30.6 | Very low | 31.2 | Very low | 210 Ų | 210 | 148.2 Ų | 148.2 | 100% | 1.288 | 76% | 0.758 | S | S | * | * | trans | -158.5 | 0 | 155.4 | 43.3 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 1,533 of 1,533 residues in 742.8 ms
(Link to these results)