| 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 | K | 31 | Very low | 45.2 | Very low | 266 Ų | 266 | 117.2 Ų | 117.2 | 100% | 1.157 | 52% | 0.521 | S | S | * | . | 0 | 98.1 | 0 | -79.3 | 176.6 | 175.2 | 175.9 | 0 | 109.2 | R3 | K1-R3 PolarHBondContact O-N 3.02Š| |||
| 2 | R | 30 | Very low | 48.7 | Very low | 229 Ų | 229 | 116.5 Ų | 116.5 | 86% | 0.864 | 52% | 0.52 | S | S | * | . | trans | -78.4 | 112.6 | 178.6 | -79.1 | 178.3 | 171.2 | 174.5 | -3 | 109.2 | ||||
| 3 | R | 27.7 | Very low | 52 | Low | 243 Ų | 243 | 107.8 Ų | 107.8 | 92% | 0.917 | 48% | 0.483 | S | S | * | . | trans | -86.6 | 114.7 | 170.5 | -102.8 | -179.4 | 169.6 | 177.7 | -3.8 | 108.3 | K1 | K1-R3 PolarHBondContact O-N 3.02Š| ||
| 4 | F | 25 | Very low | 54.8 | Low | 166 Ų | 166 | 107.2 Ų | 107.2 | 73% | 0.728 | 49% | 0.492 | S | S | * | . | trans | -77.3 | 121.6 | 176 | -69 | -88 | 0 | 0 | 0 | 109.8 | ||||
| 5 | L | 26.7 | Very low | 57.1 | Low | 126 Ų | 126 | 105.7 Ų | 105.7 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | trans | -94.7 | 129.3 | 175 | -70.2 | 163.4 | 0 | 0 | 0 | 109.5 | ||||
| 6 | R | 35.3 | Very low | 59 | Low | 126 Ų | 126 | 100.9 Ų | 100.9 | 48% | 0.475 | 47% | 0.469 | S | S | . | . | trans | -152.6 | 140.3 | -179.6 | -81.9 | -170 | -156.4 | 173.6 | 5.7 | 111 | G10 T141 R152 | R6-G10 CarbonylContact O-C 3.4Å; R6-T141 HydrophobicContact CB-CG2 3.59Å; R6-T141 HydrophobicContact CG-CG2 3.94Å; R6-R152 PolarHBondContact O-NH1 2.78Å | ||
| 7 | V | 46.8 | Very low | 60.9 | Low | 4 Ų | 4 | 97.5 Ų | 97.5 | 2% | 0.024 | 46% | 0.46 | C | S | . | . | S | Bend | 60.8 | 138.3 | -122.8 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | G9 G10 T141 R152 V154 | V7-G9 PolarHBondContact O-N 3.4Å; V7-G10 PolarHBondContact O-N 3.47Å; V7-T141 CarbonylContact C-O 3.46Å; V7-T141 VanDerWaalsContact N-CG2 3.26Å; V7-R152 HydrophobicContact CB-CB 4.03Å; V7-R152 HydrophobicContact CG2-CB 3.12Å; V7-R152 HydrophobicContact CG2-CG 3.75Å; V7-V154 HydrophobicContact CG1-CB 3.61Å; V7-V154 HydrophobicContact CG1-CG1 3.67Å; V7-V154 HydrophobicContact CG1-CG2 4.33Å | |
| 8 | V | 55.2 | Low | 62.7 | Low | 22 Ų | 22 | 93.1 Ų | 93.1 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -58.7 | 106.7 | -175.2 | -166.2 | 0 | 0 | 0 | 0 | 106.5 | G10 T141 G198 R199 C233 | V8-G10 VanDerWaalsContact C-N 3.27Å; V8-G10 PolarHBondContact O-N 3.46Å; V8-T141 PolarHBondContact N-O 3.05Å; V8-G198 CarbonylContact C-O 3.55Å; V8-G198 VanDerWaalsContact C-O 3.27Å; V8-R199 VanDerWaalsContact O-CA 3.23Å; V8-R199 WeakPolarHBondContact O-CA 3.04Å; V8-C233 HydrophobicContact CG2-CB 4Å |
| 9 | G | 63.1 | Low | 64.3 | Low | 24 Ų | 24 | 88.9 Ų | 88.9 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118 | V7 G198 | V7-G9 PolarHBondContact O-N 3.4Å; G9-G198 VanDerWaalsContact CA-O 3.29Å; G9-G198 WeakPolarHBondContact CA-O 3.28Å; G9-G198 PolarHBondContact N-O 2.82Å |
| 10 | G | 71.3 | Confident | 65.8 | Low | 4 Ų | 4 | 85.6 Ų | 85.6 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | trans | -98.2 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R6 V7 V8 E153 | R6-G10 CarbonylContact O-C 3.4Å; V7-G10 PolarHBondContact O-N 3.47Å; V8-G10 VanDerWaalsContact C-N 3.27Å; V8-G10 PolarHBondContact O-N 3.46Å; G10-E153 CarbonylContact C-O 3.6Å; G10-E153 VanDerWaalsContact CA-O 3.26Å; G10-E153 WeakPolarHBondContact CA-O 3.27Å | ||
| 11 | T | 84.8 | Confident | 67.3 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 163.8 | -178.2 | 44.6 | 0 | 0 | 0 | 0 | 111.6 | R152 E153 | T11-R152 WeakPolarHBondContact O-CA 3.28Å; T11-E153 PolarHBondContact N-O 3.1Å; T11-E153 PolarHBondContact O-N 2.8Å |
| 12 | Q | 88.2 | Confident | 70.4 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132 | 170.1 | -176.2 | 176.2 | -34 | 0 | 0 | 109.3 | V150 | Q12-V150 HydrophobicContact CG-CG1 3.86Å |
| 13 | A | 90.5 | Very high | 73.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 158.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F67 L151 E153 | A13-F67 HydrophobicContact CB-CE2 4.37Å; A13-F67 WeakPolarHBondContact O-CE2 3.29Å; A13-F67 WeakPolarHBondContact O-CZ 3.4Å; A13-L151 HydrophobicContact CB-CB 4.27Å; A13-L151 HydrophobicContact CB-CD2 3.94Å; A13-L151 HydrophobicContact CB-CG 3.78Å; A13-L151 PolarHBondContact N-O 2.84Å; A13-E153 HydrophobicContact CB-CB 4.4Å; A13-E153 HydrophobicContact CB-CG 4.32Å |
| 14 | T | 91.8 | Very high | 76.8 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 61% | 0.607 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -84.6 | 142.4 | 172.5 | -57.6 | 0 | 0 | 0 | 0 | 108.9 | G16 S17 | T14-G16 PolarHBondContact O-N 3.37Å; T14-S17 PolarHBondContact N-OG 3.19Å; T14-S17 WeakPolarHBondContact O-CB 3.26Å; T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.92Å |
| 15 | Y | 89.6 | Confident | 80.1 | Confident | 84 Ų | 84 | 39.6 Ų | 39.6 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 124 | 178 | -176.9 | -108.9 | 0 | 0 | 0 | 110.8 | S17 F67 D73 D75 | Y15-S17 VanDerWaalsContact C-N 3.34Å; Y15-S17 PolarHBondContact O-N 2.76Å; Y15-F67 HydrophobicContact CD2-CB 3.55Å; Y15-F67 AromaticContact CD2-CD1 3.67Å; Y15-F67 HydrophobicContact CD2-CD1 3.67Å; Y15-F67 AromaticContact CD2-CD2 3.99Å; Y15-F67 HydrophobicContact CD2-CD2 3.99Å; Y15-F67 HydrophobicContact CD2-CE1 4.3Å; Y15-F67 AromaticContact CD2-CG 3.48Å; Y15-F67 HydrophobicContact CD2-CG 3.48Å; Y15-F67 VanDerWaalsContact CD2-CG 3.48Å; Y15-F67 HydrophobicContact CE2-CB 3.69Å; Y15-F67 HydrophobicContact CE2-CD1 4.42Å; Y15-F67 HydrophobicContact CE2-CG 4.15Å; Y15-D73 HydrophobicContact CE2-CB 4.4Å; Y15-D73 WeakPolarHBondContact CE2-OD1 3.08Å; Y15-D75 PolarHBondContact OH-OD2 3.31Å |
| 16 | G | 87.6 | Confident | 83.2 | Confident | 29 Ų | 29 | 36 Ų | 36 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 7.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T14 H18 | T14-G16 PolarHBondContact O-N 3.37Å; G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.84Å |
| 17 | S | 91.2 | Very high | 85.7 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -73.4 | -17.6 | 179.7 | 68 | 0 | 0 | 0 | 0 | 114.4 | T14 Y15 P19 | T14-S17 PolarHBondContact N-OG 3.19Å; T14-S17 WeakPolarHBondContact O-CB 3.26Å; T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.92Å; Y15-S17 VanDerWaalsContact C-N 3.34Å; Y15-S17 PolarHBondContact O-N 2.76Å; S17-P19 VanDerWaalsContact C-CD 3.5Å; S17-P19 WeakPolarHBondContact O-CD 3.43Å |
| 18 | H | 93.5 | Very high | 87.5 | Confident | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -125.5 | 67.1 | 179.1 | -61.9 | -73.4 | 0 | 0 | 0 | 110.7 | G16 W20 L21 A136 L151 E153 | G16-H18 VanDerWaalsContact C-N 3.28Å; G16-H18 PolarHBondContact O-N 2.84Å; H18-W20 AromaticContact ND1-CZ2 3.88Å; H18-W20 PolarHBondContact O-N 3.15Å; H18-W20 VanDerWaalsContact O-N 3.09Å; H18-L21 HydrophobicContact CB-CB 4.04Å; H18-L21 WeakPolarHBondContact O-CB 3.37Å; H18-L21 PolarHBondContact O-N 2.72Å; H18-A136 HydrophobicContact CB-CB 4.41Å; H18-L151 HydrophobicContact CB-CD2 4.41Å; H18-E153 IonicContact CD2-OE2 3.88Å; H18-E153 IonicContact CE1-OE2 3.8Å; H18-E153 PolarHBondContact CE1-OE2 2.92Å; H18-E153 IonicContact NE2-OE2 2.74Å; H18-E153 PolarHBondContact NE2-OE2 2.99Å | ||
| 19 | P | 93.1 | Very high | 89.2 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.2 | -169 | 29.4 | -37.7 | 0 | 0 | 0 | 114.7 | S17 R114 V115 R116 | S17-P19 VanDerWaalsContact C-CD 3.5Å; S17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-R114 VanDerWaalsContact CA-O 3.23Å; P19-R114 WeakPolarHBondContact CA-O 3.38Å; P19-R114 VanDerWaalsContact CB-C 3.44Å; P19-R114 WeakPolarHBondContact CB-O 3.48Å; P19-V115 CarbonylContact O-C 3.57Å; P19-V115 WeakPolarHBondContact O-CA 3.23Å; P19-R116 CarbonylContact C-O 3.48Å; P19-R116 HydrophobicContact CB-CB 4.03Å; P19-R116 HydrophobicContact CB-CG 4.2Å; P19-R116 HydrophobicContact CG-CB 4.15Å; P19-R116 HydrophobicContact CG-CG 4.48Å; P19-R116 PolarHBondContact O-N 3Å |
| 20 | W | 94.7 | Very high | 90.5 | Very high | 21 Ų | 21 | 43 Ų | 43 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.2 | 175.8 | 48.8 | 73.8 | 0 | 0 | 0 | 113.9 | H18 A35 I36 R116 I118 V211 W221 | H18-W20 AromaticContact ND1-CZ2 3.88Å; H18-W20 PolarHBondContact O-N 3.15Å; H18-W20 VanDerWaalsContact O-N 3.09Å; W20-A35 CarbonylContact O-C 3.49Å; W20-A35 VanDerWaalsContact O-CA 3.29Å; W20-A35 WeakPolarHBondContact O-CA 3.25Å; W20-I36 PolarHBondContact O-N 3.49Å; W20-R116 WeakPolarHBondContact CA-O 3.31Å; W20-R116 VanDerWaalsContact CB-O 3.25Å; W20-R116 WeakPolarHBondContact CB-O 3.3Å; W20-R116 PolarHBondContact N-O 3.31Å; W20-I118 HydrophobicContact CB-CB 3.72Å; W20-I118 HydrophobicContact CB-CG2 4.49Å; W20-I118 HydrophobicContact CD2-CB 4.25Å; W20-I118 HydrophobicContact CD2-CD1 3.57Å; W20-I118 HydrophobicContact CD2-CG1 4.36Å; W20-I118 HydrophobicContact CE3-CD1 3.74Å; W20-I118 HydrophobicContact CG-CB 3.81Å; W20-I118 HydrophobicContact CG-CD1 4Å; W20-I118 HydrophobicContact CG-CG1 4.27Å; W20-I118 HydrophobicContact CH2-CD1 4.39Å; W20-I118 HydrophobicContact CZ2-CD1 4.25Å; W20-I118 HydrophobicContact CZ3-CD1 4.14Å; W20-V211 HydrophobicContact CZ2-CG2 4.09Å; W20-W221 HydrophobicContact CH2-CB 3.62Å; W20-W221 AromaticContact CH2-CD1 3.62Å; W20-W221 HydrophobicContact CH2-CD2 4.07Å; W20-W221 AromaticContact CH2-CG 3.47Å; W20-W221 HydrophobicContact CH2-CG 3.47Å; W20-W221 VanDerWaalsContact CH2-CG 3.47Å; W20-W221 HydrophobicContact CZ2-CB 4.17Å; W20-W221 HydrophobicContact CZ2-CD2 4.43Å; W20-W221 HydrophobicContact CZ2-CG 4.16Å; W20-W221 HydrophobicContact CZ3-CB 3.96Å; W20-W221 HydrophobicContact CZ3-CG 4.14Å |
| 21 | L | 96.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139 | -173.8 | -172.3 | 66.8 | 0 | 0 | 0 | 110.5 | H18 A136 W138 L151 P209 | H18-L21 HydrophobicContact CB-CB 4.04Å; H18-L21 WeakPolarHBondContact O-CB 3.37Å; H18-L21 PolarHBondContact O-N 2.72Å; L21-A136 HydrophobicContact CD2-CB 4.16Å; L21-W138 HydrophobicContact CD2-CE3 4.43Å; L21-W138 HydrophobicContact CD2-CH2 3.73Å; L21-W138 HydrophobicContact CD2-CZ2 4.48Å; L21-W138 HydrophobicContact CD2-CZ3 3.69Å; L21-W138 HydrophobicContact CG-CH2 4.08Å; L21-W138 HydrophobicContact CG-CZ3 3.92Å; L21-L151 HydrophobicContact CD2-CD1 3.25Å; L21-L151 HydrophobicContact CD2-CD2 3.87Å; L21-L151 HydrophobicContact CD2-CG 4.21Å; L21-P209 HydrophobicContact CD1-CG 4.25Å |
| 22 | V | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.4 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | I24 G33 G34 I36 I42 V62 L63 V64 | V22-I24 HydrophobicContact CG1-CG1 4.38Å; V22-G33 CarbonylContact O-C 3.44Å; V22-G33 VanDerWaalsContact O-CA 3.23Å; V22-G33 WeakPolarHBondContact O-CA 3.05Å; V22-G34 PolarHBondContact N-O 3.47Å; V22-G34 PolarHBondContact O-N 3.19Å; V22-I36 HydrophobicContact CG2-CD1 4.39Å; V22-I36 HydrophobicContact CG2-CG1 3.5Å; V22-I36 VanDerWaalsContact CG2-CG1 3.5Å; V22-I42 HydrophobicContact CB-CG2 4.19Å; V22-I42 HydrophobicContact CG1-CG2 4.12Å; V22-I42 HydrophobicContact CG2-CD1 3.99Å; V22-I42 HydrophobicContact CG2-CG2 3.98Å; V22-V62 HydrophobicContact CG1-CG1 3.24Å; V22-L63 WeakPolarHBondContact CA-O 3.39Å; V22-L63 WeakPolarHBondContact CG1-O 3.39Å; V22-V64 HydrophobicContact CG1-CG1 4.42Å; V22-V64 HydrophobicContact CG2-CG1 4.06Å |
| 23 | S | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.5 | 167.4 | 167.5 | 0 | 0 | 0 | 0 | 109.4 | Q25 H30 L63 | S23-Q25 WeakPolarHBondContact OG-CG 2.96Å; S23-H30 PolarHBondContact OG-ND1 3.26Å; S23-L63 PolarHBondContact N-O 2.91Å; S23-L63 PolarHBondContact O-N 2.94Å |
| 24 | I | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.7 | 171.9 | -51.4 | 178.1 | 0 | 0 | 0 | 107.6 | V22 F31 C32 G33 T44 F49 V60 | V22-I24 HydrophobicContact CG1-CG1 4.38Å; I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CZ 4.38Å; I24-F31 HydrophobicContact CG2-CE1 3.73Å; I24-F31 HydrophobicContact CG2-CE2 4.41Å; I24-F31 HydrophobicContact CG2-CZ 3.55Å; I24-F31 WeakPolarHBondContact O-CD1 3.01Å; I24-F31 PolarHBondContact O-N 3.15Å; I24-F31 VanDerWaalsContact O-N 3.09Å; I24-C32 WeakPolarHBondContact CA-O 3.19Å; I24-C32 HydrophobicContact CB-CB 4.28Å; I24-C32 WeakPolarHBondContact CB-O 3.18Å; I24-C32 HydrophobicContact CD1-CB 4.47Å; I24-C32 PolarHBondContact N-O 3.33Å; I24-C32 PolarHBondContact O-N 2.86Å; I24-G33 WeakPolarHBondContact CD1-O 3.48Å; I24-T44 HydrophobicContact CD1-CG2 3.99Å; I24-F49 HydrophobicContact CD1-CE2 4.36Å; I24-F49 HydrophobicContact CD1-CZ 4.3Å; I24-F49 HydrophobicContact CG2-CZ 4.23Å; I24-V60 HydrophobicContact CG2-CG1 3.61Å |
| 25 | Q | 94.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.8 | -175.2 | -57.9 | -172.7 | -1.7 | 0 | 0 | 111.1 | S23 G28 S29 H30 V60 T61 L63 | S23-Q25 WeakPolarHBondContact OG-CG 2.96Å; Q25-G28 PolarHBondContact OE1-O 3.1Å; Q25-S29 CarbonylContact C-O 3.47Å; Q25-S29 VanDerWaalsContact CA-O 3.23Å; Q25-S29 WeakPolarHBondContact CA-O 3.35Å; Q25-H30 HydrophobicContact CG-CB 4.34Å; Q25-V60 CarbonylContact O-C 3.38Å; Q25-V60 VanDerWaalsContact O-CA 3.27Å; Q25-V60 WeakPolarHBondContact O-CA 3.22Å; Q25-T61 PolarHBondContact N-O 2.84Å; Q25-T61 PolarHBondContact O-N 2.8Å; Q25-L63 HydrophobicContact CB-CD1 4.38Å; Q25-L63 HydrophobicContact CG-CD1 3.95Å |
| 26 | N | 91 | Very high | 92.8 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.1 | 171 | 179.3 | 1 | 0 | 0 | 0 | 107.6 | G28 S29 F31 S59 | N26-G28 PolarHBondContact O-N 3.08Å; N26-S29 PolarHBondContact N-O 3.48Å; N26-S29 PolarHBondContact O-N 3Å; N26-F31 HydrophobicContact CB-CD1 3.69Å; N26-F31 HydrophobicContact CB-CE1 3.7Å; N26-S59 PolarHBondContact OD1-OG 2.8Å; N26-S59 VanDerWaalsContact OD1-OG 3.13Å |
| 27 | K | 87.8 | Confident | 92.8 | Very high | 182 Ų | 182 | 26.8 Ų | 26.8 | 79% | 0.791 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.7 | -174.9 | -61.5 | 175.8 | -177.4 | -176.3 | 0 | 112.9 | S29 S59 | K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.31Å; K27-S59 PolarHBondContact N-O 3.03Å |
| 28 | G | 86 | Confident | 92.5 | Very high | 55 Ų | 55 | 26.4 Ų | 26.4 | 57% | 0.567 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 1.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q25 N26 | Q25-G28 PolarHBondContact OE1-O 3.1Å; N26-G28 PolarHBondContact O-N 3.08Å |
| 29 | S | 89.4 | Confident | 92 | Very high | 76 Ų | 76 | 28.5 Ų | 28.5 | 53% | 0.531 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.3 | 175 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | Q25 N26 K27 F31 | Q25-S29 CarbonylContact C-O 3.47Å; Q25-S29 VanDerWaalsContact CA-O 3.23Å; Q25-S29 WeakPolarHBondContact CA-O 3.35Å; N26-S29 PolarHBondContact N-O 3.48Å; N26-S29 PolarHBondContact O-N 3Å; K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.31Å; S29-F31 PolarHBondContact O-N 2.84Å |
| 30 | H | 91.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 133.1 | 170.7 | 178.9 | 80.6 | 0 | 0 | 0 | 111.7 | S23 Q25 C32 L69 W138 G204 | S23-H30 PolarHBondContact OG-ND1 3.26Å; Q25-H30 HydrophobicContact CG-CB 4.34Å; H30-C32 VanDerWaalsContact CE1-C 3.49Å; H30-C32 PolarHBondContact CE1-O 2.94Å; H30-C32 PolarHBondContact ND1-O 2.03Å; H30-L69 HydrophobicContact CB-CD1 3.93Å; H30-L69 HydrophobicContact CB-CD2 4.25Å; H30-W138 AromaticContact CE1-CE3 3.65Å; H30-G204 PolarHBondContact NE2-O 2.81Å |
| 31 | F | 89.5 | Confident | 91.7 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 23% | 0.232 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | -25.5 | 175.8 | 73.9 | -91.5 | 0 | 0 | 0 | 114.2 | I24 N26 S29 C48 V60 | I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CZ 4.38Å; I24-F31 HydrophobicContact CG2-CE1 3.73Å; I24-F31 HydrophobicContact CG2-CE2 4.41Å; I24-F31 HydrophobicContact CG2-CZ 3.55Å; I24-F31 WeakPolarHBondContact O-CD1 3.01Å; I24-F31 PolarHBondContact O-N 3.15Å; I24-F31 VanDerWaalsContact O-N 3.09Å; N26-F31 HydrophobicContact CB-CD1 3.69Å; N26-F31 HydrophobicContact CB-CE1 3.7Å; S29-F31 PolarHBondContact O-N 2.84Å; F31-C48 HydrophobicContact CE2-CB 4.04Å; F31-C48 VanDerWaalsContact CE2-O 3.24Å; F31-C48 WeakPolarHBondContact CE2-O 3.08Å; F31-V60 HydrophobicContact CE1-CG2 4.45Å; F31-V60 HydrophobicContact CZ-CG2 4.47Å |
| 32 | C | 93.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156 | 175.2 | -84.7 | 0 | 0 | 0 | 0 | 111.6 | I24 H30 C48 S206 | I24-C32 WeakPolarHBondContact CA-O 3.19Å; I24-C32 HydrophobicContact CB-CB 4.28Å; I24-C32 WeakPolarHBondContact CB-O 3.18Å; I24-C32 HydrophobicContact CD1-CB 4.47Å; I24-C32 PolarHBondContact N-O 3.33Å; I24-C32 PolarHBondContact O-N 2.86Å; H30-C32 VanDerWaalsContact CE1-C 3.49Å; H30-C32 PolarHBondContact CE1-O 2.94Å; H30-C32 PolarHBondContact ND1-O 2.03Å; C32-C48 HydrophobicContact CB-CB 3.78Å; C32-C48 WeakPolarHBondContact CB-SG 3.18Å; C32-C48 WeakPolarHBondContact SG-CB 3.39Å; C32-C48 CovalentContact SG-SG 2.04Å; C32-C48 PolarHBondContact SG-SG 3.28Å; C32-S206 CarbonylContact C-O 3.42Å; C32-S206 VanDerWaalsContact CA-O 3.31Å; C32-S206 WeakPolarHBondContact CA-O 3.29Å; C32-S206 VanDerWaalsContact CB-O 3.3Å; C32-S206 WeakPolarHBondContact CB-O 3.45Å |
| 33 | G | 95 | Very high | 91.7 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 176.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V22 I24 T44 S206 G207 | V22-G33 CarbonylContact O-C 3.44Å; V22-G33 VanDerWaalsContact O-CA 3.23Å; V22-G33 WeakPolarHBondContact O-CA 3.05Å; I24-G33 WeakPolarHBondContact CD1-O 3.48Å; G33-T44 PolarHBondContact O-OG1 3.18Å; G33-S206 PolarHBondContact N-O 2.67Å; G33-G207 CarbonylContact O-C 3.58Å; G33-G207 WeakPolarHBondContact O-CA 3.47Å |
| 34 | G | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -178.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V22 L43 G207 | V22-G34 PolarHBondContact N-O 3.47Å; V22-G34 PolarHBondContact O-N 3.19Å; G34-L43 CarbonylContact C-O 3.58Å; G34-L43 WeakPolarHBondContact CA-O 3.04Å; G34-G207 WeakPolarHBondContact CA-O 3.47Å |
| 35 | A | 96.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W20 L37 I42 L43 I118 P209 | W20-A35 CarbonylContact O-C 3.49Å; W20-A35 VanDerWaalsContact O-CA 3.29Å; W20-A35 WeakPolarHBondContact O-CA 3.25Å; A35-L37 PolarHBondContact O-N 3.28Å; A35-I42 CarbonylContact O-C 3.45Å; A35-I42 WeakPolarHBondContact O-CA 3.22Å; A35-L43 HydrophobicContact CB-CB 4.45Å; A35-L43 PolarHBondContact N-O 2.69Å; A35-L43 PolarHBondContact O-N 3.2Å; A35-I118 HydrophobicContact CB-CG2 3.78Å; A35-P209 HydrophobicContact CB-CB 3.84Å; A35-P209 HydrophobicContact CB-CG 3.79Å |
| 36 | I | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.9 | 175.5 | -55.6 | 173.2 | 0 | 0 | 0 | 109 | W20 V22 T38 I42 V64 M111 V115 P117 I118 | W20-I36 PolarHBondContact O-N 3.49Å; V22-I36 HydrophobicContact CG2-CD1 4.39Å; V22-I36 HydrophobicContact CG2-CG1 3.5Å; V22-I36 VanDerWaalsContact CG2-CG1 3.5Å; I36-T38 WeakPolarHBondContact CG2-O 3.25Å; I36-I42 HydrophobicContact CB-CD1 4.19Å; I36-I42 HydrophobicContact CG1-CD1 3.87Å; I36-I42 HydrophobicContact CG2-CD1 4.39Å; I36-V64 HydrophobicContact CD1-CB 3.94Å; I36-V64 HydrophobicContact CD1-CG1 3.77Å; I36-V64 HydrophobicContact CG1-CG1 4.05Å; I36-M111 HydrophobicContact CG2-CE 4.03Å; I36-V115 HydrophobicContact CD1-CG1 3.8Å; I36-P117 HydrophobicContact CG2-CB 4.12Å; I36-P117 CarbonylContact O-C 3.55Å; I36-P117 WeakPolarHBondContact O-CA 3.47Å; I36-I118 WeakPolarHBondContact O-CG2 3.16Å; I36-I118 PolarHBondContact O-N 2.72Å |
| 37 | L | 86.9 | Confident | 91.6 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | trans | -95.9 | -39.7 | 172 | -65.6 | -175.6 | 0 | 0 | 0 | 112.1 | A35 W41 L43 L102 P117 I118 L120 I264 M268 | A35-L37 PolarHBondContact O-N 3.28Å; L37-W41 HydrophobicContact CB-CB 4.41Å; L37-W41 WeakPolarHBondContact CB-O 3.17Å; L37-W41 PolarHBondContact N-O 3.5Å; L37-L43 HydrophobicContact CD1-CB 3.89Å; L37-L43 HydrophobicContact CD1-CD1 4.43Å; L37-L43 HydrophobicContact CD2-CB 3.99Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L37-L43 HydrophobicContact CG-CB 3.79Å; L37-L102 HydrophobicContact CD1-CD2 3.73Å; L37-P117 WeakPolarHBondContact O-CB 3.4Å; L37-I118 HydrophobicContact CD2-CG2 4.17Å; L37-L120 HydrophobicContact CD2-CD2 3.83Å; L37-L120 HydrophobicContact CD2-CG 4.15Å; L37-I264 HydrophobicContact CD1-CG2 4.01Å; L37-M268 HydrophobicContact CD1-SD 4.15Å | ||
| 38 | T | 85.1 | Confident | 91.8 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 22% | 0.221 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -144 | -175.1 | 179.2 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | I36 R40 W41 M268 | I36-T38 WeakPolarHBondContact CG2-O 3.25Å; T38-R40 PolarHBondContact O-N 2.99Å; T38-R40 PolarHBondContact OG1-N 2.8Å; T38-W41 PolarHBondContact N-O 2.91Å; T38-W41 WeakPolarHBondContact OG1-CB 3.34Å; T38-W41 PolarHBondContact OG1-N 3.37Å; T38-M268 HydrophobicContact CG2-CE 3.5Å |
| 39 | D | 83.3 | Confident | 92 | Very high | 62 Ų | 62 | 19.8 Ų | 19.8 | 33% | 0.332 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -68 | -5.5 | 172.3 | 66 | -11 | 0 | 0 | 0 | 114.7 | H108 V109 M111 | D39-H108 VanDerWaalsContact CG-ND1 3.31Å; D39-H108 CarbonylContact O-C 3.57Å; D39-H108 WeakPolarHBondContact O-CA 3.3Å; D39-H108 IonicContact OD1-ND1 2.66Å; D39-H108 IonicContact OD2-CE1 2.79Å; D39-H108 IonicContact OD2-CG 3.43Å; D39-H108 IonicContact OD2-ND1 3.59Å; D39-H108 PolarHBondContact OD2-ND1 3.3Å; D39-V109 WeakPolarHBondContact O-CG2 2.98Å; D39-V109 PolarHBondContact O-N 2.86Å; D39-M111 HydrophobicContact CB-CE 3.76Å |
| 40 | R | 87.1 | Confident | 91.6 | Very high | 98 Ų | 98 | 20.6 Ų | 20.6 | 37% | 0.37 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -130.6 | -17.9 | 177.4 | -72.2 | -171.3 | -72.7 | -151.1 | 9.7 | 115.5 | T38 E104 L105 H108 | T38-R40 PolarHBondContact O-N 2.99Å; T38-R40 PolarHBondContact OG1-N 2.8Å; R40-E104 WeakPolarHBondContact O-CA 3.36Å; R40-L105 WeakPolarHBondContact O-CG 3.47Å; R40-L105 PolarHBondContact O-N 3.37Å; R40-H108 VanDerWaalsContact CD-CE1 3.46Å; R40-H108 WeakPolarHBondContact CD-CE1 3.41Å; R40-H108 WeakPolarHBondContact CD-NE2 3.43Å; R40-H108 PolarHBondContact NE-CE1 3.01Å; R40-H108 PolarHBondContact NH1-CE1 3.17Å; R40-H108 PolarHBondContact NH1-NE2 2.87Å |
| 41 | W | 92.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 22.3 Ų | 22.3 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.7 | -170.9 | -68.8 | 96.6 | 0 | 0 | 0 | 112.2 | L37 T38 L85 L102 V103 E104 M268 A271 | L37-W41 HydrophobicContact CB-CB 4.41Å; L37-W41 WeakPolarHBondContact CB-O 3.17Å; L37-W41 PolarHBondContact N-O 3.5Å; T38-W41 PolarHBondContact N-O 2.91Å; T38-W41 WeakPolarHBondContact OG1-CB 3.34Å; T38-W41 PolarHBondContact OG1-N 3.37Å; W41-L85 HydrophobicContact CH2-CD1 3.74Å; W41-L85 HydrophobicContact CH2-CG 4.48Å; W41-L85 HydrophobicContact CZ3-CD1 3.8Å; W41-L85 HydrophobicContact CZ3-CG 4.33Å; W41-L102 HydrophobicContact CE3-CB 3.85Å; W41-L102 HydrophobicContact CZ3-CB 3.95Å; W41-V103 WeakPolarHBondContact CA-O 3.49Å; W41-E104 HydrophobicContact CE3-CB 4.12Å; W41-E104 HydrophobicContact CH2-CB 3.66Å; W41-E104 HydrophobicContact CH2-CG 3.92Å; W41-E104 HydrophobicContact CZ2-CB 4.07Å; W41-E104 HydrophobicContact CZ2-CG 3.8Å; W41-E104 HydrophobicContact CZ3-CB 3.69Å; W41-E104 HydrophobicContact CZ3-CG 4.33Å; W41-M268 HydrophobicContact CB-CE 4.45Å; W41-M268 HydrophobicContact CG-CE 4.37Å; W41-M268 HydrophobicContact CG-CG 4.45Å; W41-A271 HydrophobicContact CH2-CB 3.45Å; W41-A271 VanDerWaalsContact CH2-CB 3.45Å; W41-A271 HydrophobicContact CZ2-CB 3.26Å |
| 42 | I | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.5 | 173.5 | -52.1 | -51.9 | 0 | 0 | 0 | 109.9 | V22 A35 I36 V62 L102 V103 L105 | V22-I42 HydrophobicContact CB-CG2 4.19Å; V22-I42 HydrophobicContact CG1-CG2 4.12Å; V22-I42 HydrophobicContact CG2-CD1 3.99Å; V22-I42 HydrophobicContact CG2-CG2 3.98Å; A35-I42 CarbonylContact O-C 3.45Å; A35-I42 WeakPolarHBondContact O-CA 3.22Å; I36-I42 HydrophobicContact CB-CD1 4.19Å; I36-I42 HydrophobicContact CG1-CD1 3.87Å; I36-I42 HydrophobicContact CG2-CD1 4.39Å; I42-V62 HydrophobicContact CG1-CG1 4.13Å; I42-L102 WeakPolarHBondContact O-CA 3.2Å; I42-V103 HydrophobicContact CB-CB 4.19Å; I42-V103 PolarHBondContact N-O 2.87Å; I42-V103 PolarHBondContact O-N 3.35Å; I42-L105 HydrophobicContact CD1-CD1 4.08Å; I42-L105 HydrophobicContact CG1-CD1 4.08Å; I42-L105 HydrophobicContact CG1-CD2 3.96Å; I42-L105 HydrophobicContact CG1-CG 4.13Å |
| 43 | L | 96.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.8 | 170.8 | -175.5 | 65.5 | 0 | 0 | 0 | 110.4 | G34 A35 L37 I100 L102 V223 I226 V257 I264 | G34-L43 CarbonylContact C-O 3.58Å; G34-L43 WeakPolarHBondContact CA-O 3.04Å; A35-L43 HydrophobicContact CB-CB 4.45Å; A35-L43 PolarHBondContact N-O 2.69Å; A35-L43 PolarHBondContact O-N 3.2Å; L37-L43 HydrophobicContact CD1-CB 3.89Å; L37-L43 HydrophobicContact CD1-CD1 4.43Å; L37-L43 HydrophobicContact CD2-CB 3.99Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L37-L43 HydrophobicContact CG-CB 3.79Å; L43-I100 HydrophobicContact CD1-CD1 3.74Å; L43-I100 HydrophobicContact CD1-CG1 3.84Å; L43-L102 HydrophobicContact CD1-CD2 3.81Å; L43-V223 HydrophobicContact CD2-CG1 4.09Å; L43-V223 HydrophobicContact CD2-CG2 4.32Å; L43-I226 HydrophobicContact CD1-CD1 3.68Å; L43-I226 HydrophobicContact CD2-CD1 3.95Å; L43-I226 HydrophobicContact CD2-CG1 4.02Å; L43-I226 HydrophobicContact CG-CD1 3.72Å; L43-I226 HydrophobicContact CG-CG1 4.15Å; L43-V257 HydrophobicContact CD2-CG2 4.21Å; L43-I264 HydrophobicContact CD1-CD1 4.21Å |
| 44 | T | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | -174.6 | 175.6 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | I24 G33 F49 A101 V103 G207 | I24-T44 HydrophobicContact CD1-CG2 3.99Å; G33-T44 PolarHBondContact O-OG1 3.18Å; T44-F49 HydrophobicContact CG2-CD2 4.48Å; T44-F49 HydrophobicContact CG2-CE2 3.71Å; T44-A101 HydrophobicContact CG2-CB 4.19Å; T44-A101 PolarHBondContact N-O 2.81Å; T44-A101 PolarHBondContact O-N 2.85Å; T44-V103 HydrophobicContact CG2-CG2 3.76Å; T44-G207 WeakPolarHBondContact OG1-CA 3.28Å |
| 45 | A | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -88.4 | 146 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H47 C48 I226 | A45-H47 VanDerWaalsContact C-N 3.33Å; A45-H47 PolarHBondContact O-N 2.69Å; A45-C48 WeakPolarHBondContact O-CB 3.09Å; A45-C48 PolarHBondContact O-N 3.34Å; A45-I226 HydrophobicContact CB-CG2 4.03Å | ||
| 46 | A | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -65.7 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C48 F49 I86 Y90 D99 | A46-C48 PolarHBondContact O-N 2.85Å; A46-C48 VanDerWaalsContact O-N 3.07Å; A46-F49 PolarHBondContact O-N 2.94Å; A46-I86 HydrophobicContact CB-CG2 3.8Å; A46-Y90 HydrophobicContact CB-CD1 3.55Å; A46-Y90 HydrophobicContact CB-CD2 3.77Å; A46-Y90 HydrophobicContact CB-CE1 3.66Å; A46-Y90 HydrophobicContact CB-CE2 3.89Å; A46-Y90 HydrophobicContact CB-CG 3.61Å; A46-D99 WeakPolarHBondContact CA-OD1 3.49Å; A46-D99 WeakPolarHBondContact CB-OD1 3.09Å; A46-D99 PolarHBondContact N-OD1 3.49Å |
| 47 | H | 90.1 | Very high | 87.1 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -63.8 | -16.6 | -178.1 | 79 | -101.9 | 0 | 0 | 0 | 114.1 | A45 F49 Y90 M96 D99 S206 S228 | A45-H47 VanDerWaalsContact C-N 3.33Å; A45-H47 PolarHBondContact O-N 2.69Å; H47-F49 PolarHBondContact O-N 2.79Å; H47-Y90 WeakPolarHBondContact CA-OH 3.5Å; H47-Y90 WeakPolarHBondContact CB-OH 3.02Å; H47-M96 HydrophobicContact CB-SD 4.26Å; H47-D99 IonicContact CE1-OD2 2.74Å; H47-D99 IonicContact CG-OD1 2.77Å; H47-D99 IonicContact CG-OD2 3.27Å; H47-D99 PolarHBondContact N-OD1 3.19Å; H47-D99 IonicContact ND1-OD1 3.89Å; H47-D99 PolarHBondContact ND1-OD1 3.36Å; H47-D99 IonicContact ND1-OD2 2.61Å; H47-D99 PolarHBondContact ND1-OD2 2.69Å; H47-S206 WeakPolarHBondContact NE2-CB 3.12Å; H47-S206 PolarHBondContact NE2-OG 3.28Å; H47-S228 PolarHBondContact CE1-O 3.4Å |
| 48 | C | 91.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.3 | 172.6 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | F31 C32 A45 A46 P50 | F31-C48 HydrophobicContact CE2-CB 4.04Å; F31-C48 VanDerWaalsContact CE2-O 3.24Å; F31-C48 WeakPolarHBondContact CE2-O 3.08Å; C32-C48 HydrophobicContact CB-CB 3.78Å; C32-C48 WeakPolarHBondContact CB-SG 3.18Å; C32-C48 WeakPolarHBondContact SG-CB 3.39Å; C32-C48 CovalentContact SG-SG 2.04Å; C32-C48 PolarHBondContact SG-SG 3.28Å; A45-C48 WeakPolarHBondContact O-CB 3.09Å; A45-C48 PolarHBondContact O-N 3.34Å; A46-C48 PolarHBondContact O-N 2.85Å; A46-C48 VanDerWaalsContact O-N 3.07Å; C48-P50 VanDerWaalsContact C-CD 3.47Å; C48-P50 VanDerWaalsContact O-CD 3.23Å; C48-P50 WeakPolarHBondContact O-CD 3.23Å |
| 49 | F | 90.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | trans | -119.2 | 75.8 | -178.7 | -62.5 | -89.8 | 0 | 0 | 0 | 110.5 | I24 T44 A46 H47 S51 F56 L57 V60 L84 I86 V103 | I24-F49 HydrophobicContact CD1-CE2 4.36Å; I24-F49 HydrophobicContact CD1-CZ 4.3Å; I24-F49 HydrophobicContact CG2-CZ 4.23Å; T44-F49 HydrophobicContact CG2-CD2 4.48Å; T44-F49 HydrophobicContact CG2-CE2 3.71Å; A46-F49 PolarHBondContact O-N 2.94Å; H47-F49 PolarHBondContact O-N 2.79Å; F49-S51 PolarHBondContact O-N 3.13Å; F49-S51 VanDerWaalsContact O-N 3.16Å; F49-F56 AromaticContact CD1-CE1 3.96Å; F49-F56 HydrophobicContact CD1-CE1 3.96Å; F49-L57 HydrophobicContact CD1-CD2 4.01Å; F49-L57 HydrophobicContact CE1-CD2 4.31Å; F49-V60 HydrophobicContact CE1-CG1 4.15Å; F49-L84 HydrophobicContact CB-CD2 3.55Å; F49-L84 HydrophobicContact CD1-CD1 4.31Å; F49-L84 HydrophobicContact CD1-CD2 3.49Å; F49-L84 VanDerWaalsContact CD1-CD2 3.49Å; F49-L84 HydrophobicContact CD2-CD1 3.94Å; F49-L84 HydrophobicContact CD2-CD2 4.11Å; F49-L84 HydrophobicContact CE1-CD1 4.36Å; F49-L84 HydrophobicContact CE1-CD2 4.18Å; F49-L84 HydrophobicContact CE2-CD1 4.02Å; F49-L84 HydrophobicContact CG-CD1 4.1Å; F49-L84 HydrophobicContact CG-CD2 3.43Å; F49-L84 VanDerWaalsContact CG-CD2 3.43Å; F49-L84 HydrophobicContact CG-CG 4.44Å; F49-L84 HydrophobicContact CZ-CD1 4.22Å; F49-I86 HydrophobicContact CB-CD1 4.31Å; F49-V103 HydrophobicContact CE2-CG2 4.03Å; F49-V103 HydrophobicContact CZ-CG2 3.9Å | ||
| 50 | P | 80.5 | Confident | 87.9 | Confident | 93 Ų | 93 | 43.1 Ų | 43.1 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -69.5 | -10.8 | -178.7 | 30.4 | -37 | 0 | 0 | 0 | 113.3 | C48 | C48-P50 VanDerWaalsContact C-CD 3.47Å; C48-P50 VanDerWaalsContact O-CD 3.23Å; C48-P50 WeakPolarHBondContact O-CD 3.23Å |
| 51 | S | 76.6 | Confident | 88.3 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | trans | -140.4 | 136.2 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | F49 S53 F56 | F49-S51 PolarHBondContact O-N 3.13Å; F49-S51 VanDerWaalsContact O-N 3.16Å; S51-S53 VanDerWaalsContact C-N 3.33Å; S51-S53 WeakPolarHBondContact OG-CB 3.35Å; S51-S53 PolarHBondContact OG-N 3.5Å; S51-S53 PolarHBondContact OG-OG 3.39Å; S51-F56 VanDerWaalsContact O-CD1 3.3Å; S51-F56 WeakPolarHBondContact O-CD1 3.26Å | ||
| 52 | L | 76.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 39.2 Ų | 39.2 | 56% | 0.56 | 23% | 0.234 | S | C | * | . | trans | -94.2 | 14.8 | 171.8 | -61.7 | 178.9 | 0 | 0 | 0 | 112.5 | L84 I86 | L52-L84 HydrophobicContact CD2-CD2 3.52Å; L52-L84 HydrophobicContact CD2-CG 4.3Å; L52-I86 HydrophobicContact CD2-CD1 3.73Å; L52-I86 HydrophobicContact CD2-CG1 4.43Å; L52-I86 HydrophobicContact CG-CD1 4.43Å | ||
| 53 | S | 80.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | trans | -67.2 | 138.1 | 179.6 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | S51 V55 F56 L57 | S51-S53 VanDerWaalsContact C-N 3.33Å; S51-S53 WeakPolarHBondContact OG-CB 3.35Å; S51-S53 PolarHBondContact OG-N 3.5Å; S51-S53 PolarHBondContact OG-OG 3.39Å; S53-V55 PolarHBondContact O-N 3.11Å; S53-V55 VanDerWaalsContact O-N 3.11Å; S53-F56 PolarHBondContact O-N 2.71Å; S53-F56 WeakPolarHBondContact OG-CB 3.45Å; S53-F56 PolarHBondContact OG-N 3.47Å; S53-L57 PolarHBondContact O-N 3.04Å | ||
| 54 | N | 77.6 | Confident | 88.5 | Confident | 139 Ų | 139 | 39.5 Ų | 39.5 | 74% | 0.743 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -55.8 | -30.8 | 176.5 | -70.2 | -13.4 | 0 | 0 | 0 | 112.4 | S58 | N54-S58 VanDerWaalsContact O-CB 3.28Å; N54-S58 WeakPolarHBondContact O-CB 3.38Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 3.04Å |
| 55 | V | 79.8 | Confident | 88.3 | Confident | 118 Ų | 118 | 40 Ų | 40 | 72% | 0.715 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66 | -39.9 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | S53 S58 | S53-V55 PolarHBondContact O-N 3.11Å; S53-V55 VanDerWaalsContact O-N 3.11Å; V55-S58 PolarHBondContact O-OG 3.01Å; V55-S58 VanDerWaalsContact O-OG 3.08Å |
| 56 | F | 84.3 | Confident | 88.3 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.2 | -49.7 | 176 | -178.8 | -104.4 | 0 | 0 | 0 | 110.9 | F49 S51 S53 S58 S59 V60 | F49-F56 AromaticContact CD1-CE1 3.96Å; F49-F56 HydrophobicContact CD1-CE1 3.96Å; S51-F56 VanDerWaalsContact O-CD1 3.3Å; S51-F56 WeakPolarHBondContact O-CD1 3.26Å; S53-F56 PolarHBondContact O-N 2.71Å; S53-F56 WeakPolarHBondContact OG-CB 3.45Å; S53-F56 PolarHBondContact OG-N 3.47Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 3.31Å; F56-S59 PolarHBondContact O-N 3.05Å; F56-S59 PolarHBondContact O-OG 3.42Å; F56-V60 HydrophobicContact CD1-CG2 4.3Å; F56-V60 HydrophobicContact CE1-CG2 3.93Å; F56-V60 HydrophobicContact CZ-CG2 4.07Å; F56-V60 WeakPolarHBondContact O-CG2 3.21Å; F56-V60 PolarHBondContact O-N 2.79Å |
| 57 | L | 86.7 | Confident | 88.2 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | -177.3 | -64.7 | 177.2 | 0 | 0 | 0 | 113 | F49 S53 S59 V60 V81 L84 | F49-L57 HydrophobicContact CD1-CD2 4.01Å; F49-L57 HydrophobicContact CE1-CD2 4.31Å; S53-L57 PolarHBondContact O-N 3.04Å; L57-S59 PolarHBondContact O-N 2.93Å; L57-V60 PolarHBondContact O-N 2.84Å; L57-V60 VanDerWaalsContact O-N 3.16Å; L57-V81 HydrophobicContact CD2-CG1 4.46Å; L57-L84 HydrophobicContact CD2-CD2 3.9Å |
| 58 | S | 86.4 | Confident | 88.3 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 66% | 0.657 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.9 | -20.2 | 174.9 | 54 | 0 | 0 | 0 | 0 | 114.1 | N54 V55 F56 | N54-S58 VanDerWaalsContact O-CB 3.28Å; N54-S58 WeakPolarHBondContact O-CB 3.38Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 3.04Å; V55-S58 PolarHBondContact O-OG 3.01Å; V55-S58 VanDerWaalsContact O-OG 3.08Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 3.31Å |
| 59 | S | 89.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -88.4 | -8.3 | 174.5 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | N26 K27 F56 L57 | N26-S59 PolarHBondContact OD1-OG 2.8Å; N26-S59 VanDerWaalsContact OD1-OG 3.13Å; K27-S59 PolarHBondContact N-O 3.03Å; F56-S59 PolarHBondContact O-N 3.05Å; F56-S59 PolarHBondContact O-OG 3.42Å; L57-S59 PolarHBondContact O-N 2.93Å |
| 60 | V | 94.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.4 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | I24 Q25 F31 F49 F56 L57 V81 | I24-V60 HydrophobicContact CG2-CG1 3.61Å; Q25-V60 CarbonylContact O-C 3.38Å; Q25-V60 VanDerWaalsContact O-CA 3.27Å; Q25-V60 WeakPolarHBondContact O-CA 3.22Å; F31-V60 HydrophobicContact CE1-CG2 4.45Å; F31-V60 HydrophobicContact CZ-CG2 4.47Å; F49-V60 HydrophobicContact CE1-CG1 4.15Å; F56-V60 HydrophobicContact CD1-CG2 4.3Å; F56-V60 HydrophobicContact CE1-CG2 3.93Å; F56-V60 HydrophobicContact CZ-CG2 4.07Å; F56-V60 WeakPolarHBondContact O-CG2 3.21Å; F56-V60 PolarHBondContact O-N 2.79Å; L57-V60 PolarHBondContact O-N 2.84Å; L57-V60 VanDerWaalsContact O-N 3.16Å; V60-V81 HydrophobicContact CB-CG2 4.37Å; V60-V81 HydrophobicContact CG1-CG2 3.95Å |
| 61 | T | 96.3 | Very high | 88.7 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.2 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | Q25 V78 F79 | Q25-T61 PolarHBondContact N-O 2.84Å; Q25-T61 PolarHBondContact O-N 2.8Å; T61-V78 HydrophobicContact CG2-CG1 4.35Å; T61-F79 WeakPolarHBondContact CA-O 3.37Å |
| 62 | V | 97.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.8 | -179.2 | -175 | 0 | 0 | 0 | 0 | 108.5 | V22 I42 F79 V81 V103 L105 | V22-V62 HydrophobicContact CG1-CG1 3.24Å; I42-V62 HydrophobicContact CG1-CG1 4.13Å; V62-F79 HydrophobicContact CB-CB 4.39Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 2.83Å; V62-V81 HydrophobicContact CG2-CG2 3.99Å; V62-V103 HydrophobicContact CG2-CG1 4.34Å; V62-L105 HydrophobicContact CB-CD2 3.87Å; V62-L105 HydrophobicContact CG1-CD2 3.9Å; V62-L105 HydrophobicContact CG2-CD2 4.04Å |
| 63 | L | 96.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.1 | -177.3 | -72.8 | 75.3 | 0 | 0 | 0 | 110.2 | V22 S23 Q25 E66 E76 Q77 V78 | V22-L63 WeakPolarHBondContact CA-O 3.39Å; V22-L63 WeakPolarHBondContact CG1-O 3.39Å; S23-L63 PolarHBondContact N-O 2.91Å; S23-L63 PolarHBondContact O-N 2.94Å; Q25-L63 HydrophobicContact CB-CD1 4.38Å; Q25-L63 HydrophobicContact CG-CD1 3.95Å; L63-E66 HydrophobicContact CB-CB 4.4Å; L63-E76 HydrophobicContact CD2-CG 4.35Å; L63-E76 WeakPolarHBondContact CD2-OE1 3.01Å; L63-Q77 WeakPolarHBondContact CA-O 3.3Å; L63-V78 HydrophobicContact CD1-CG1 4.23Å; L63-V78 HydrophobicContact CD2-CG2 4.46Å; L63-V78 HydrophobicContact CG-CG1 4.39Å; L63-V78 HydrophobicContact CG-CG2 4.16Å |
| 64 | V | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 154.1 | 173 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | V22 I36 E66 E76 Q77 F79 V109 V115 | V22-V64 HydrophobicContact CG1-CG1 4.42Å; V22-V64 HydrophobicContact CG2-CG1 4.06Å; I36-V64 HydrophobicContact CD1-CB 3.94Å; I36-V64 HydrophobicContact CD1-CG1 3.77Å; I36-V64 HydrophobicContact CG1-CG1 4.05Å; V64-E66 PolarHBondContact O-N 3.42Å; V64-E76 VanDerWaalsContact O-CA 3.31Å; V64-E76 WeakPolarHBondContact O-CA 3.38Å; V64-Q77 HydrophobicContact CG2-CB 3.73Å; V64-Q77 HydrophobicContact CG2-CG 4.45Å; V64-Q77 PolarHBondContact N-O 2.03Å; V64-Q77 VanDerWaalsContact N-O 3.08Å; V64-Q77 PolarHBondContact O-N 2.95Å; V64-F79 HydrophobicContact CG2-CD2 4.49Å; V64-F79 HydrophobicContact CG2-CE2 3.77Å; V64-V109 HydrophobicContact CG2-CG1 3.97Å; V64-V115 HydrophobicContact CB-CG1 4.14Å; V64-V115 HydrophobicContact CG2-CG1 3.84Å; V64-V115 HydrophobicContact CG2-CG2 4.43Å |
| 65 | G | 93.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 75.6 | 1.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 66 | E | 93.7 | Very high | 91.6 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -68.8 | 142 | 176.7 | 170.2 | 63.2 | -99.6 | 0 | 0 | 112.1 | L63 V64 D68 L69 W138 | L63-E66 HydrophobicContact CB-CB 4.4Å; V64-E66 PolarHBondContact O-N 3.42Å; E66-D68 WeakPolarHBondContact OE1-CA 3.24Å; E66-D68 PolarHBondContact OE1-N 3.46Å; E66-L69 HydrophobicContact CG-CD2 3.85Å; E66-L69 PolarHBondContact OE1-N 2.83Å; E66-W138 HydrophobicContact CB-CH2 4.3Å; E66-W138 HydrophobicContact CB-CZ2 4.27Å; E66-W138 HydrophobicContact CG-CH2 3.97Å; E66-W138 HydrophobicContact CG-CZ2 3.64Å; E66-W138 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 67 | F | 93 | Very high | 92.1 | Very high | 26 Ų | 26 | 51 Ų | 51 | 11% | 0.114 | 26% | 0.257 | C | S | . | . | trans | -138.3 | -43.9 | 176.6 | 178.6 | -101.9 | 0 | 0 | 0 | 113.2 | A13 Y15 D73 W138 V150 L151 | A13-F67 HydrophobicContact CB-CE2 4.37Å; A13-F67 WeakPolarHBondContact O-CE2 3.29Å; A13-F67 WeakPolarHBondContact O-CZ 3.4Å; Y15-F67 HydrophobicContact CD2-CB 3.55Å; Y15-F67 AromaticContact CD2-CD1 3.67Å; Y15-F67 HydrophobicContact CD2-CD1 3.67Å; Y15-F67 AromaticContact CD2-CD2 3.99Å; Y15-F67 HydrophobicContact CD2-CD2 3.99Å; Y15-F67 HydrophobicContact CD2-CE1 4.3Å; Y15-F67 AromaticContact CD2-CG 3.48Å; Y15-F67 HydrophobicContact CD2-CG 3.48Å; Y15-F67 VanDerWaalsContact CD2-CG 3.48Å; Y15-F67 HydrophobicContact CE2-CB 3.69Å; Y15-F67 HydrophobicContact CE2-CD1 4.42Å; Y15-F67 HydrophobicContact CE2-CG 4.15Å; F67-D73 WeakPolarHBondContact CA-OD2 3.36Å; F67-D73 WeakPolarHBondContact CB-OD2 3.3Å; F67-D73 PolarHBondContact N-OD2 3.08Å; F67-W138 PolarHBondContact O-NE1 2.94Å; F67-W138 VanDerWaalsContact O-NE1 3.16Å; F67-V150 HydrophobicContact CD1-CG1 4.14Å; F67-V150 HydrophobicContact CE1-CG1 3.5Å; F67-V150 HydrophobicContact CE2-CG1 4.39Å; F67-V150 HydrophobicContact CZ-CG1 3.65Å; F67-L151 HydrophobicContact CD2-CB 3.76Å; F67-L151 HydrophobicContact CD2-CD2 4.13Å; F67-L151 HydrophobicContact CE2-CB 4.03Å; F67-L151 HydrophobicContact CG-CB 4.46Å; F67-L151 PolarHBondContact O-N 3.5Å | ||
| 68 | D | 92.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 101 | 177.4 | -173.2 | -3.4 | 0 | 0 | 0 | 112.1 | E66 R70 V71 D73 A149 V150 | E66-D68 WeakPolarHBondContact OE1-CA 3.24Å; E66-D68 PolarHBondContact OE1-N 3.46Å; D68-R70 PolarHBondContact O-N 3.4Å; D68-R70 IonicContact OD1-CZ 2.53Å; D68-R70 PolarHBondContact OD1-N 3.07Å; D68-R70 IonicContact OD1-NE 3.27Å; D68-R70 PolarHBondContact OD1-NE 3.45Å; D68-R70 IonicContact OD1-NH2 3.42Å; D68-R70 PolarHBondContact OD1-NH2 3.33Å; D68-R70 IonicContact OD2-CZ 2.67Å; D68-R70 IonicContact OD2-NE 3.22Å; D68-R70 IonicContact OD2-NH2 3.03Å; D68-R70 PolarHBondContact OD2-NH2 3.37Å; D68-V71 HydrophobicContact CB-CG2 3.91Å; D68-V71 PolarHBondContact O-N 3.07Å; D68-D73 PolarHBondContact N-OD2 3.08Å; D68-A149 WeakPolarHBondContact CA-O 3.31Å; D68-V150 HydrophobicContact CB-CG2 4.29Å |
| 69 | L | 90.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -0.1 | -174.5 | -62.9 | 171.7 | 0 | 0 | 0 | 116.1 | H30 E66 W138 I147 A149 | H30-L69 HydrophobicContact CB-CD1 3.93Å; H30-L69 HydrophobicContact CB-CD2 4.25Å; E66-L69 HydrophobicContact CG-CD2 3.85Å; E66-L69 PolarHBondContact OE1-N 2.83Å; L69-W138 HydrophobicContact CD1-CB 3.78Å; L69-W138 HydrophobicContact CD1-CD2 4.37Å; L69-W138 HydrophobicContact CD1-CG 3.64Å; L69-W138 HydrophobicContact CD2-CD2 4.49Å; L69-W138 HydrophobicContact CG-CD2 4.46Å; L69-W138 HydrophobicContact CG-CG 4.09Å; L69-I147 HydrophobicContact CD1-CG2 4.35Å; L69-A149 PolarHBondContact N-O 2.83Å |
| 70 | R | 88.5 | Confident | 93.4 | Very high | 174 Ų | 174 | 50.7 Ų | 50.7 | 66% | 0.657 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -18.1 | 178.7 | -65.4 | 170.4 | -62.6 | 167 | 3.6 | 113 | D68 A149 | D68-R70 PolarHBondContact O-N 3.4Å; D68-R70 IonicContact OD1-CZ 2.53Å; D68-R70 PolarHBondContact OD1-N 3.07Å; D68-R70 IonicContact OD1-NE 3.27Å; D68-R70 PolarHBondContact OD1-NE 3.45Å; D68-R70 IonicContact OD1-NH2 3.42Å; D68-R70 PolarHBondContact OD1-NH2 3.33Å; D68-R70 IonicContact OD2-CZ 2.67Å; D68-R70 IonicContact OD2-NE 3.22Å; D68-R70 IonicContact OD2-NH2 3.03Å; D68-R70 PolarHBondContact OD2-NH2 3.37Å; R70-A149 VanDerWaalsContact CD-CB 3.44Å; R70-A149 HydrophobicContact CG-CB 3.64Å |
| 71 | V | 91 | Very high | 93.3 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -136.3 | 149.9 | -172.7 | -62.8 | 0 | 0 | 0 | 0 | 109.3 | D68 D73 | D68-V71 HydrophobicContact CB-CG2 3.91Å; D68-V71 PolarHBondContact O-N 3.07Å; V71-D73 PolarHBondContact O-N 3.39Å |
| 72 | E | 89.3 | Confident | 93.1 | Very high | 173 Ų | 173 | 56.1 Ų | 56.1 | 81% | 0.808 | 27% | 0.272 | S | S | * | . | trans | -75.4 | 116.5 | 173.8 | -173.1 | 176.8 | -174.1 | 0 | 0 | 109.3 | ||||
| 73 | D | 89.3 | Confident | 92.7 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | trans | -78.1 | 150.6 | 179 | -83.4 | -61.8 | 0 | 0 | 0 | 111.7 | Y15 F67 D68 V71 D75 E76 | Y15-D73 HydrophobicContact CE2-CB 4.4Å; Y15-D73 WeakPolarHBondContact CE2-OD1 3.08Å; F67-D73 WeakPolarHBondContact CA-OD2 3.36Å; F67-D73 WeakPolarHBondContact CB-OD2 3.3Å; F67-D73 PolarHBondContact N-OD2 3.08Å; D68-D73 PolarHBondContact N-OD2 3.08Å; V71-D73 PolarHBondContact O-N 3.39Å; D73-D75 PolarHBondContact O-N 3.18Å; D73-D75 VanDerWaalsContact O-N 3.08Å; D73-E76 HydrophobicContact CB-CB 4.13Å; D73-E76 PolarHBondContact N-OE2 3.04Å; D73-E76 VanDerWaalsContact N-OE2 3.12Å; D73-E76 WeakPolarHBondContact O-CB 3.37Å; D73-E76 PolarHBondContact O-N 3.42Å | ||
| 74 | K | 88.7 | Confident | 92.5 | Very high | 185 Ų | 185 | 58.5 Ų | 58.5 | 80% | 0.804 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.3 | -173.8 | -178.1 | 178.7 | 177.8 | -177.7 | 0 | 114.5 | ||
| 75 | D | 90 | Very high | 92.2 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 11.6 | -176.4 | -50.9 | -111.1 | 0 | 0 | 0 | 111.8 | Y15 D73 R114 V115 | Y15-D75 PolarHBondContact OH-OD2 3.31Å; D73-D75 PolarHBondContact O-N 3.18Å; D73-D75 VanDerWaalsContact O-N 3.08Å; D75-R114 VanDerWaalsContact CG-NE 3.31Å; D75-R114 IonicContact OD1-CZ 3.57Å; D75-R114 IonicContact OD1-NE 3.61Å; D75-R114 IonicContact OD1-NH2 3.8Å; D75-R114 PolarHBondContact OD1-NH2 3.24Å; D75-R114 IonicContact OD2-CZ 3.56Å; D75-R114 IonicContact OD2-NE 3.18Å; D75-R114 PolarHBondContact OD2-NE 2.77Å; D75-R114 IonicContact OD2-NH2 2.73Å; D75-R114 PolarHBondContact OD2-NH2 2.5Å; D75-V115 HydrophobicContact CB-CG2 4.39Å |
| 76 | E | 94.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 62 Ų | 62 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | trans | -65.5 | 133.7 | 178.6 | -167.1 | 179.6 | 125.8 | 0 | 0 | 110.5 | L63 V64 D73 | L63-E76 HydrophobicContact CD2-CG 4.35Å; L63-E76 WeakPolarHBondContact CD2-OE1 3.01Å; V64-E76 VanDerWaalsContact O-CA 3.31Å; V64-E76 WeakPolarHBondContact O-CA 3.38Å; D73-E76 HydrophobicContact CB-CB 4.13Å; D73-E76 PolarHBondContact N-OE2 3.04Å; D73-E76 VanDerWaalsContact N-OE2 3.12Å; D73-E76 WeakPolarHBondContact O-CB 3.37Å; D73-E76 PolarHBondContact O-N 3.42Å | ||
| 77 | Q | 96.1 | Very high | 92 | Very high | 45 Ų | 45 | 62 Ų | 62 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.2 | 174.5 | -62.4 | 165.6 | 62.3 | 0 | 0 | 109.1 | L63 V64 F79 A110 | L63-Q77 WeakPolarHBondContact CA-O 3.3Å; V64-Q77 HydrophobicContact CG2-CB 3.73Å; V64-Q77 HydrophobicContact CG2-CG 4.45Å; V64-Q77 PolarHBondContact N-O 2.03Å; V64-Q77 VanDerWaalsContact N-O 3.08Å; V64-Q77 PolarHBondContact O-N 2.95Å; Q77-F79 HydrophobicContact CB-CD2 4.44Å; Q77-F79 HydrophobicContact CB-CE2 3.45Å; Q77-F79 VanDerWaalsContact CB-CE2 3.45Å; Q77-F79 HydrophobicContact CB-CZ 3.8Å; Q77-A110 PolarHBondContact NE2-O 3.14Å |
| 78 | V | 96.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.3 | -176.2 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | T61 L63 R107 | T61-V78 HydrophobicContact CG2-CG1 4.35Å; L63-V78 HydrophobicContact CD1-CG1 4.23Å; L63-V78 HydrophobicContact CD2-CG2 4.46Å; L63-V78 HydrophobicContact CG-CG1 4.39Å; L63-V78 HydrophobicContact CG-CG2 4.16Å; V78-R107 PolarHBondContact O-NH2 3.38Å |
| 79 | F | 97.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 156.2 | -178.8 | -60.1 | -86.2 | 0 | 0 | 0 | 111.6 | T61 V62 V64 Q77 L105 R107 V109 | T61-F79 WeakPolarHBondContact CA-O 3.37Å; V62-F79 HydrophobicContact CB-CB 4.39Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 2.83Å; V64-F79 HydrophobicContact CG2-CD2 4.49Å; V64-F79 HydrophobicContact CG2-CE2 3.77Å; Q77-F79 HydrophobicContact CB-CD2 4.44Å; Q77-F79 HydrophobicContact CB-CE2 3.45Å; Q77-F79 VanDerWaalsContact CB-CE2 3.45Å; Q77-F79 HydrophobicContact CB-CZ 3.8Å; F79-L105 HydrophobicContact CB-CB 4.3Å; F79-L105 HydrophobicContact CB-CD1 4.28Å; F79-L105 HydrophobicContact CB-CD2 3.86Å; F79-L105 HydrophobicContact CB-CG 4.36Å; F79-L105 HydrophobicContact CD1-CB 4.36Å; F79-L105 HydrophobicContact CD1-CD1 4.29Å; F79-L105 HydrophobicContact CD2-CD1 4.13Å; F79-L105 HydrophobicContact CG-CB 4.44Å; F79-L105 HydrophobicContact CG-CD1 3.96Å; F79-L105 HydrophobicContact CG-CD2 4.45Å; F79-R107 HydrophobicContact CD1-CB 4.08Å; F79-R107 HydrophobicContact CE1-CB 4.03Å; F79-V109 HydrophobicContact CD2-CG2 4.48Å; F79-V109 HydrophobicContact CE1-CG2 4.33Å; F79-V109 HydrophobicContact CE2-CG2 3.85Å; F79-V109 HydrophobicContact CZ-CB 4.22Å; F79-V109 HydrophobicContact CZ-CG2 3.78Å |
| 80 | T | 95.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 158.2 | 169.9 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | K82 D106 | T80-K82 PolarHBondContact O-N 3.36Å; T80-D106 PolarHBondContact N-OD1 2.92Å; T80-D106 PolarHBondContact O-N 2.83Å; T80-D106 VanDerWaalsContact O-N 3.13Å; T80-D106 WeakPolarHBondContact OG1-CB 3.07Å; T80-D106 PolarHBondContact OG1-OD1 3.27Å; T80-D106 PolarHBondContact OG1-OD2 3.07Å |
| 81 | V | 94.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.5 | 180 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | L57 V60 V62 L84 V103 | L57-V81 HydrophobicContact CD2-CG1 4.46Å; V60-V81 HydrophobicContact CB-CG2 4.37Å; V60-V81 HydrophobicContact CG1-CG2 3.95Å; V62-V81 HydrophobicContact CG2-CG2 3.99Å; V81-L84 HydrophobicContact CG1-CB 4.43Å; V81-V103 HydrophobicContact CB-CG1 4.2Å; V81-V103 HydrophobicContact CG1-CG1 3.71Å; V81-V103 HydrophobicContact CG2-CG1 3.7Å |
| 82 | K | 90.4 | Very high | 90.1 | Very high | 131 Ų | 131 | 66.4 Ų | 66.4 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -48.7 | 174.4 | 179.1 | 179.5 | 167.2 | -154.8 | 0 | 111.3 | T80 E104 D106 | T80-K82 PolarHBondContact O-N 3.36Å; K82-E104 HydrophobicContact CB-CB 4.49Å; K82-E104 WeakPolarHBondContact CB-O 3.5Å; K82-E104 HydrophobicContact CD-CG 4.35Å; K82-E104 WeakPolarHBondContact CE-OE1 3.36Å; K82-E104 PolarHBondContact N-O 2.75Å; K82-E104 IonicContact NZ-OE1 3.57Å; K82-E104 PolarHBondContact NZ-OE1 2.81Å; K82-E104 IonicContact NZ-OE2 3.77Å; K82-D106 HydrophobicContact CB-CB 4.41Å |
| 83 | S | 89.7 | Confident | 89.2 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.5 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 110.9 | E104 | S83-E104 WeakPolarHBondContact CB-OE2 3.32Å; S83-E104 PolarHBondContact N-O 2.74Å; S83-E104 PolarHBondContact O-N 2.8Å; S83-E104 WeakPolarHBondContact OG-CB 3.23Å; S83-E104 PolarHBondContact OG-OE2 2.81Å |
| 84 | L | 91.6 | Very high | 88 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124.4 | -178.7 | 177.1 | 69.2 | 0 | 0 | 0 | 109.7 | F49 L52 L57 V81 I86 A101 V103 | F49-L84 HydrophobicContact CB-CD2 3.55Å; F49-L84 HydrophobicContact CD1-CD1 4.31Å; F49-L84 HydrophobicContact CD1-CD2 3.49Å; F49-L84 VanDerWaalsContact CD1-CD2 3.49Å; F49-L84 HydrophobicContact CD2-CD1 3.94Å; F49-L84 HydrophobicContact CD2-CD2 4.11Å; F49-L84 HydrophobicContact CE1-CD1 4.36Å; F49-L84 HydrophobicContact CE1-CD2 4.18Å; F49-L84 HydrophobicContact CE2-CD1 4.02Å; F49-L84 HydrophobicContact CG-CD1 4.1Å; F49-L84 HydrophobicContact CG-CD2 3.43Å; F49-L84 VanDerWaalsContact CG-CD2 3.43Å; F49-L84 HydrophobicContact CG-CG 4.44Å; F49-L84 HydrophobicContact CZ-CD1 4.22Å; L52-L84 HydrophobicContact CD2-CD2 3.52Å; L52-L84 HydrophobicContact CD2-CG 4.3Å; L57-L84 HydrophobicContact CD2-CD2 3.9Å; V81-L84 HydrophobicContact CG1-CB 4.43Å; L84-I86 HydrophobicContact CD2-CD1 4.3Å; L84-I86 HydrophobicContact CD2-CG1 4.35Å; L84-I86 HydrophobicContact CG-CG1 4.26Å; L84-A101 HydrophobicContact CD1-CB 4.11Å; L84-V103 HydrophobicContact CD1-CG2 3.83Å |
| 85 | L | 91.8 | Very high | 86.9 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.7 | 179.1 | -54.3 | 177.7 | 0 | 0 | 0 | 109.2 | W41 A101 L102 K267 A271 | W41-L85 HydrophobicContact CH2-CD1 3.74Å; W41-L85 HydrophobicContact CH2-CG 4.48Å; W41-L85 HydrophobicContact CZ3-CD1 3.8Å; W41-L85 HydrophobicContact CZ3-CG 4.33Å; L85-A101 CarbonylContact O-C 3.5Å; L85-A101 WeakPolarHBondContact O-CA 3.45Å; L85-L102 HydrophobicContact CB-CB 4.29Å; L85-L102 PolarHBondContact N-O 2.77Å; L85-L102 PolarHBondContact O-N 2.82Å; L85-K267 HydrophobicContact CD1-CB 3.82Å; L85-K267 HydrophobicContact CD1-CD 4.34Å; L85-K267 HydrophobicContact CD1-CG 4.35Å; L85-A271 HydrophobicContact CD1-CB 4.48Å |
| 86 | I | 91.8 | Very high | 86.2 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 140.9 | 173.4 | -63.3 | -178.8 | 0 | 0 | 0 | 108.8 | A46 F49 L52 L84 E88 Y90 A101 | A46-I86 HydrophobicContact CB-CG2 3.8Å; F49-I86 HydrophobicContact CB-CD1 4.31Å; L52-I86 HydrophobicContact CD2-CD1 3.73Å; L52-I86 HydrophobicContact CD2-CG1 4.43Å; L52-I86 HydrophobicContact CG-CD1 4.43Å; L84-I86 HydrophobicContact CD2-CD1 4.3Å; L84-I86 HydrophobicContact CD2-CG1 4.35Å; L84-I86 HydrophobicContact CG-CG1 4.26Å; I86-E88 PolarHBondContact O-N 2.94Å; I86-Y90 HydrophobicContact CG2-CD1 3.95Å; I86-Y90 HydrophobicContact CG2-CG 4.26Å; I86-A101 HydrophobicContact CG1-CB 4.22Å |
| 87 | H | 91.4 | Very high | 85.6 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | trans | -61.3 | 133.2 | 177.5 | -167.9 | -62 | 0 | 0 | 0 | 111.9 | N89 Y90 Y98 I100 W263 | H87-N89 VanDerWaalsContact C-N 3.28Å; H87-N89 PolarHBondContact ND1-N 2.86Å; H87-N89 VanDerWaalsContact ND1-N 3.14Å; H87-N89 PolarHBondContact O-N 2.93Å; H87-Y90 WeakPolarHBondContact O-CB 3.26Å; H87-Y90 PolarHBondContact O-N 2.87Å; H87-Y98 AromaticContact CD2-CD1 3.87Å; H87-Y98 AromaticContact CE1-CD1 3.21Å; H87-Y98 WeakPolarHBondContact CE1-CD1 3.36Å; H87-Y98 AromaticContact CE1-CE1 3.75Å; H87-Y98 AromaticContact CE1-CG 3.81Å; H87-Y98 AromaticContact ND1-CD1 3.64Å; H87-Y98 AromaticContact ND1-CG 3.79Å; H87-Y98 AromaticContact NE2-CD1 3.32Å; H87-Y98 VanDerWaalsContact NE2-CD1 3.32Å; H87-Y98 WeakPolarHBondContact NE2-CD1 3.48Å; H87-Y98 AromaticContact NE2-CE1 3.87Å; H87-I100 HydrophobicContact CB-CG2 3.54Å; H87-I100 PolarHBondContact N-O 3.35Å; H87-W263 HydrophobicContact CB-CD2 4.4Å; H87-W263 HydrophobicContact CB-CH2 4.26Å; H87-W263 HydrophobicContact CB-CZ2 3.77Å; H87-W263 AromaticContact CD2-CD1 3.4Å; H87-W263 VanDerWaalsContact CD2-CD1 3.4Å; H87-W263 AromaticContact CD2-CD2 3.38Å; H87-W263 AromaticContact CD2-CE2 3.54Å; H87-W263 AromaticContact CD2-CG 3.33Å; H87-W263 AromaticContact CD2-NE1 3.49Å; H87-W263 PolarHBondContact CD2-NE1 2.87Å; H87-W263 AromaticContact CG-CE2 3.84Å; H87-W263 AromaticContact CG-NE1 3.77Å; H87-W263 AromaticContact NE2-CD1 3.5Å; H87-W263 AromaticContact NE2-CG 3.62Å; H87-W263 AromaticContact NE2-NE1 3.97Å | ||
| 88 | E | 88.9 | Confident | 85.3 | Confident | 114 Ų | 114 | 54.7 Ų | 54.7 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.2 | -170.9 | -63.3 | 85.8 | 165.6 | 0 | 0 | 112.8 | I86 Y90 W263 K267 | I86-E88 PolarHBondContact O-N 2.94Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; E88-W263 PolarHBondContact OE2-NE1 2.98Å; E88-K267 WeakPolarHBondContact OE1-CE 3.37Å; E88-K267 IonicContact OE1-NZ 3.75Å; E88-K267 PolarHBondContact OE1-NZ 2.94Å |
| 89 | N | 86.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.3 | 176 | -61.9 | -28.5 | 0 | 0 | 0 | 114.6 | H87 N91 Y98 | H87-N89 VanDerWaalsContact C-N 3.28Å; H87-N89 PolarHBondContact ND1-N 2.86Å; H87-N89 VanDerWaalsContact ND1-N 3.14Å; H87-N89 PolarHBondContact O-N 2.93Å; N89-N91 PolarHBondContact O-N 2.82Å; N89-Y98 HydrophobicContact CB-CD1 4.27Å; N89-Y98 HydrophobicContact CB-CD2 3.56Å; N89-Y98 HydrophobicContact CB-CE1 4.47Å; N89-Y98 HydrophobicContact CB-CE2 3.82Å; N89-Y98 HydrophobicContact CB-CG 3.83Å; N89-Y98 WeakPolarHBondContact O-CD2 3.16Å |
| 90 | Y | 86.4 | Confident | 85 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 14% | 0.137 | 27% | 0.269 | C | S | . | . | trans | -63.8 | 135.5 | 178.2 | 176.1 | -118.2 | 0 | 0 | 0 | 111.2 | A46 H47 I86 H87 E88 H92 M96 N97 Y98 D99 | A46-Y90 HydrophobicContact CB-CD1 3.55Å; A46-Y90 HydrophobicContact CB-CD2 3.77Å; A46-Y90 HydrophobicContact CB-CE1 3.66Å; A46-Y90 HydrophobicContact CB-CE2 3.89Å; A46-Y90 HydrophobicContact CB-CG 3.61Å; H47-Y90 WeakPolarHBondContact CA-OH 3.5Å; H47-Y90 WeakPolarHBondContact CB-OH 3.02Å; I86-Y90 HydrophobicContact CG2-CD1 3.95Å; I86-Y90 HydrophobicContact CG2-CG 4.26Å; H87-Y90 WeakPolarHBondContact O-CB 3.26Å; H87-Y90 PolarHBondContact O-N 2.87Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; Y90-H92 AromaticContact CE1-CD2 3.43Å; Y90-H92 VanDerWaalsContact CE1-CD2 3.43Å; Y90-H92 WeakPolarHBondContact CE1-CD2 3.38Å; Y90-H92 AromaticContact CE1-CG 3.99Å; Y90-H92 AromaticContact CE1-NE2 3.57Å; Y90-H92 AromaticContact CZ-CD2 3.88Å; Y90-H92 AromaticContact CZ-CG 3.98Å; Y90-H92 AromaticContact CZ-NE2 3.98Å; Y90-H92 PolarHBondContact OH-CE1 3.18Å; Y90-H92 PolarHBondContact OH-ND1 3.23Å; Y90-H92 VanDerWaalsContact OH-ND1 3.13Å; Y90-H92 PolarHBondContact OH-NE2 3.27Å; Y90-M96 HydrophobicContact CE2-CB 4.38Å; Y90-N97 WeakPolarHBondContact CD2-O 3.27Å; Y90-Y98 WeakPolarHBondContact CB-O 3.31Å; Y90-Y98 WeakPolarHBondContact CD2-O 3.4Å; Y90-D99 HydrophobicContact CD2-CB 4.13Å; Y90-D99 HydrophobicContact CE2-CB 3.76Å; Y90-D99 WeakPolarHBondContact CE2-OD1 3.44Å | ||
| 91 | N | 77.6 | Confident | 85 | Confident | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 25% | 0.25 | S | C | . | . | trans | -137.5 | 127 | 174.4 | -172.6 | -15.4 | 0 | 0 | 0 | 110 | N89 A93 | N89-N91 PolarHBondContact O-N 2.82Å; N91-A93 PolarHBondContact O-N 2.71Å; N91-A93 WeakPolarHBondContact OD1-CB 3.48Å; N91-A93 PolarHBondContact OD1-N 2.83Å | ||
| 92 | H | 76.2 | Confident | 85 | Confident | 94 Ų | 94 | 47 Ų | 47 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -64.5 | -16.9 | 176.4 | -95.5 | -79.1 | 0 | 0 | 0 | 113.9 | Y90 | Y90-H92 AromaticContact CE1-CD2 3.43Å; Y90-H92 VanDerWaalsContact CE1-CD2 3.43Å; Y90-H92 WeakPolarHBondContact CE1-CD2 3.38Å; Y90-H92 AromaticContact CE1-CG 3.99Å; Y90-H92 AromaticContact CE1-NE2 3.57Å; Y90-H92 AromaticContact CZ-CD2 3.88Å; Y90-H92 AromaticContact CZ-CG 3.98Å; Y90-H92 AromaticContact CZ-NE2 3.98Å; Y90-H92 PolarHBondContact OH-CE1 3.18Å; Y90-H92 PolarHBondContact OH-ND1 3.23Å; Y90-H92 VanDerWaalsContact OH-ND1 3.13Å; Y90-H92 PolarHBondContact OH-NE2 3.27Å |
| 93 | A | 70.4 | Confident | 85.3 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -67.8 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N91 P95 M96 | N91-A93 PolarHBondContact O-N 2.71Å; N91-A93 WeakPolarHBondContact OD1-CB 3.48Å; N91-A93 PolarHBondContact OD1-N 2.83Å; A93-P95 CarbonylContact O-C 3.27Å; A93-M96 PolarHBondContact O-N 2.95Å |
| 94 | C | 62.6 | Low | 85.5 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 43% | 0.432 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -69.4 | 133.6 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 95 | P | 65.3 | Low | 85.5 | Confident | 17 Ų | 17 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | S | Bend | cis | -75.9 | 135.8 | -2.5 | 33 | -37 | 0 | 0 | 0 | 111.1 | A93 N97 I189 W229 | A93-P95 CarbonylContact O-C 3.27Å; P95-N97 PolarHBondContact O-N 2.82Å; P95-I189 HydrophobicContact CB-CD1 4.1Å; P95-W229 HydrophobicContact CB-CZ2 3.82Å |
| 96 | M | 75.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 21% | 0.212 | 21% | 0.208 | C | C | . | . | trans | -66.9 | 94.4 | 176.9 | -62.6 | 178 | -177.1 | 0 | 0 | 109.1 | H47 Y90 A93 D99 | H47-M96 HydrophobicContact CB-SD 4.26Å; Y90-M96 HydrophobicContact CE2-CB 4.38Å; A93-M96 PolarHBondContact O-N 2.95Å; M96-D99 HydrophobicContact CB-CB 4.2Å | ||
| 97 | N | 83.3 | Confident | 85.6 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 151.1 | 173.7 | -78.5 | -30.9 | 0 | 0 | 0 | 109.6 | Y90 P95 D99 | Y90-N97 WeakPolarHBondContact CD2-O 3.27Å; P95-N97 PolarHBondContact O-N 2.82Å; N97-D99 PolarHBondContact O-N 2.83Å |
| 98 | Y | 88.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.1 | -178.2 | -55 | -86.5 | 0 | 0 | 0 | 113 | H87 N89 Y90 I100 T188 L260 | H87-Y98 AromaticContact CD2-CD1 3.87Å; H87-Y98 AromaticContact CE1-CD1 3.21Å; H87-Y98 WeakPolarHBondContact CE1-CD1 3.36Å; H87-Y98 AromaticContact CE1-CE1 3.75Å; H87-Y98 AromaticContact CE1-CG 3.81Å; H87-Y98 AromaticContact ND1-CD1 3.64Å; H87-Y98 AromaticContact ND1-CG 3.79Å; H87-Y98 AromaticContact NE2-CD1 3.32Å; H87-Y98 VanDerWaalsContact NE2-CD1 3.32Å; H87-Y98 WeakPolarHBondContact NE2-CD1 3.48Å; H87-Y98 AromaticContact NE2-CE1 3.87Å; N89-Y98 HydrophobicContact CB-CD1 4.27Å; N89-Y98 HydrophobicContact CB-CD2 3.56Å; N89-Y98 HydrophobicContact CB-CE1 4.47Å; N89-Y98 HydrophobicContact CB-CE2 3.82Å; N89-Y98 HydrophobicContact CB-CG 3.83Å; N89-Y98 WeakPolarHBondContact O-CD2 3.16Å; Y90-Y98 WeakPolarHBondContact CB-O 3.31Å; Y90-Y98 WeakPolarHBondContact CD2-O 3.4Å; Y98-I100 PolarHBondContact O-N 2.97Å; Y98-T188 HydrophobicContact CD1-CG2 3.74Å; Y98-T188 HydrophobicContact CE1-CG2 3.49Å; Y98-T188 VanDerWaalsContact CE1-CG2 3.49Å; Y98-T188 HydrophobicContact CE2-CG2 4.36Å; Y98-T188 HydrophobicContact CG-CG2 4.28Å; Y98-T188 PolarHBondContact N-OG1 3.44Å; Y98-L260 HydrophobicContact CD1-CD2 3.64Å; Y98-L260 HydrophobicContact CE1-CD2 3.9Å |
| 99 | D | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -77 | 74.7 | 179 | -175 | 27.6 | 0 | 0 | 0 | 110.8 | A46 H47 Y90 M96 N97 S228 T255 | A46-D99 WeakPolarHBondContact CA-OD1 3.49Å; A46-D99 WeakPolarHBondContact CB-OD1 3.09Å; A46-D99 PolarHBondContact N-OD1 3.49Å; H47-D99 IonicContact CE1-OD2 2.74Å; H47-D99 IonicContact CG-OD1 2.77Å; H47-D99 IonicContact CG-OD2 3.27Å; H47-D99 PolarHBondContact N-OD1 3.19Å; H47-D99 IonicContact ND1-OD1 3.89Å; H47-D99 PolarHBondContact ND1-OD1 3.36Å; H47-D99 IonicContact ND1-OD2 2.61Å; H47-D99 PolarHBondContact ND1-OD2 2.69Å; Y90-D99 HydrophobicContact CD2-CB 4.13Å; Y90-D99 HydrophobicContact CE2-CB 3.76Å; Y90-D99 WeakPolarHBondContact CE2-OD1 3.44Å; M96-D99 HydrophobicContact CB-CB 4.2Å; N97-D99 PolarHBondContact O-N 2.83Å; D99-S228 VanDerWaalsContact OD2-CB 3.31Å; D99-S228 WeakPolarHBondContact OD2-CB 3.3Å; D99-S228 PolarHBondContact OD2-OG 3.25Å; D99-T255 WeakPolarHBondContact O-CB 3.35Å; D99-T255 PolarHBondContact O-OG1 2.94Å | ||
| 100 | I | 95 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -143.5 | 140.7 | -177.2 | -173.6 | 170.6 | 0 | 0 | 0 | 110.2 | L43 H87 Y98 I226 T255 L260 W263 I264 | L43-I100 HydrophobicContact CD1-CD1 3.74Å; L43-I100 HydrophobicContact CD1-CG1 3.84Å; H87-I100 HydrophobicContact CB-CG2 3.54Å; H87-I100 PolarHBondContact N-O 3.35Å; Y98-I100 PolarHBondContact O-N 2.97Å; I100-I226 HydrophobicContact CB-CD1 4.08Å; I100-I226 HydrophobicContact CD1-CD1 3.76Å; I100-I226 HydrophobicContact CG1-CD1 3.55Å; I100-T255 HydrophobicContact CB-CG2 4.39Å; I100-L260 HydrophobicContact CB-CD1 4.08Å; I100-L260 HydrophobicContact CD1-CB 4.13Å; I100-L260 HydrophobicContact CD1-CD1 4.13Å; I100-L260 HydrophobicContact CG2-CD1 3.69Å; I100-W263 HydrophobicContact CB-CZ3 4.42Å; I100-W263 HydrophobicContact CD1-CE3 4Å; I100-W263 HydrophobicContact CD1-CZ3 3.85Å; I100-W263 HydrophobicContact CG1-CE3 4.38Å; I100-W263 HydrophobicContact CG1-CZ3 3.79Å; I100-W263 HydrophobicContact CG2-CE3 4Å; I100-W263 HydrophobicContact CG2-CH2 4.22Å; I100-W263 HydrophobicContact CG2-CZ3 3.78Å; I100-I264 HydrophobicContact CD1-CD1 3.66Å; I100-I264 HydrophobicContact CD1-CG1 3.58Å | ||
| 101 | A | 95.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T44 L84 L85 I86 | T44-A101 HydrophobicContact CG2-CB 4.19Å; T44-A101 PolarHBondContact N-O 2.81Å; T44-A101 PolarHBondContact O-N 2.85Å; L84-A101 HydrophobicContact CD1-CB 4.11Å; L85-A101 CarbonylContact O-C 3.5Å; L85-A101 WeakPolarHBondContact O-CA 3.45Å; I86-A101 HydrophobicContact CG1-CB 4.22Å |
| 102 | L | 95.7 | Very high | 86 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.6 | 169.4 | -65.2 | 176.8 | 0 | 0 | 0 | 109.5 | L37 W41 I42 L43 L85 W263 I264 K267 M268 | L37-L102 HydrophobicContact CD1-CD2 3.73Å; W41-L102 HydrophobicContact CE3-CB 3.85Å; W41-L102 HydrophobicContact CZ3-CB 3.95Å; I42-L102 WeakPolarHBondContact O-CA 3.2Å; L43-L102 HydrophobicContact CD1-CD2 3.81Å; L85-L102 HydrophobicContact CB-CB 4.29Å; L85-L102 PolarHBondContact N-O 2.77Å; L85-L102 PolarHBondContact O-N 2.82Å; L102-W263 HydrophobicContact CD1-CH2 4.49Å; L102-W263 HydrophobicContact CD1-CZ3 4.19Å; L102-W263 HydrophobicContact CG-CH2 4.2Å; L102-W263 HydrophobicContact CG-CZ3 3.96Å; L102-I264 HydrophobicContact CD1-CG2 4.4Å; L102-I264 HydrophobicContact CD2-CG2 4.35Å; L102-K267 HydrophobicContact CD1-CB 3.76Å; L102-M268 HydrophobicContact CD1-CG 4.02Å |
| 103 | V | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.6 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | W41 I42 T44 F49 V62 V81 L84 | W41-V103 WeakPolarHBondContact CA-O 3.49Å; I42-V103 HydrophobicContact CB-CB 4.19Å; I42-V103 PolarHBondContact N-O 2.87Å; I42-V103 PolarHBondContact O-N 3.35Å; T44-V103 HydrophobicContact CG2-CG2 3.76Å; F49-V103 HydrophobicContact CE2-CG2 4.03Å; F49-V103 HydrophobicContact CZ-CG2 3.9Å; V62-V103 HydrophobicContact CG2-CG1 4.34Å; V81-V103 HydrophobicContact CB-CG1 4.2Å; V81-V103 HydrophobicContact CG1-CG1 3.71Å; V81-V103 HydrophobicContact CG2-CG1 3.7Å; L84-V103 HydrophobicContact CD1-CG2 3.83Å |
| 104 | E | 93.3 | Very high | 87.2 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.1 | 170.4 | -164.4 | -170.3 | 174.9 | 0 | 0 | 109.3 | R40 W41 K82 S83 | R40-E104 WeakPolarHBondContact O-CA 3.36Å; W41-E104 HydrophobicContact CE3-CB 4.12Å; W41-E104 HydrophobicContact CH2-CB 3.66Å; W41-E104 HydrophobicContact CH2-CG 3.92Å; W41-E104 HydrophobicContact CZ2-CB 4.07Å; W41-E104 HydrophobicContact CZ2-CG 3.8Å; W41-E104 HydrophobicContact CZ3-CB 3.69Å; W41-E104 HydrophobicContact CZ3-CG 4.33Å; K82-E104 HydrophobicContact CB-CB 4.49Å; K82-E104 WeakPolarHBondContact CB-O 3.5Å; K82-E104 HydrophobicContact CD-CG 4.35Å; K82-E104 WeakPolarHBondContact CE-OE1 3.36Å; K82-E104 PolarHBondContact N-O 2.75Å; K82-E104 IonicContact NZ-OE1 3.57Å; K82-E104 PolarHBondContact NZ-OE1 2.81Å; K82-E104 IonicContact NZ-OE2 3.77Å; S83-E104 WeakPolarHBondContact CB-OE2 3.32Å; S83-E104 PolarHBondContact N-O 2.74Å; S83-E104 PolarHBondContact O-N 2.8Å; S83-E104 WeakPolarHBondContact OG-CB 3.23Å; S83-E104 PolarHBondContact OG-OE2 2.81Å |
| 105 | L | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 150.8 | 177.2 | -55.6 | -179.8 | 0 | 0 | 0 | 111.3 | R40 I42 V62 F79 R107 V109 | R40-L105 WeakPolarHBondContact O-CG 3.47Å; R40-L105 PolarHBondContact O-N 3.37Å; I42-L105 HydrophobicContact CD1-CD1 4.08Å; I42-L105 HydrophobicContact CG1-CD1 4.08Å; I42-L105 HydrophobicContact CG1-CD2 3.96Å; I42-L105 HydrophobicContact CG1-CG 4.13Å; V62-L105 HydrophobicContact CB-CD2 3.87Å; V62-L105 HydrophobicContact CG1-CD2 3.9Å; V62-L105 HydrophobicContact CG2-CD2 4.04Å; F79-L105 HydrophobicContact CB-CB 4.3Å; F79-L105 HydrophobicContact CB-CD1 4.28Å; F79-L105 HydrophobicContact CB-CD2 3.86Å; F79-L105 HydrophobicContact CB-CG 4.36Å; F79-L105 HydrophobicContact CD1-CB 4.36Å; F79-L105 HydrophobicContact CD1-CD1 4.29Å; F79-L105 HydrophobicContact CD2-CD1 4.13Å; F79-L105 HydrophobicContact CG-CB 4.44Å; F79-L105 HydrophobicContact CG-CD1 3.96Å; F79-L105 HydrophobicContact CG-CD2 4.45Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 WeakPolarHBondContact CB-O 3.24Å; L105-R107 PolarHBondContact O-N 2.96Å; L105-V109 HydrophobicContact CD1-CG2 3.46Å; L105-V109 VanDerWaalsContact CD1-CG2 3.46Å |
| 106 | D | 92.8 | Very high | 89.7 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.6 | -23.7 | 176.2 | 68.7 | -41.8 | 0 | 0 | 0 | 113.8 | T80 K82 | T80-D106 PolarHBondContact N-OD1 2.92Å; T80-D106 PolarHBondContact O-N 2.83Å; T80-D106 VanDerWaalsContact O-N 3.13Å; T80-D106 WeakPolarHBondContact OG1-CB 3.07Å; T80-D106 PolarHBondContact OG1-OD1 3.27Å; T80-D106 PolarHBondContact OG1-OD2 3.07Å; K82-D106 HydrophobicContact CB-CB 4.41Å |
| 107 | R | 92.5 | Very high | 90.3 | Very high | 136 Ų | 136 | 42 Ų | 42 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -138.2 | 163.5 | 179.7 | -61.2 | -175.5 | -59.2 | -91.2 | 5.3 | 111.2 | V78 F79 L105 | V78-R107 PolarHBondContact O-NH2 3.38Å; F79-R107 HydrophobicContact CD1-CB 4.08Å; F79-R107 HydrophobicContact CE1-CB 4.03Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 WeakPolarHBondContact CB-O 3.24Å; L105-R107 PolarHBondContact O-N 2.96Å |
| 108 | H | 88.3 | Confident | 90.5 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | trans | -75.7 | 137.5 | 175.8 | -70.1 | -109.1 | 0 | 0 | 0 | 111.5 | D39 R40 | D39-H108 VanDerWaalsContact CG-ND1 3.31Å; D39-H108 CarbonylContact O-C 3.57Å; D39-H108 WeakPolarHBondContact O-CA 3.3Å; D39-H108 IonicContact OD1-ND1 2.66Å; D39-H108 IonicContact OD2-CE1 2.79Å; D39-H108 IonicContact OD2-CG 3.43Å; D39-H108 IonicContact OD2-ND1 3.59Å; D39-H108 PolarHBondContact OD2-ND1 3.3Å; R40-H108 VanDerWaalsContact CD-CE1 3.46Å; R40-H108 WeakPolarHBondContact CD-CE1 3.41Å; R40-H108 WeakPolarHBondContact CD-NE2 3.43Å; R40-H108 PolarHBondContact NE-CE1 3.01Å; R40-H108 PolarHBondContact NH1-CE1 3.17Å; R40-H108 PolarHBondContact NH1-NE2 2.87Å | ||
| 109 | V | 89.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | trans | -75 | 127.4 | 175 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | D39 V64 F79 L105 M111 V115 | D39-V109 WeakPolarHBondContact O-CG2 2.98Å; D39-V109 PolarHBondContact O-N 2.86Å; V64-V109 HydrophobicContact CG2-CG1 3.97Å; F79-V109 HydrophobicContact CD2-CG2 4.48Å; F79-V109 HydrophobicContact CE1-CG2 4.33Å; F79-V109 HydrophobicContact CE2-CG2 3.85Å; F79-V109 HydrophobicContact CZ-CB 4.22Å; F79-V109 HydrophobicContact CZ-CG2 3.78Å; L105-V109 HydrophobicContact CD1-CG2 3.46Å; L105-V109 VanDerWaalsContact CD1-CG2 3.46Å; V109-M111 HydrophobicContact CB-CE 4.15Å; V109-M111 HydrophobicContact CG1-CE 4.24Å; V109-M111 HydrophobicContact CG1-SD 4.22Å; V109-M111 PolarHBondContact O-N 2.84Å; V109-V115 HydrophobicContact CG1-CG1 3.43Å; V109-V115 VanDerWaalsContact CG1-CG1 3.43Å | ||
| 110 | A | 90.8 | Very high | 89.8 | Confident | 63 Ų | 63 | 40 Ų | 40 | 52% | 0.521 | 21% | 0.21 | S | C | . | . | trans | -75.3 | 107.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q77 | Q77-A110 PolarHBondContact NE2-O 3.14Š| ||
| 111 | M | 87.8 | Confident | 89 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 39% | 0.394 | 21% | 0.211 | S | C | . | . | trans | -72.7 | 146.2 | 179.2 | -61.1 | -61.1 | 174.5 | 0 | 0 | 111.4 | I36 D39 V109 V115 | I36-M111 HydrophobicContact CG2-CE 4.03Å; D39-M111 HydrophobicContact CB-CE 3.76Å; V109-M111 HydrophobicContact CB-CE 4.15Å; V109-M111 HydrophobicContact CG1-CE 4.24Å; V109-M111 HydrophobicContact CG1-SD 4.22Å; V109-M111 PolarHBondContact O-N 2.84Å; M111-V115 HydrophobicContact SD-CG1 4.45Å | ||
| 112 | G | 83.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | trans | -157.5 | -161.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R114 V115 R116 | G112-R114 VanDerWaalsContact C-N 3.29Å; G112-R114 PolarHBondContact O-N 2.94Å; G112-V115 PolarHBondContact N-O 2.04Å; G112-R116 WeakPolarHBondContact O-CG 3.29Å; G112-R116 PolarHBondContact O-NE 2.94Å | ||
| 113 | A | 83.4 | Confident | 86 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 49% | 0.488 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -66.9 | -33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R116 | A113-R116 PolarHBondContact O-NE 2.9Š|
| 114 | R | 88.5 | Confident | 84.4 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -115.2 | 1.6 | -172.7 | -65.8 | -178.9 | -73.6 | -77.9 | -4.8 | 114.2 | P19 D75 G112 | P19-R114 VanDerWaalsContact CA-O 3.23Å; P19-R114 WeakPolarHBondContact CA-O 3.38Å; P19-R114 VanDerWaalsContact CB-C 3.44Å; P19-R114 WeakPolarHBondContact CB-O 3.48Å; D75-R114 VanDerWaalsContact CG-NE 3.31Å; D75-R114 IonicContact OD1-CZ 3.57Å; D75-R114 IonicContact OD1-NE 3.61Å; D75-R114 IonicContact OD1-NH2 3.8Å; D75-R114 PolarHBondContact OD1-NH2 3.24Å; D75-R114 IonicContact OD2-CZ 3.56Å; D75-R114 IonicContact OD2-NE 3.18Å; D75-R114 PolarHBondContact OD2-NE 2.77Å; D75-R114 IonicContact OD2-NH2 2.73Å; D75-R114 PolarHBondContact OD2-NH2 2.5Å; G112-R114 VanDerWaalsContact C-N 3.29Å; G112-R114 PolarHBondContact O-N 2.94Å |
| 115 | V | 92 | Very high | 83.2 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -131.2 | 106.6 | 174.5 | -178 | 0 | 0 | 0 | 0 | 107.4 | P19 I36 V64 D75 V109 M111 G112 | P19-V115 CarbonylContact O-C 3.57Å; P19-V115 WeakPolarHBondContact O-CA 3.23Å; I36-V115 HydrophobicContact CD1-CG1 3.8Å; V64-V115 HydrophobicContact CB-CG1 4.14Å; V64-V115 HydrophobicContact CG2-CG1 3.84Å; V64-V115 HydrophobicContact CG2-CG2 4.43Å; D75-V115 HydrophobicContact CB-CG2 4.39Å; V109-V115 HydrophobicContact CG1-CG1 3.43Å; V109-V115 VanDerWaalsContact CG1-CG1 3.43Å; M111-V115 HydrophobicContact SD-CG1 4.45Å; G112-V115 PolarHBondContact N-O 2.04Å | ||
| 116 | R | 87 | Confident | 81.9 | Confident | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 31% | 0.305 | S | S | . | . | trans | -149 | 148.4 | -173.9 | -63.5 | -177.4 | 177.3 | 177.4 | -4 | 110.8 | P19 W20 G112 A113 | P19-R116 CarbonylContact C-O 3.48Å; P19-R116 HydrophobicContact CB-CB 4.03Å; P19-R116 HydrophobicContact CB-CG 4.2Å; P19-R116 HydrophobicContact CG-CB 4.15Å; P19-R116 HydrophobicContact CG-CG 4.48Å; P19-R116 PolarHBondContact O-N 3Å; W20-R116 WeakPolarHBondContact CA-O 3.31Å; W20-R116 VanDerWaalsContact CB-O 3.25Å; W20-R116 WeakPolarHBondContact CB-O 3.3Å; W20-R116 PolarHBondContact N-O 3.31Å; G112-R116 WeakPolarHBondContact O-CG 3.29Å; G112-R116 PolarHBondContact O-NE 2.94Å; A113-R116 PolarHBondContact O-NE 2.9Å | ||
| 117 | P | 87.8 | Confident | 80.6 | Confident | 29 Ų | 29 | 59 Ų | 59 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 154.8 | 174.4 | 30.2 | -34.9 | 0 | 0 | 0 | 112.7 | I36 L37 | I36-P117 HydrophobicContact CG2-CB 4.12Å; I36-P117 CarbonylContact O-C 3.55Å; I36-P117 WeakPolarHBondContact O-CA 3.47Å; L37-P117 WeakPolarHBondContact O-CB 3.4Å |
| 118 | I | 87.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 147.2 | 169 | -168.8 | 62.2 | 0 | 0 | 0 | 110.7 | W20 A35 I36 L37 V211 W221 V223 | W20-I118 HydrophobicContact CB-CB 3.72Å; W20-I118 HydrophobicContact CB-CG2 4.49Å; W20-I118 HydrophobicContact CD2-CB 4.25Å; W20-I118 HydrophobicContact CD2-CD1 3.57Å; W20-I118 HydrophobicContact CD2-CG1 4.36Å; W20-I118 HydrophobicContact CE3-CD1 3.74Å; W20-I118 HydrophobicContact CG-CB 3.81Å; W20-I118 HydrophobicContact CG-CD1 4Å; W20-I118 HydrophobicContact CG-CG1 4.27Å; W20-I118 HydrophobicContact CH2-CD1 4.39Å; W20-I118 HydrophobicContact CZ2-CD1 4.25Å; W20-I118 HydrophobicContact CZ3-CD1 4.14Å; A35-I118 HydrophobicContact CB-CG2 3.78Å; I36-I118 WeakPolarHBondContact O-CG2 3.16Å; I36-I118 PolarHBondContact O-N 2.72Å; L37-I118 HydrophobicContact CD2-CG2 4.17Å; I118-V211 HydrophobicContact CD1-CB 4.37Å; I118-V211 HydrophobicContact CD1-CG1 3.75Å; I118-V211 HydrophobicContact CG1-CG1 3.97Å; I118-W221 HydrophobicContact CD1-CB 3.64Å; I118-W221 WeakPolarHBondContact CD1-O 3.35Å; I118-V223 HydrophobicContact CG1-CB 3.89Å; I118-V223 HydrophobicContact CG1-CG1 4.3Å; I118-V223 HydrophobicContact CG2-CB 4.07Å; I118-V223 HydrophobicContact CG2-CG1 3.83Å |
| 119 | C | 82.2 | Confident | 77.4 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 142.6 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | W221 I222 V223 I384 | C119-W221 VanDerWaalsContact CB-O 3.22Å; C119-W221 WeakPolarHBondContact CB-O 3.35Å; C119-W221 PolarHBondContact N-O 2.88Å; C119-W221 PolarHBondContact SG-O 2.88Å; C119-W221 VanDerWaalsContact SG-O 3.4Å; C119-I222 HydrophobicContact CB-CB 4.38Å; C119-I222 HydrophobicContact CB-CG2 3.61Å; C119-I222 CarbonylContact O-C 3.44Å; C119-I222 VanDerWaalsContact O-CA 3.28Å; C119-I222 WeakPolarHBondContact O-CA 3.11Å; C119-V223 PolarHBondContact O-N 2.8Å; C119-I384 HydrophobicContact CB-CG2 4.36Å; C119-I384 VanDerWaalsContact SG-CD1 3.51Å; C119-I384 WeakPolarHBondContact SG-CG1 3.43Å; C119-I384 WeakPolarHBondContact SG-CG2 3.37Å |
| 120 | L | 83.6 | Confident | 76.1 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 147 | 163.8 | -68.9 | 175.6 | 0 | 0 | 0 | 110.5 | L37 V223 V257 L261 I264 | L37-L120 HydrophobicContact CD2-CD2 3.83Å; L37-L120 HydrophobicContact CD2-CG 4.15Å; L120-V223 HydrophobicContact CD2-CG1 3.82Å; L120-V257 HydrophobicContact CD2-CG1 3.77Å; L120-L261 HydrophobicContact CB-CD2 3.88Å; L120-L261 HydrophobicContact CD1-CD2 4.21Å; L120-L261 HydrophobicContact CD2-CD2 4.27Å; L120-L261 HydrophobicContact CG-CD2 4.36Å; L120-I264 HydrophobicContact CD1-CG2 4.07Å; L120-I264 HydrophobicContact CD2-CD1 4.37Å |
| 121 | P | 78.4 | Confident | 75.1 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68 | 151.4 | 176.5 | 24.9 | -31.4 | 0 | 0 | 0 | 111.3 | I222 V223 L224 V257 K258 L261 | P121-I222 HydrophobicContact CB-CD1 4.44Å; P121-V223 WeakPolarHBondContact CD-O 3.27Å; P121-L224 HydrophobicContact CB-CD2 3.94Å; P121-L224 HydrophobicContact CG-CD2 4.19Å; P121-V257 HydrophobicContact CG-CG1 4.28Å; P121-K258 HydrophobicContact CG-CB 4.3Å; P121-L261 HydrophobicContact CG-CD1 4.26Å; P121-L261 HydrophobicContact CG-CD2 4.3Å; P121-L261 WeakPolarHBondContact O-CD1 3.42Å |
| 122 | L | 67.6 | Low | 74.4 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 148.4 | 170.2 | -65.6 | 172.2 | 0 | 0 | 0 | 110.8 | D124 F125 Q342 S381 | L122-D124 PolarHBondContact O-N 2.77Å; L122-D124 VanDerWaalsContact O-N 3.13Å; L122-F125 HydrophobicContact CB-CB 4.18Å; L122-F125 WeakPolarHBondContact O-CB 2.99Å; L122-F125 PolarHBondContact O-N 2.62Å; L122-Q342 WeakPolarHBondContact CD1-O 3.28Å; L122-S381 WeakPolarHBondContact CD2-OG 3.31Å |
| 123 | P | 61.1 | Low | 74.6 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34 | -178.5 | -28 | 35.4 | 0 | 0 | 0 | 114.6 | K258 | P123-K258 WeakPolarHBondContact O-CE 3.31Å; P123-K258 PolarHBondContact O-NZ 3.08Å |
| 124 | D | 62.2 | Low | 75 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.1 | -179.2 | -50.5 | -51.9 | 0 | 0 | 0 | 113.2 | L122 K126 R345 | L122-D124 PolarHBondContact O-N 2.77Å; L122-D124 VanDerWaalsContact O-N 3.13Å; D124-K126 PolarHBondContact O-N 2.84Å; D124-K126 VanDerWaalsContact O-N 3.08Å; D124-R345 IonicContact OD2-NH2 2.96Å |
| 125 | F | 67 | Low | 75.2 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | trans | -58.2 | 118.1 | -178.6 | -171.9 | -98.7 | 0 | 0 | 0 | 109.8 | L122 I127 A214 I222 K258 | L122-F125 HydrophobicContact CB-CB 4.18Å; L122-F125 WeakPolarHBondContact O-CB 2.99Å; L122-F125 PolarHBondContact O-N 2.62Å; F125-I127 HydrophobicContact CD1-CG1 4.04Å; F125-I127 HydrophobicContact CE1-CG1 4.16Å; F125-A214 VanDerWaalsContact CE2-O 3.28Å; F125-A214 WeakPolarHBondContact CE2-O 3.39Å; F125-A214 VanDerWaalsContact CZ-O 3.31Å; F125-A214 WeakPolarHBondContact CZ-O 3.5Å; F125-I222 HydrophobicContact CD1-CD1 3.8Å; F125-I222 HydrophobicContact CE1-CD1 3.36Å; F125-I222 HydrophobicContact CE2-CD1 4.41Å; F125-I222 HydrophobicContact CG-CD1 4.49Å; F125-I222 HydrophobicContact CZ-CD1 3.72Å; F125-K258 PolarHBondContact O-NZ 2.98Å | ||
| 126 | K | 66.2 | Low | 75.1 | Confident | 181 Ų | 181 | 55.9 Ų | 55.9 | 79% | 0.787 | 30% | 0.296 | S | S | * | . | trans | -90.2 | 129.8 | 175.5 | -68.7 | -177.4 | -176.2 | 169.9 | 0 | 107.9 | D124 P128 | D124-K126 PolarHBondContact O-N 2.84Å; D124-K126 VanDerWaalsContact O-N 3.08Å; K126-P128 WeakPolarHBondContact O-CD 2.99Å | ||
| 127 | I | 64.3 | Low | 75.3 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | trans | -93.7 | 115.2 | 179.9 | -53.8 | 156.4 | 0 | 0 | 0 | 108 | F125 L158 L224 | F125-I127 HydrophobicContact CD1-CG1 4.04Å; F125-I127 HydrophobicContact CE1-CG1 4.16Å; I127-L158 HydrophobicContact CB-CD1 4.42Å; I127-L158 HydrophobicContact CG2-CD1 3.23Å; I127-L224 HydrophobicContact CD1-CD1 3.69Å; I127-L224 HydrophobicContact CD1-CD2 4.22Å; I127-L224 HydrophobicContact CG1-CD1 3.83Å; I127-L224 HydrophobicContact CG1-CD2 4.38Å; I127-L224 HydrophobicContact CG2-CD1 3.96Å | ||
| 128 | P | 62 | Low | 75.3 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | trans | -59.3 | 135.9 | 174 | -22.4 | 31.9 | 0 | 0 | 0 | 110.5 | K126 S130 T131 | K126-P128 WeakPolarHBondContact O-CD 2.99Å; P128-S130 PolarHBondContact O-N 3.4Å; P128-T131 VanDerWaalsContact CD-OG1 3.29Å; P128-T131 WeakPolarHBondContact CD-OG1 3.35Å; P128-T131 WeakPolarHBondContact O-CB 3.22Å; P128-T131 PolarHBondContact O-N 2.73Å; P128-T131 PolarHBondContact O-OG1 2.84Å | ||
| 129 | P | 53 | Low | 74.9 | Confident | 126 Ų | 126 | 48.3 Ų | 48.3 | 82% | 0.818 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21 | -178.7 | -26.5 | 34.4 | 0 | 0 | 0 | 114.9 | ||
| 130 | S | 61.7 | Low | 74.5 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 73% | 0.734 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7 | 179.5 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | P128 K132 | P128-S130 PolarHBondContact O-N 3.4Å; S130-K132 PolarHBondContact O-N 2.93Å |
| 131 | T | 68.9 | Low | 73.5 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | trans | -63.8 | 121.1 | -177.6 | -51.6 | 0 | 0 | 0 | 0 | 110.1 | P128 C133 C212 | P128-T131 VanDerWaalsContact CD-OG1 3.29Å; P128-T131 WeakPolarHBondContact CD-OG1 3.35Å; P128-T131 WeakPolarHBondContact O-CB 3.22Å; P128-T131 PolarHBondContact O-N 2.73Å; P128-T131 PolarHBondContact O-OG1 2.84Å; T131-C133 PolarHBondContact O-N 3Å; T131-C212 HydrophobicContact CG2-CB 3.81Å | ||
| 132 | K | 73.4 | Confident | 72.6 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 106.8 | 174.2 | -67.1 | -178.6 | -176.6 | 174 | 0 | 108.3 | S130 | S130-K132 PolarHBondContact O-N 2.93Å |
| 133 | C | 88.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 160.8 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | T131 H155 L156 L210 V211 C212 | T131-C133 PolarHBondContact O-N 3Å; C133-H155 CarbonylContact O-C 3.58Å; C133-H155 VanDerWaalsContact O-CA 3.29Å; C133-H155 WeakPolarHBondContact O-CA 3.27Å; C133-L156 PolarHBondContact N-O 2.9Å; C133-L156 PolarHBondContact O-N 3.26Å; C133-L210 HydrophobicContact CB-CD1 3.7Å; C133-L210 HydrophobicContact CB-CG 4.16Å; C133-V211 CarbonylContact C-O 3.6Å; C133-V211 WeakPolarHBondContact CA-O 3.27Å; C133-V211 WeakPolarHBondContact CB-O 3.02Å; C133-C212 HydrophobicContact CB-CB 4.09Å; C133-C212 WeakPolarHBondContact CB-SG 3.49Å; C133-C212 WeakPolarHBondContact SG-CB 3.03Å; C133-C212 CovalentContact SG-SG 2.03Å; C133-C212 PolarHBondContact SG-SG 2.8Å |
| 134 | V | 91.8 | Very high | 72.9 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.9 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | E153 V154 H155 V211 W221 | V134-E153 HydrophobicContact CG1-CB 4.05Å; V134-V154 WeakPolarHBondContact CA-O 3.46Å; V134-H155 WeakPolarHBondContact CG2-ND1 3.46Å; V134-V211 HydrophobicContact CB-CG2 4.14Å; V134-V211 PolarHBondContact N-O 3.48Å; V134-V211 WeakPolarHBondContact O-CG2 3.27Å; V134-V211 PolarHBondContact O-N 2.84Å; V134-W221 HydrophobicContact CB-CZ3 4.29Å; V134-W221 HydrophobicContact CG2-CH2 3.93Å; V134-W221 HydrophobicContact CG2-CZ3 3.9Å |
| 135 | V | 91.7 | Very high | 73.1 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134 | 162.4 | -179.5 | 0 | 0 | 0 | 0 | 107 | E153 V154 L156 A201 L210 F254 | V135-E153 CarbonylContact O-C 3.59Å; V135-E153 VanDerWaalsContact O-CA 3.31Å; V135-E153 WeakPolarHBondContact O-CA 3.35Å; V135-V154 HydrophobicContact CB-CG1 4.23Å; V135-V154 PolarHBondContact N-O 2.85Å; V135-V154 PolarHBondContact O-N 2.87Å; V135-L156 HydrophobicContact CB-CD1 4.49Å; V135-L156 HydrophobicContact CG2-CD1 3.66Å; V135-L156 HydrophobicContact CG2-CG 4.47Å; V135-A201 HydrophobicContact CG1-CB 4.05Å; V135-L210 HydrophobicContact CG2-CB 4.21Å; V135-L210 HydrophobicContact CG2-CD1 3.37Å; V135-L210 HydrophobicContact CG2-CG 4.4Å; V135-F254 HydrophobicContact CG2-CE1 3.76Å; V135-F254 HydrophobicContact CG2-CZ 3.85Å |
| 136 | A | 91.2 | Very high | 73.3 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | H18 L21 L151 R152 E153 | H18-A136 HydrophobicContact CB-CB 4.41Å; L21-A136 HydrophobicContact CD2-CB 4.16Å; A136-L151 HydrophobicContact CB-CD1 4.42Å; A136-R152 CarbonylContact C-O 3.54Å; A136-R152 WeakPolarHBondContact CA-O 3.11Å; A136-R152 WeakPolarHBondContact CB-O 3.08Å; A136-E153 HydrophobicContact CB-CB 4.21Å |
| 137 | G | 90.2 | Very high | 73.7 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R152 D205 | G137-R152 PolarHBondContact N-O 3.29Å; G137-R152 PolarHBondContact O-N 2.91Å; G137-D205 VanDerWaalsContact CA-OD1 3.31Å; G137-D205 WeakPolarHBondContact CA-OD1 3.41Å |
| 138 | W | 88.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -103.5 | 23.8 | 176.3 | -57.9 | -94.6 | 0 | 0 | 0 | 111 | L21 H30 E66 F67 L69 I147 P148 A149 L151 | L21-W138 HydrophobicContact CD2-CE3 4.43Å; L21-W138 HydrophobicContact CD2-CH2 3.73Å; L21-W138 HydrophobicContact CD2-CZ2 4.48Å; L21-W138 HydrophobicContact CD2-CZ3 3.69Å; L21-W138 HydrophobicContact CG-CH2 4.08Å; L21-W138 HydrophobicContact CG-CZ3 3.92Å; H30-W138 AromaticContact CE1-CE3 3.65Å; E66-W138 HydrophobicContact CB-CH2 4.3Å; E66-W138 HydrophobicContact CB-CZ2 4.27Å; E66-W138 HydrophobicContact CG-CH2 3.97Å; E66-W138 HydrophobicContact CG-CZ2 3.64Å; E66-W138 WeakPolarHBondContact O-CZ2 3.41Å; F67-W138 PolarHBondContact O-NE1 2.94Å; F67-W138 VanDerWaalsContact O-NE1 3.16Å; L69-W138 HydrophobicContact CD1-CB 3.78Å; L69-W138 HydrophobicContact CD1-CD2 4.37Å; L69-W138 HydrophobicContact CD1-CG 3.64Å; L69-W138 HydrophobicContact CD2-CD2 4.49Å; L69-W138 HydrophobicContact CG-CD2 4.46Å; L69-W138 HydrophobicContact CG-CG 4.09Å; W138-I147 HydrophobicContact CB-CG2 4.19Å; W138-I147 WeakPolarHBondContact O-CG2 3.25Å; W138-P148 WeakPolarHBondContact O-CD 3.42Å; W138-A149 VanDerWaalsContact CD1-O 3.27Å; W138-A149 PolarHBondContact NE1-O 2.74Å; W138-L151 HydrophobicContact CD2-CD1 4Å; W138-L151 HydrophobicContact CE3-CD1 4.29Å; W138-L151 HydrophobicContact CH2-CD1 4.15Å; W138-L151 HydrophobicContact CZ2-CB 4.13Å; W138-L151 HydrophobicContact CZ2-CD1 3.83Å; W138-L151 HydrophobicContact CZ2-CD2 4.5Å; W138-L151 HydrophobicContact CZ2-CG 4.36Å; W138-L151 HydrophobicContact CZ3-CD1 4.36Å |
| 139 | G | 79.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -66.6 | 161.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | T141 P148 Q203 D205 | G139-T141 PolarHBondContact O-N 3Å; G139-P148 WeakPolarHBondContact O-CD 3.41Å; G139-P148 WeakPolarHBondContact O-CG 3.27Å; G139-Q203 CarbonylContact C-O 3.1Å; G139-Q203 WeakPolarHBondContact CA-O 3.37Å; G139-D205 WeakPolarHBondContact CA-OD1 3.18Å; G139-D205 PolarHBondContact N-OD1 2.94Å | ||
| 140 | K | 72.8 | Confident | 77.3 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | trans | -54.4 | 134.1 | -179.2 | -70.1 | -177.3 | -178.9 | 172 | 0 | 110.9 | W142 G145 I147 C202 Q203 | K140-W142 WeakPolarHBondContact CB-O 3.36Å; K140-W142 PolarHBondContact O-N 3.12Å; K140-G145 WeakPolarHBondContact CD-O 3.45Å; K140-G145 VanDerWaalsContact CE-O 3.26Å; K140-G145 WeakPolarHBondContact CE-O 3.15Å; K140-G145 WeakPolarHBondContact CG-O 3.31Å; K140-I147 HydrophobicContact CG-CG1 4.35Å; K140-C202 VanDerWaalsContact O-CB 3.26Å; K140-C202 WeakPolarHBondContact O-CB 3.02Å; K140-Q203 HydrophobicContact CD-CB 4.06Å; K140-Q203 HydrophobicContact CG-CB 4.36Å; K140-Q203 PolarHBondContact N-O 3.22Å | ||
| 141 | T | 61.9 | Low | 78.7 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.9 | -8.7 | -174.9 | 65.3 | 0 | 0 | 0 | 0 | 114.6 | R6 V7 V8 G139 P148 | R6-T141 HydrophobicContact CB-CG2 3.59Å; R6-T141 HydrophobicContact CG-CG2 3.94Å; V7-T141 CarbonylContact C-O 3.46Å; V7-T141 VanDerWaalsContact N-CG2 3.26Å; V8-T141 PolarHBondContact N-O 3.05Å; G139-T141 PolarHBondContact O-N 3Å; T141-P148 HydrophobicContact CG2-CB 4.02Å; T141-P148 HydrophobicContact CG2-CG 3.77Å |
| 142 | W | 61.1 | Low | 79.7 | Confident | 170 Ų | 170 | 51 Ų | 51 | 64% | 0.644 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -165.5 | 163 | 174.5 | 67 | -10.6 | 0 | 0 | 0 | 108.3 | K140 R144 G145 | K140-W142 WeakPolarHBondContact CB-O 3.36Å; K140-W142 PolarHBondContact O-N 3.12Å; W142-R144 PolarHBondContact O-N 1.99Å; W142-G145 VanDerWaalsContact NE1-N 3.14Å; W142-G145 PolarHBondContact O-N 2.87Å |
| 143 | E | 63.9 | Low | 80.5 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.4 | -166.3 | -163.2 | 177.7 | 164.4 | 0 | 0 | 115.3 | R235 | E143-R235 IonicContact OE1-CZ 2.69Å; E143-R235 IonicContact OE1-NE 2.84Å; E143-R235 IonicContact OE1-NH2 3.52Å; E143-R235 PolarHBondContact OE1-NH2 2.85Å; E143-R235 IonicContact OE2-CZ 3.34Å; E143-R235 VanDerWaalsContact OE2-CZ 3.27Å; E143-R235 IonicContact OE2-NE 3.62Å; E143-R235 PolarHBondContact OE2-NE 2.87Å; E143-R235 IonicContact OE2-NH2 2.66Å; E143-R235 PolarHBondContact OE2-NH2 2.89Å |
| 144 | R | 69.4 | Low | 80.5 | Confident | 233 Ų | 233 | 45.3 Ų | 45.3 | 88% | 0.879 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 25 | 179.4 | -63.2 | -174.4 | 179.2 | -174.7 | -2.6 | 113.6 | W142 | W142-R144 PolarHBondContact O-N 1.99Š|
| 145 | G | 66.6 | Low | 80.3 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | trans | -95.1 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K140 W142 | K140-G145 WeakPolarHBondContact CD-O 3.45Å; K140-G145 VanDerWaalsContact CE-O 3.26Å; K140-G145 WeakPolarHBondContact CE-O 3.15Å; K140-G145 WeakPolarHBondContact CG-O 3.31Å; W142-G145 VanDerWaalsContact NE1-N 3.14Å; W142-G145 PolarHBondContact O-N 2.87Å | ||
| 146 | H | 72.4 | Confident | 80 | Confident | 170 Ų | 170 | 49.6 Ų | 49.6 | 79% | 0.787 | 23% | 0.226 | S | C | * | . | P | Polyproline II helix | trans | -87.8 | 154.5 | 168.2 | -56.8 | 91.8 | 0 | 0 | 0 | 109.8 | ||
| 147 | I | 73.2 | Confident | 79.8 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -67 | 125.7 | 171.9 | -68.4 | 169.7 | 0 | 0 | 0 | 107.6 | L69 W138 K140 | L69-I147 HydrophobicContact CD1-CG2 4.35Å; W138-I147 HydrophobicContact CB-CG2 4.19Å; W138-I147 WeakPolarHBondContact O-CG2 3.25Å; K140-I147 HydrophobicContact CG-CG1 4.35Å |
| 148 | P | 82 | Confident | 79.6 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 137.8 | 172.6 | 30.1 | -33.8 | 0 | 0 | 0 | 110.1 | W138 G139 T141 R152 | W138-P148 WeakPolarHBondContact O-CD 3.42Å; G139-P148 WeakPolarHBondContact O-CD 3.41Å; G139-P148 WeakPolarHBondContact O-CG 3.27Å; T141-P148 HydrophobicContact CG2-CB 4.02Å; T141-P148 HydrophobicContact CG2-CG 3.77Å; P148-R152 HydrophobicContact CB-CG 4.17Å; P148-R152 HydrophobicContact CG-CG 3.83Å |
| 149 | A | 84.4 | Confident | 79.4 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 21% | 0.207 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -68.8 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D68 L69 R70 W138 | D68-A149 WeakPolarHBondContact CA-O 3.31Å; L69-A149 PolarHBondContact N-O 2.83Å; R70-A149 VanDerWaalsContact CD-CB 3.44Å; R70-A149 HydrophobicContact CG-CB 3.64Å; W138-A149 VanDerWaalsContact CD1-O 3.27Å; W138-A149 PolarHBondContact NE1-O 2.74Å |
| 150 | V | 89.7 | Confident | 79.4 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 134.5 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | Q12 F67 D68 R152 | Q12-V150 HydrophobicContact CG-CG1 3.86Å; F67-V150 HydrophobicContact CD1-CG1 4.14Å; F67-V150 HydrophobicContact CE1-CG1 3.5Å; F67-V150 HydrophobicContact CE2-CG1 4.39Å; F67-V150 HydrophobicContact CZ-CG1 3.65Å; D68-V150 HydrophobicContact CB-CG2 4.29Å; V150-R152 WeakPolarHBondContact O-CG 3.38Å; V150-R152 PolarHBondContact O-NE 3.19Å |
| 151 | L | 91.1 | Very high | 79.6 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -50.2 | 139.4 | -179.4 | -178 | 62.2 | 0 | 0 | 0 | 113.1 | A13 H18 L21 F67 A136 W138 | A13-L151 HydrophobicContact CB-CB 4.27Å; A13-L151 HydrophobicContact CB-CD2 3.94Å; A13-L151 HydrophobicContact CB-CG 3.78Å; A13-L151 PolarHBondContact N-O 2.84Å; H18-L151 HydrophobicContact CB-CD2 4.41Å; L21-L151 HydrophobicContact CD2-CD1 3.25Å; L21-L151 HydrophobicContact CD2-CD2 3.87Å; L21-L151 HydrophobicContact CD2-CG 4.21Å; F67-L151 HydrophobicContact CD2-CB 3.76Å; F67-L151 HydrophobicContact CD2-CD2 4.13Å; F67-L151 HydrophobicContact CE2-CB 4.03Å; F67-L151 HydrophobicContact CG-CB 4.46Å; F67-L151 PolarHBondContact O-N 3.5Å; A136-L151 HydrophobicContact CB-CD1 4.42Å; W138-L151 HydrophobicContact CD2-CD1 4Å; W138-L151 HydrophobicContact CE3-CD1 4.29Å; W138-L151 HydrophobicContact CH2-CD1 4.15Å; W138-L151 HydrophobicContact CZ2-CB 4.13Å; W138-L151 HydrophobicContact CZ2-CD1 3.83Å; W138-L151 HydrophobicContact CZ2-CD2 4.5Å; W138-L151 HydrophobicContact CZ2-CG 4.36Å; W138-L151 HydrophobicContact CZ3-CD1 4.36Å | ||
| 152 | R | 89.9 | Confident | 80.2 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157.5 | -179 | -57.2 | -61.6 | -179.5 | 139.3 | -15.9 | 111.2 | R6 V7 T11 A136 G137 P148 V150 | R6-R152 PolarHBondContact O-NH1 2.78Å; V7-R152 HydrophobicContact CB-CB 4.03Å; V7-R152 HydrophobicContact CG2-CB 3.12Å; V7-R152 HydrophobicContact CG2-CG 3.75Å; T11-R152 WeakPolarHBondContact O-CA 3.28Å; A136-R152 CarbonylContact C-O 3.54Å; A136-R152 WeakPolarHBondContact CA-O 3.11Å; A136-R152 WeakPolarHBondContact CB-O 3.08Å; G137-R152 PolarHBondContact N-O 3.29Å; G137-R152 PolarHBondContact O-N 2.91Å; P148-R152 HydrophobicContact CB-CG 4.17Å; P148-R152 HydrophobicContact CG-CG 3.83Å; V150-R152 WeakPolarHBondContact O-CG 3.38Å; V150-R152 PolarHBondContact O-NE 3.19Å |
| 153 | E | 90.1 | Very high | 81 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.8 | 176.4 | 65.7 | -179.7 | -166.3 | 0 | 0 | 112 | G10 T11 A13 H18 V134 V135 A136 | G10-E153 CarbonylContact C-O 3.6Å; G10-E153 VanDerWaalsContact CA-O 3.26Å; G10-E153 WeakPolarHBondContact CA-O 3.27Å; T11-E153 PolarHBondContact N-O 3.1Å; T11-E153 PolarHBondContact O-N 2.8Å; A13-E153 HydrophobicContact CB-CB 4.4Å; A13-E153 HydrophobicContact CB-CG 4.32Å; H18-E153 IonicContact CD2-OE2 3.88Å; H18-E153 IonicContact CE1-OE2 3.8Å; H18-E153 PolarHBondContact CE1-OE2 2.92Å; H18-E153 IonicContact NE2-OE2 2.74Å; H18-E153 PolarHBondContact NE2-OE2 2.99Å; V134-E153 HydrophobicContact CG1-CB 4.05Å; V135-E153 CarbonylContact O-C 3.59Å; V135-E153 VanDerWaalsContact O-CA 3.31Å; V135-E153 WeakPolarHBondContact O-CA 3.35Å; A136-E153 HydrophobicContact CB-CB 4.21Å |
| 154 | V | 88 | Confident | 81.8 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.4 | 174.3 | 64 | 0 | 0 | 0 | 0 | 111.3 | V7 V134 V135 L156 R199 | V7-V154 HydrophobicContact CG1-CB 3.61Å; V7-V154 HydrophobicContact CG1-CG1 3.67Å; V7-V154 HydrophobicContact CG1-CG2 4.33Å; V134-V154 WeakPolarHBondContact CA-O 3.46Å; V135-V154 HydrophobicContact CB-CG1 4.23Å; V135-V154 PolarHBondContact N-O 2.85Å; V135-V154 PolarHBondContact O-N 2.87Å; V154-L156 HydrophobicContact CG1-CD2 4.34Å; V154-L156 HydrophobicContact CG1-CG 4.35Å; V154-L156 HydrophobicContact CG2-CD2 4.24Å; V154-R199 HydrophobicContact CG2-CB 3.84Å; V154-R199 HydrophobicContact CG2-CG 4.01Å |
| 155 | H | 87.8 | Confident | 82.1 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.6 | 172.9 | -66.3 | -88 | 0 | 0 | 0 | 111.1 | C133 V134 | C133-H155 CarbonylContact O-C 3.58Å; C133-H155 VanDerWaalsContact O-CA 3.29Å; C133-H155 WeakPolarHBondContact O-CA 3.27Å; V134-H155 WeakPolarHBondContact CG2-ND1 3.46Å |
| 156 | L | 86.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.9 | 175.9 | -56.9 | 180 | 0 | 0 | 0 | 110.1 | C133 V135 V154 A192 R199 L210 F254 | C133-L156 PolarHBondContact N-O 2.9Å; C133-L156 PolarHBondContact O-N 3.26Å; V135-L156 HydrophobicContact CB-CD1 4.49Å; V135-L156 HydrophobicContact CG2-CD1 3.66Å; V135-L156 HydrophobicContact CG2-CG 4.47Å; V154-L156 HydrophobicContact CG1-CD2 4.34Å; V154-L156 HydrophobicContact CG1-CG 4.35Å; V154-L156 HydrophobicContact CG2-CD2 4.24Å; L156-A192 HydrophobicContact CB-CB 3.95Å; L156-A192 HydrophobicContact CD1-CB 4.28Å; L156-R199 HydrophobicContact CD2-CB 4.05Å; L156-L210 HydrophobicContact CD1-CD1 4.44Å; L156-F254 HydrophobicContact CD1-CE2 4.31Å; L156-F254 HydrophobicContact CD1-CZ 3.84Å |
| 157 | G | 85.8 | Confident | 82.3 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A192 G193 | G157-A192 CarbonylContact O-C 3.55Å; G157-A192 WeakPolarHBondContact O-CA 3.17Å; G157-G193 PolarHBondContact O-N 2.91Å |
| 158 | L | 86.9 | Confident | 82.1 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 143.9 | 176 | -64.3 | 174.9 | 0 | 0 | 0 | 111 | I127 L190 A192 L210 L224 | I127-L158 HydrophobicContact CB-CD1 4.42Å; I127-L158 HydrophobicContact CG2-CD1 3.23Å; L158-L190 HydrophobicContact CD2-CD1 4.36Å; L158-L190 HydrophobicContact CD2-CD2 4.23Å; L158-L190 HydrophobicContact CD2-CG 4.44Å; L158-A192 HydrophobicContact CD2-CB 4.16Å; L158-L210 HydrophobicContact CD2-CD2 4.04Å; L158-L224 HydrophobicContact CD1-CD1 4.15Å |
| 159 | V | 83.7 | Confident | 81.3 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -100.4 | 135.3 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | K163 C164 C191 G193 W237 P251 | V159-K163 HydrophobicContact CG1-CB 4.07Å; V159-K163 HydrophobicContact CG1-CD 4.27Å; V159-K163 HydrophobicContact CG1-CG 4.13Å; V159-C164 HydrophobicContact CG1-CB 4.48Å; V159-C191 HydrophobicContact CB-CB 3.79Å; V159-C191 HydrophobicContact CG1-CB 4.32Å; V159-C191 HydrophobicContact CG2-CB 4.21Å; V159-C191 PolarHBondContact N-O 2.73Å; V159-G193 WeakPolarHBondContact CG2-O 3.29Å; V159-W237 HydrophobicContact CG1-CH2 3.74Å; V159-W237 HydrophobicContact CG1-CZ2 4.39Å; V159-W237 HydrophobicContact CG2-CH2 3.92Å; V159-W237 HydrophobicContact CG2-CZ2 3.71Å; V159-P251 HydrophobicContact CG2-CB 4.36Å |
| 160 | D | 80.3 | Confident | 80.4 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 57% | 0.572 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -51.7 | 139.7 | 175.8 | 175.4 | -94.2 | 0 | 0 | 0 | 112.2 | A162 K163 C164 | D160-A162 VanDerWaalsContact C-N 3.34Å; D160-A162 PolarHBondContact O-N 3.17Å; D160-A162 WeakPolarHBondContact OD1-CA 3.34Å; D160-A162 VanDerWaalsContact OD1-CB 3.27Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 2.89Å; D160-K163 HydrophobicContact CB-CB 4.21Å; D160-K163 CarbonylContact O-C 3.39Å; D160-K163 WeakPolarHBondContact O-CA 3.46Å; D160-K163 WeakPolarHBondContact O-CB 3.24Å; D160-K163 PolarHBondContact O-N 3.45Å; D160-K163 VanDerWaalsContact O-N 3.09Å; D160-K163 PolarHBondContact OD1-N 3.31Å; D160-C164 PolarHBondContact O-N 2.72Å |
| 161 | Q | 76.5 | Confident | 79.2 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -33.8 | -171.6 | -170.5 | 63.2 | -5.8 | 0 | 0 | 112.9 | K163 K165 I189 | Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K165 WeakPolarHBondContact O-CB 3.21Å; Q161-K165 VanDerWaalsContact O-CG 3.27Å; Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 2.66Å; Q161-I189 PolarHBondContact NE2-O 3.29Å; Q161-I189 PolarHBondContact OE1-O 3.37Å |
| 162 | A | 74.7 | Confident | 77.6 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 58% | 0.579 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.7 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D160 Y166 | D160-A162 VanDerWaalsContact C-N 3.34Å; D160-A162 PolarHBondContact O-N 3.17Å; D160-A162 WeakPolarHBondContact OD1-CA 3.34Å; D160-A162 VanDerWaalsContact OD1-CB 3.27Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 2.89Å; A162-Y166 PolarHBondContact O-N 2.68Å |
| 163 | K | 78.8 | Confident | 75.9 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 175.3 | -168.7 | 168.9 | -170 | 161.8 | 0 | 112.6 | V159 D160 Q161 K165 Y166 V167 E195 W237 | V159-K163 HydrophobicContact CG1-CB 4.07Å; V159-K163 HydrophobicContact CG1-CD 4.27Å; V159-K163 HydrophobicContact CG1-CG 4.13Å; D160-K163 HydrophobicContact CB-CB 4.21Å; D160-K163 CarbonylContact O-C 3.39Å; D160-K163 WeakPolarHBondContact O-CA 3.46Å; D160-K163 WeakPolarHBondContact O-CB 3.24Å; D160-K163 PolarHBondContact O-N 3.45Å; D160-K163 VanDerWaalsContact O-N 3.09Å; D160-K163 PolarHBondContact OD1-N 3.31Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; K163-K165 PolarHBondContact O-N 2.7Å; K163-Y166 PolarHBondContact O-N 2.7Å; K163-V167 WeakPolarHBondContact O-CG2 3.44Å; K163-V167 PolarHBondContact O-N 3.36Å; K163-E195 WeakPolarHBondContact CE-OE1 3.41Å; K163-E195 IonicContact NZ-OE1 2.93Å; K163-E195 PolarHBondContact NZ-OE1 2.99Å; K163-E195 IonicContact NZ-OE2 2.82Å; K163-E195 PolarHBondContact NZ-OE2 3.26Å; K163-W237 HydrophobicContact CD-CH2 4.38Å; K163-W237 HydrophobicContact CD-CZ3 4.48Å; K163-W237 HydrophobicContact CG-CZ3 4.41Å |
| 164 | C | 79.5 | Confident | 74 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.1 | -180 | 0 | 0 | 0 | 0 | 111 | V159 D160 Y166 V167 Q168 C191 | V159-C164 HydrophobicContact CG1-CB 4.48Å; D160-C164 PolarHBondContact O-N 2.72Å; C164-Y166 VanDerWaalsContact C-N 3.34Å; C164-Y166 PolarHBondContact O-N 3.02Å; C164-V167 PolarHBondContact O-N 2.84Å; C164-Q168 WeakPolarHBondContact O-CG 3.38Å; C164-Q168 PolarHBondContact O-N 2.92Å; C164-Q168 VanDerWaalsContact O-N 3.13Å; C164-C191 HydrophobicContact CB-CB 3.57Å; C164-C191 WeakPolarHBondContact CB-SG 3.17Å; C164-C191 WeakPolarHBondContact SG-CB 3.3Å; C164-C191 CovalentContact SG-SG 2.03Å; C164-C191 PolarHBondContact SG-SG 3.37Å |
| 165 | K | 75.3 | Confident | 72.1 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 175.5 | -74.7 | 175.8 | 178 | -176.3 | 0 | 112.4 | Q161 K163 Q168 L169 M187 | Q161-K165 WeakPolarHBondContact O-CB 3.21Å; Q161-K165 VanDerWaalsContact O-CG 3.27Å; Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 2.66Å; K163-K165 PolarHBondContact O-N 2.7Å; K165-Q168 PolarHBondContact O-N 3.12Å; K165-L169 WeakPolarHBondContact O-CG 3.38Å; K165-L169 PolarHBondContact O-N 2.92Å; K165-M187 HydrophobicContact CG-CE 4.26Å |
| 166 | Y | 73.2 | Confident | 69.9 | Low | 109 Ų | 109 | 60.8 Ų | 60.8 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 178.8 | -179.7 | -94.1 | 0 | 0 | 0 | 112.5 | A162 K163 C164 Q168 L169 M170 M239 | A162-Y166 PolarHBondContact O-N 2.68Å; K163-Y166 PolarHBondContact O-N 2.7Å; C164-Y166 VanDerWaalsContact C-N 3.34Å; C164-Y166 PolarHBondContact O-N 3.02Å; Y166-Q168 VanDerWaalsContact C-N 3.3Å; Y166-Q168 PolarHBondContact O-N 2.96Å; Y166-L169 WeakPolarHBondContact O-CB 3.34Å; Y166-L169 PolarHBondContact O-N 3.39Å; Y166-M170 HydrophobicContact CD1-CE 4Å; Y166-M170 HydrophobicContact CE1-CE 3.5Å; Y166-M170 VanDerWaalsContact CE1-CE 3.5Å; Y166-M170 HydrophobicContact CE1-CG 4.11Å; Y166-M170 HydrophobicContact CE1-SD 3.64Å; Y166-M170 PolarHBondContact O-N 3.18Å; Y166-M239 HydrophobicContact CE1-CE 3.63Å; Y166-M239 WeakPolarHBondContact OH-CE 3.47Å |
| 167 | V | 70.1 | Confident | 68 | Low | 10 Ų | 10 | 70.5 Ų | 70.5 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | K163 C164 L169 M170 I171 W237 P251 | K163-V167 WeakPolarHBondContact O-CG2 3.44Å; K163-V167 PolarHBondContact O-N 3.36Å; C164-V167 PolarHBondContact O-N 2.84Å; V167-L169 PolarHBondContact O-N 3.09Å; V167-M170 PolarHBondContact O-N 3.04Å; V167-I171 HydrophobicContact CG1-CD1 3.9Å; V167-I171 HydrophobicContact CG1-CG1 4.49Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.79Å; V167-W237 HydrophobicContact CG1-CE3 4.33Å; V167-W237 HydrophobicContact CG2-CE3 3.66Å; V167-W237 HydrophobicContact CG2-CZ3 3.51Å; V167-P251 HydrophobicContact CG1-CG 4.45Å |
| 168 | Q | 68.9 | Low | 66 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 2% | 0.023 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.1 | -71.9 | 173.5 | 3.2 | 0 | 0 | 113.3 | C164 K165 Y166 M170 I171 K172 M187 | C164-Q168 WeakPolarHBondContact O-CG 3.38Å; C164-Q168 PolarHBondContact O-N 2.92Å; C164-Q168 VanDerWaalsContact O-N 3.13Å; K165-Q168 PolarHBondContact O-N 3.12Å; Y166-Q168 VanDerWaalsContact C-N 3.3Å; Y166-Q168 PolarHBondContact O-N 2.96Å; Q168-M170 VanDerWaalsContact C-N 3.26Å; Q168-M170 PolarHBondContact O-N 2.66Å; Q168-I171 PolarHBondContact O-N 2.75Å; Q168-K172 WeakPolarHBondContact O-CG 3.46Å; Q168-K172 PolarHBondContact O-N 3.05Å; Q168-M187 PolarHBondContact OE1-SD 3.33Å |
| 169 | L | 66.9 | Low | 63.7 | Low | 80 Ų | 80 | 85.3 Ų | 85.3 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 174.4 | -70.9 | 171.2 | 0 | 0 | 0 | 111.4 | K165 Y166 V167 S173 L183 | K165-L169 WeakPolarHBondContact O-CG 3.38Å; K165-L169 PolarHBondContact O-N 2.92Å; Y166-L169 WeakPolarHBondContact O-CB 3.34Å; Y166-L169 PolarHBondContact O-N 3.39Å; V167-L169 PolarHBondContact O-N 3.09Å; L169-S173 PolarHBondContact O-N 3.18Å; L169-L183 HydrophobicContact CD2-CD1 4.48Å; L169-L183 HydrophobicContact CD2-CD2 4.21Å |
| 170 | M | 65.2 | Low | 61.8 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.4 | -33.4 | 175.2 | -65.9 | -156.5 | -65.1 | 0 | 0 | 113.4 | Y166 V167 Q168 S173 S174 | Y166-M170 HydrophobicContact CD1-CE 4Å; Y166-M170 HydrophobicContact CE1-CE 3.5Å; Y166-M170 VanDerWaalsContact CE1-CE 3.5Å; Y166-M170 HydrophobicContact CE1-CG 4.11Å; Y166-M170 HydrophobicContact CE1-SD 3.64Å; Y166-M170 PolarHBondContact O-N 3.18Å; V167-M170 PolarHBondContact O-N 3.04Å; Q168-M170 VanDerWaalsContact C-N 3.26Å; Q168-M170 PolarHBondContact O-N 2.66Å; M170-S173 PolarHBondContact O-OG 2.94Å; M170-S174 PolarHBondContact O-OG 3.35Å |
| 171 | I | 64 | Low | 59.8 | Low | 10 Ų | 10 | 98.1 Ų | 98.1 | 5% | 0.051 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 175 | -68.2 | 166.2 | 0 | 0 | 0 | 109.9 | V167 Q168 S173 S174 F175 W229 S250 | V167-I171 HydrophobicContact CG1-CD1 3.9Å; V167-I171 HydrophobicContact CG1-CG1 4.49Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.79Å; Q168-I171 PolarHBondContact O-N 2.75Å; I171-S173 VanDerWaalsContact C-N 3.33Å; I171-S173 PolarHBondContact O-N 3.29Å; I171-S174 WeakPolarHBondContact O-CB 3.37Å; I171-S174 PolarHBondContact O-N 2.98Å; I171-S174 VanDerWaalsContact O-N 3.09Å; I171-F175 HydrophobicContact CG2-CD2 4.47Å; I171-F175 HydrophobicContact CG2-CE2 3.76Å; I171-F175 VanDerWaalsContact O-CD2 3.24Å; I171-F175 WeakPolarHBondContact O-CD2 3.39Å; I171-W229 HydrophobicContact CG2-CH2 4.19Å; I171-W229 HydrophobicContact CG2-CZ3 4.28Å; I171-S250 VanDerWaalsContact CD1-CB 3.45Å |
| 172 | K | 57.9 | Low | 58 | Low | 71 Ų | 71 | 105.1 Ų | 105.1 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 176.8 | -79.9 | 176.5 | 171.9 | 173.3 | 0 | 113.6 | Q168 S174 F175 | Q168-K172 WeakPolarHBondContact O-CG 3.46Å; Q168-K172 PolarHBondContact O-N 3.05Å; K172-S174 PolarHBondContact O-N 3.11Å; K172-F175 PolarHBondContact O-N 3.39Å; K172-F175 VanDerWaalsContact O-N 3.14Å |
| 173 | S | 52.9 | Low | 56.4 | Low | 95 Ų | 95 | 107 Ų | 107 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11 | 179 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | L169 M170 I171 | L169-S173 PolarHBondContact O-N 3.18Å; M170-S173 PolarHBondContact O-OG 2.94Å; I171-S173 VanDerWaalsContact C-N 3.33Å; I171-S173 PolarHBondContact O-N 3.29Å |
| 174 | S | 50.2 | Low | 54.6 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.8 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | M170 I171 K172 | M170-S174 PolarHBondContact O-OG 3.35Å; I171-S174 WeakPolarHBondContact O-CB 3.37Å; I171-S174 PolarHBondContact O-N 2.98Å; I171-S174 VanDerWaalsContact O-N 3.09Å; K172-S174 PolarHBondContact O-N 3.11Å |
| 175 | F | 49.3 | Very low | 53 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -103.3 | 133.8 | 176.7 | -68.8 | -82.4 | 0 | 0 | 0 | 111.2 | I171 K172 | I171-F175 HydrophobicContact CG2-CD2 4.47Å; I171-F175 HydrophobicContact CG2-CE2 3.76Å; I171-F175 VanDerWaalsContact O-CD2 3.24Å; I171-F175 WeakPolarHBondContact O-CD2 3.39Å; K172-F175 PolarHBondContact O-N 3.39Å; K172-F175 VanDerWaalsContact O-N 3.14Å |
| 176 | P | 41.4 | Very low | 51.9 | Low | 124 Ų | 124 | 114 Ų | 114 | 81% | 0.805 | 58% | 0.577 | S | S | * | * | trans | -72.4 | 133.9 | -172.3 | -12.3 | 27.1 | 0 | 0 | 0 | 113.6 | ||||
| 177 | K | 46.2 | Very low | 51.6 | Low | 208 Ų | 208 | 109.5 Ų | 109.5 | 90% | 0.904 | 56% | 0.56 | S | S | * | * | trans | 30.7 | 83.2 | 160.3 | -64.1 | -175 | -178.1 | 177.9 | 0 | 117.1 | ||||
| 178 | Q | 43.4 | Very low | 52.2 | Low | 173 Ų | 173 | 109.3 Ų | 109.3 | 81% | 0.808 | 56% | 0.559 | S | S | * | * | trans | -110.9 | 131.4 | 140.3 | -83 | -171.8 | -2.8 | 0 | 0 | 109.2 | Q180 | Q178-Q180 PolarHBondContact O-N 2.78Š| ||
| 179 | K | 39.6 | Very low | 52.9 | Low | 209 Ų | 209 | 109.3 Ų | 109.3 | 91% | 0.909 | 56% | 0.558 | S | S | * | * | trans | -42.5 | 129.9 | -179.7 | -86.3 | 173.6 | 170.6 | 174.8 | 0 | 110.6 | K181 | K179-K181 PolarHBondContact O-N 2.75Š| ||
| 180 | Q | 43.7 | Very low | 53.9 | Low | 198 Ų | 198 | 106 Ų | 106 | 93% | 0.925 | 54% | 0.542 | S | S | * | . | trans | -57.9 | 86 | 166.6 | -75.4 | 171 | 0.8 | 0 | 0 | 109.5 | Q178 | Q178-Q180 PolarHBondContact O-N 2.78Š| ||
| 181 | K | 37.9 | Very low | 55 | Low | 196 Ų | 196 | 102.4 Ų | 102.4 | 85% | 0.852 | 52% | 0.524 | S | S | * | . | trans | -86 | 128.3 | 152.6 | -112.1 | -179.1 | 176.1 | -178.3 | 0 | 105.9 | K179 L183 | K179-K181 PolarHBondContact O-N 2.75Å; K181-L183 PolarHBondContact O-N 2.98Å | ||
| 182 | F | 39.8 | Very low | 56.1 | Low | 204 Ų | 204 | 102 Ų | 102 | 90% | 0.895 | 52% | 0.521 | S | S | * | . | trans | -37.6 | 133.2 | 179.7 | -88.3 | -104.2 | 0 | 0 | 0 | 112.3 | N184 | F182-N184 PolarHBondContact O-N 3.46Š| ||
| 183 | L | 40.7 | Very low | 57.4 | Low | 109 Ų | 109 | 99 Ų | 99 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | trans | -50.8 | 122.5 | 178.1 | -97.8 | 81.5 | 0 | 0 | 0 | 110.6 | L169 K181 P185 | L169-L183 HydrophobicContact CD2-CD1 4.48Å; L169-L183 HydrophobicContact CD2-CD2 4.21Å; K181-L183 PolarHBondContact O-N 2.98Å; L183-P185 WeakPolarHBondContact O-CD 3.29Å | ||
| 184 | N | 41.4 | Very low | 58.8 | Low | 133 Ų | 133 | 97.1 Ų | 97.1 | 71% | 0.711 | 50% | 0.501 | S | S | * | . | trans | -62.3 | 124.5 | 157.3 | -92 | -1.9 | 0 | 0 | 0 | 108.2 | F182 A186 | F182-N184 PolarHBondContact O-N 3.46Å; N184-A186 PolarHBondContact O-N 2.85Å | ||
| 185 | P | 44.3 | Very low | 60.2 | Low | 116 Ų | 116 | 97 Ų | 97 | 75% | 0.753 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -65.2 | -17 | -176.3 | -22.5 | 32.4 | 0 | 0 | 0 | 115.2 | L183 | L183-P185 WeakPolarHBondContact O-CD 3.29Š|
| 186 | A | 52.8 | Low | 61.3 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | trans | -105 | 80.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N184 | N184-A186 PolarHBondContact O-N 2.85Š| ||
| 187 | M | 67.2 | Low | 63 | Low | 14 Ų | 14 | 89.2 Ų | 89.2 | 7% | 0.069 | 47% | 0.466 | C | S | . | . | trans | -80.5 | 126 | 164.3 | -69.3 | -165.1 | -78.1 | 0 | 0 | 108.6 | K165 Q168 I189 | K165-M187 HydrophobicContact CG-CE 4.26Å; Q168-M187 PolarHBondContact OE1-SD 3.33Å; M187-I189 HydrophobicContact CB-CD1 4.2Å; M187-I189 HydrophobicContact CB-CG1 4.3Å; M187-I189 PolarHBondContact O-N 2.95Å; M187-I189 HydrophobicContact SD-CD1 4.38Å | ||
| 188 | T | 83.3 | Confident | 64.1 | Low | 6 Ų | 6 | 81.2 Ų | 81.2 | 4% | 0.037 | 44% | 0.443 | C | S | . | . | trans | -84.6 | 44.3 | -177.4 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | Y98 T255 D256 L260 | Y98-T188 HydrophobicContact CD1-CG2 3.74Å; Y98-T188 HydrophobicContact CE1-CG2 3.49Å; Y98-T188 VanDerWaalsContact CE1-CG2 3.49Å; Y98-T188 HydrophobicContact CE2-CG2 4.36Å; Y98-T188 HydrophobicContact CG-CG2 4.28Å; Y98-T188 PolarHBondContact N-OG1 3.44Å; T188-T255 WeakPolarHBondContact O-CA 3.41Å; T188-D256 PolarHBondContact O-N 3.15Å; T188-L260 HydrophobicContact CG2-CD2 3.78Å; T188-L260 HydrophobicContact CG2-CG 4.34Å | ||
| 189 | I | 83.8 | Confident | 65.6 | Low | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.4 | -165.7 | -55 | 172.4 | 0 | 0 | 0 | 110.8 | P95 Q161 M187 I253 F254 | P95-I189 HydrophobicContact CB-CD1 4.1Å; Q161-I189 PolarHBondContact NE2-O 3.29Å; Q161-I189 PolarHBondContact OE1-O 3.37Å; M187-I189 HydrophobicContact CB-CD1 4.2Å; M187-I189 HydrophobicContact CB-CG1 4.3Å; M187-I189 PolarHBondContact O-N 2.95Å; M187-I189 HydrophobicContact SD-CD1 4.38Å; I189-I253 HydrophobicContact CG2-CG2 3.41Å; I189-I253 VanDerWaalsContact CG2-CG2 3.41Å; I189-F254 WeakPolarHBondContact CA-O 3.42Å |
| 190 | L | 87.4 | Confident | 67.1 | Low | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.8 | 172.5 | 180 | 67.6 | 0 | 0 | 0 | 109.2 | L158 L210 L224 F254 D256 | L158-L190 HydrophobicContact CD2-CD1 4.36Å; L158-L190 HydrophobicContact CD2-CD2 4.23Å; L158-L190 HydrophobicContact CD2-CG 4.44Å; L190-L210 HydrophobicContact CD2-CD2 3.88Å; L190-L224 HydrophobicContact CD2-CB 4.11Å; L190-F254 HydrophobicContact CB-CB 4.3Å; L190-F254 PolarHBondContact N-O 3.29Å; L190-F254 PolarHBondContact O-N 3.11Å; L190-D256 HydrophobicContact CB-CB 4.07Å |
| 191 | C | 87.2 | Confident | 68.5 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.2 | 176 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | V159 C164 P251 G252 | V159-C191 HydrophobicContact CB-CB 3.79Å; V159-C191 HydrophobicContact CG1-CB 4.32Å; V159-C191 HydrophobicContact CG2-CB 4.21Å; V159-C191 PolarHBondContact N-O 2.73Å; C164-C191 HydrophobicContact CB-CB 3.57Å; C164-C191 WeakPolarHBondContact CB-SG 3.17Å; C164-C191 WeakPolarHBondContact SG-CB 3.3Å; C164-C191 CovalentContact SG-SG 2.03Å; C164-C191 PolarHBondContact SG-SG 3.37Å; C191-P251 HydrophobicContact CB-CB 4.21Å; C191-P251 HydrophobicContact CB-CG 3.94Å; C191-G252 WeakPolarHBondContact CA-O 3.31Å |
| 192 | A | 87.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 146 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L156 G157 L158 L210 G252 F254 | L156-A192 HydrophobicContact CB-CB 3.95Å; L156-A192 HydrophobicContact CD1-CB 4.28Å; G157-A192 CarbonylContact O-C 3.55Å; G157-A192 WeakPolarHBondContact O-CA 3.17Å; L158-A192 HydrophobicContact CD2-CB 4.16Å; A192-L210 HydrophobicContact CB-CD2 4.05Å; A192-G252 PolarHBondContact N-O 3.22Å; A192-G252 PolarHBondContact O-N 3.13Å; A192-F254 HydrophobicContact CB-CD2 4.18Å; A192-F254 HydrophobicContact CB-CE2 3.71Å |
| 193 | G | 85.8 | Confident | 71.6 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 132 | 153.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G157 V159 | G157-G193 PolarHBondContact O-N 2.91Å; V159-G193 WeakPolarHBondContact CG2-O 3.29Å |
| 194 | A | 81.1 | Confident | 72.8 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | trans | -77.2 | 144.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G196 G197 W237 | A194-G196 PolarHBondContact O-N 2.96Å; A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.85Å; A194-W237 PolarHBondContact O-NE1 2.86Å | ||
| 195 | E | 79.6 | Confident | 74.6 | Confident | 89 Ų | 89 | 36.7 Ų | 36.7 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.2 | 178.8 | -74.2 | 175.4 | -127.6 | 0 | 0 | 114 | K163 G197 S236 W237 G238 | K163-E195 WeakPolarHBondContact CE-OE1 3.41Å; K163-E195 IonicContact NZ-OE1 2.93Å; K163-E195 PolarHBondContact NZ-OE1 2.99Å; K163-E195 IonicContact NZ-OE2 2.82Å; K163-E195 PolarHBondContact NZ-OE2 3.26Å; E195-G197 PolarHBondContact O-N 2.98Å; E195-S236 WeakPolarHBondContact O-CA 3.02Å; E195-W237 HydrophobicContact CB-CZ2 4.47Å; E195-W237 HydrophobicContact CG-CD2 4.38Å; E195-W237 HydrophobicContact CG-CE3 4.35Å; E195-W237 HydrophobicContact CG-CH2 3.64Å; E195-W237 HydrophobicContact CG-CZ2 3.66Å; E195-W237 HydrophobicContact CG-CZ3 3.99Å; E195-W237 PolarHBondContact O-N 3.17Å; E195-G238 PolarHBondContact O-N 2.99Å |
| 196 | G | 72.9 | Confident | 76.7 | Confident | 64 Ų | 64 | 32.2 Ų | 32.2 | 66% | 0.66 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A194 | A194-G196 PolarHBondContact O-N 2.96Š|
| 197 | G | 76 | Confident | 78.5 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | trans | 68.6 | -147.5 | -172 | 0 | 0 | 0 | 0 | 0 | 111.7 | A194 E195 R199 G234 | A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.85Å; E195-G197 PolarHBondContact O-N 2.98Å; G197-R199 PolarHBondContact O-N 2.97Å; G197-R199 VanDerWaalsContact O-N 3.16Å; G197-G234 WeakPolarHBondContact CA-O 3.28Å | ||
| 198 | G | 69.7 | Low | 79.7 | Confident | 40 Ų | 40 | 28.8 Ų | 28.8 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 78.7 | -14.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V8 G9 G234 | V8-G198 CarbonylContact C-O 3.55Å; V8-G198 VanDerWaalsContact C-O 3.27Å; G9-G198 VanDerWaalsContact CA-O 3.29Å; G9-G198 WeakPolarHBondContact CA-O 3.28Å; G9-G198 PolarHBondContact N-O 2.82Å; G198-G234 PolarHBondContact N-O 2.9Å |
| 199 | R | 75.7 | Confident | 80.3 | Confident | 135 Ų | 135 | 28.7 Ų | 28.7 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | trans | -137.5 | 128.2 | 171.7 | -67.8 | -177.2 | -171.3 | 166.9 | 5.5 | 111.6 | V8 V154 L156 G197 | V8-R199 VanDerWaalsContact O-CA 3.23Å; V8-R199 WeakPolarHBondContact O-CA 3.04Å; V154-R199 HydrophobicContact CG2-CB 3.84Å; V154-R199 HydrophobicContact CG2-CG 4.01Å; L156-R199 HydrophobicContact CD2-CB 4.05Å; G197-R199 PolarHBondContact O-N 2.97Å; G197-R199 VanDerWaalsContact O-N 3.16Å | ||
| 200 | D | 70.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -166.5 | 159.1 | -176.6 | -150.6 | -2.8 | 0 | 0 | 0 | 112.6 | G234 G252 | D200-G234 PolarHBondContact OD2-N 3.09Å; D200-G252 VanDerWaalsContact OD1-CA 3.31Å; D200-G252 WeakPolarHBondContact OD1-CA 3.17Å; D200-G252 PolarHBondContact OD1-N 3.14Å |
| 201 | A | 73.9 | Confident | 81 | Confident | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | trans | -74.8 | 152.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V135 D205 T227 F254 | V135-A201 HydrophobicContact CG1-CB 4.05Å; A201-D205 HydrophobicContact CB-CB 4.28Å; A201-T227 HydrophobicContact CB-CG2 3.86Å; A201-F254 HydrophobicContact CB-CZ 4.25Å | ||
| 202 | C | 75.3 | Confident | 81 | Confident | 10 Ų | 10 | 28 Ų | 28 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | trans | -139.8 | -177.9 | -178.9 | -160.2 | 0 | 0 | 0 | 0 | 112.1 | K140 G204 D205 C233 | K140-C202 VanDerWaalsContact O-CB 3.26Å; K140-C202 WeakPolarHBondContact O-CB 3.02Å; C202-G204 PolarHBondContact O-N 3.35Å; C202-D205 PolarHBondContact N-OD2 3.27Å; C202-D205 WeakPolarHBondContact O-CB 3.12Å; C202-D205 PolarHBondContact O-N 2.94Å; C202-C233 WeakPolarHBondContact CA-SG 3.35Å; C202-C233 HydrophobicContact CB-CB 3.69Å; C202-C233 WeakPolarHBondContact CB-SG 3.36Å; C202-C233 WeakPolarHBondContact SG-CB 3.28Å; C202-C233 CovalentContact SG-SG 2.04Å; C202-C233 PolarHBondContact SG-SG 3.42Å | ||
| 203 | Q | 68 | Low | 80.8 | Confident | 113 Ų | 113 | 31.6 Ų | 31.6 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 127.5 | -179.9 | -68.1 | -178.7 | -18.1 | 0 | 0 | 111.4 | G139 K140 | G139-Q203 CarbonylContact C-O 3.1Å; G139-Q203 WeakPolarHBondContact CA-O 3.37Å; K140-Q203 HydrophobicContact CD-CB 4.06Å; K140-Q203 HydrophobicContact CG-CB 4.36Å; K140-Q203 PolarHBondContact N-O 3.22Å |
| 204 | G | 64.8 | Low | 79.9 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -16.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H30 C202 S206 | H30-G204 PolarHBondContact NE2-O 2.81Å; C202-G204 PolarHBondContact O-N 3.35Å; G204-S206 VanDerWaalsContact C-N 3.3Å |
| 205 | D | 79.7 | Confident | 79 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | trans | -85.9 | -7.1 | 167.6 | -56.7 | -46.8 | 0 | 0 | 0 | 112.1 | G137 G139 A201 C202 G207 G208 T227 | G137-D205 VanDerWaalsContact CA-OD1 3.31Å; G137-D205 WeakPolarHBondContact CA-OD1 3.41Å; G139-D205 WeakPolarHBondContact CA-OD1 3.18Å; G139-D205 PolarHBondContact N-OD1 2.94Å; A201-D205 HydrophobicContact CB-CB 4.28Å; C202-D205 PolarHBondContact N-OD2 3.27Å; C202-D205 WeakPolarHBondContact O-CB 3.12Å; C202-D205 PolarHBondContact O-N 2.94Å; D205-G207 PolarHBondContact O-N 2.7Å; D205-G208 WeakPolarHBondContact O-CA 3.47Å; D205-G208 PolarHBondContact O-N 3.44Å; D205-T227 HydrophobicContact CB-CG2 4.23Å; D205-T227 WeakPolarHBondContact O-CB 3.24Å; D205-T227 PolarHBondContact O-OG1 2.97Å | ||
| 206 | S | 87.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 132 | 177.9 | -79.2 | 0 | 0 | 0 | 0 | 112.1 | C32 G33 H47 G204 G208 | C32-S206 CarbonylContact C-O 3.42Å; C32-S206 VanDerWaalsContact CA-O 3.31Å; C32-S206 WeakPolarHBondContact CA-O 3.29Å; C32-S206 VanDerWaalsContact CB-O 3.3Å; C32-S206 WeakPolarHBondContact CB-O 3.45Å; G33-S206 PolarHBondContact N-O 2.67Å; H47-S206 WeakPolarHBondContact NE2-CB 3.12Å; H47-S206 PolarHBondContact NE2-OG 3.28Å; G204-S206 VanDerWaalsContact C-N 3.3Å; S206-G208 PolarHBondContact O-N 3.17Å |
| 207 | G | 90.8 | Very high | 76.9 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -16.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G33 G34 T44 D205 T227 | G33-G207 CarbonylContact O-C 3.58Å; G33-G207 WeakPolarHBondContact O-CA 3.47Å; G34-G207 WeakPolarHBondContact CA-O 3.47Å; T44-G207 WeakPolarHBondContact OG1-CA 3.28Å; D205-G207 PolarHBondContact O-N 2.7Å; G207-T227 PolarHBondContact N-O 3.13Å |
| 208 | G | 93.4 | Very high | 76.3 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -69.2 | 154.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D205 S206 T227 | D205-G208 WeakPolarHBondContact O-CA 3.47Å; D205-G208 PolarHBondContact O-N 3.44Å; S206-G208 PolarHBondContact O-N 3.17Å; G208-T227 WeakPolarHBondContact O-CB 3.47Å; G208-T227 PolarHBondContact O-N 3.15Å; G208-T227 PolarHBondContact O-OG1 3.46Å | ||
| 209 | P | 95.4 | Very high | 76.1 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.3 | -174.2 | 33.1 | -35.4 | 0 | 0 | 0 | 113.1 | L21 A35 V211 V223 | L21-P209 HydrophobicContact CD1-CG 4.25Å; A35-P209 HydrophobicContact CB-CB 3.84Å; A35-P209 HydrophobicContact CB-CG 3.79Å; P209-V211 HydrophobicContact CB-CG1 3.81Å; P209-V211 HydrophobicContact CG-CG1 4.11Å; P209-V223 HydrophobicContact CB-CB 4.37Å; P209-V223 HydrophobicContact CB-CG2 3.61Å |
| 210 | L | 93.6 | Very high | 76 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 107.9 | 157.7 | 176.3 | 71.3 | 0 | 0 | 0 | 107.9 | C133 V135 L156 L158 L190 A192 L224 G225 F254 | C133-L210 HydrophobicContact CB-CD1 3.7Å; C133-L210 HydrophobicContact CB-CG 4.16Å; V135-L210 HydrophobicContact CG2-CB 4.21Å; V135-L210 HydrophobicContact CG2-CD1 3.37Å; V135-L210 HydrophobicContact CG2-CG 4.4Å; L156-L210 HydrophobicContact CD1-CD1 4.44Å; L158-L210 HydrophobicContact CD2-CD2 4.04Å; L190-L210 HydrophobicContact CD2-CD2 3.88Å; A192-L210 HydrophobicContact CB-CD2 4.05Å; L210-L224 PolarHBondContact O-N 2.89Å; L210-G225 PolarHBondContact N-O 2.86Å; L210-G225 PolarHBondContact O-N 3.46Å; L210-F254 HydrophobicContact CB-CD1 3.64Å; L210-F254 HydrophobicContact CB-CE1 3.76Å; L210-F254 HydrophobicContact CB-CG 4.32Å; L210-F254 HydrophobicContact CD1-CE1 4.3Å; L210-F254 HydrophobicContact CD1-CZ 4.28Å; L210-F254 HydrophobicContact CD2-CD1 4.07Å; L210-F254 HydrophobicContact CD2-CD2 4.01Å; L210-F254 HydrophobicContact CD2-CE1 4.3Å; L210-F254 HydrophobicContact CD2-CE2 4.25Å; L210-F254 HydrophobicContact CD2-CG 3.94Å; L210-F254 HydrophobicContact CD2-CZ 4.39Å; L210-F254 HydrophobicContact CG-CD1 4.37Å; L210-F254 HydrophobicContact CG-CE1 4.35Å |
| 211 | V | 92.4 | Very high | 76.6 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 146.5 | -175.9 | -60.8 | 0 | 0 | 0 | 0 | 112 | W20 I118 C133 V134 P209 W221 I222 | W20-V211 HydrophobicContact CZ2-CG2 4.09Å; I118-V211 HydrophobicContact CD1-CB 4.37Å; I118-V211 HydrophobicContact CD1-CG1 3.75Å; I118-V211 HydrophobicContact CG1-CG1 3.97Å; C133-V211 CarbonylContact C-O 3.6Å; C133-V211 WeakPolarHBondContact CA-O 3.27Å; C133-V211 WeakPolarHBondContact CB-O 3.02Å; V134-V211 HydrophobicContact CB-CG2 4.14Å; V134-V211 PolarHBondContact N-O 3.48Å; V134-V211 WeakPolarHBondContact O-CG2 3.27Å; V134-V211 PolarHBondContact O-N 2.84Å; P209-V211 HydrophobicContact CB-CG1 3.81Å; P209-V211 HydrophobicContact CG-CG1 4.11Å; V211-W221 HydrophobicContact CB-CE3 4.03Å; V211-W221 HydrophobicContact CG2-CE3 3.69Å; V211-W221 HydrophobicContact CG2-CZ3 4.04Å; V211-I222 CarbonylContact C-O 3.54Å; V211-I222 VanDerWaalsContact CA-O 3.22Å; V211-I222 WeakPolarHBondContact CA-O 3.41Å |
| 212 | C | 88 | Confident | 77.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.9 | 178.2 | -43.4 | 0 | 0 | 0 | 0 | 109.6 | T131 C133 W221 I222 L224 | T131-C212 HydrophobicContact CG2-CB 3.81Å; C133-C212 HydrophobicContact CB-CB 4.09Å; C133-C212 WeakPolarHBondContact CB-SG 3.49Å; C133-C212 WeakPolarHBondContact SG-CB 3.03Å; C133-C212 CovalentContact SG-SG 2.03Å; C133-C212 PolarHBondContact SG-SG 2.8Å; C212-W221 WeakPolarHBondContact O-CA 3.37Å; C212-I222 PolarHBondContact N-O 3.18Å; C212-I222 VanDerWaalsContact O-CG1 3.3Å; C212-I222 WeakPolarHBondContact O-CG1 3.44Å; C212-I222 PolarHBondContact O-N 3.11Å; C212-L224 HydrophobicContact CB-CD1 3.99Å; C212-L224 HydrophobicContact CB-CG 4.32Å; C212-L224 WeakPolarHBondContact SG-CD1 3.33Å |
| 213 | Q | 82.2 | Confident | 77.9 | Confident | 75 Ų | 75 | 34.8 Ų | 34.8 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.6 | 172.2 | -71.9 | 178.7 | -24.6 | 0 | 0 | 110.3 | G215 R220 W221 | Q213-G215 PolarHBondContact O-N 2.82Å; Q213-G215 VanDerWaalsContact O-N 3.15Å; Q213-R220 WeakPolarHBondContact CA-O 3.45Å; Q213-W221 HydrophobicContact CG-CD2 4.1Å; Q213-W221 HydrophobicContact CG-CE3 4.19Å; Q213-W221 HydrophobicContact CG-CH2 3.89Å; Q213-W221 HydrophobicContact CG-CZ2 3.76Å; Q213-W221 HydrophobicContact CG-CZ3 4.09Å |
| 214 | A | 67.4 | Low | 79 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -67.8 | -8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F125 R220 I222 | F125-A214 VanDerWaalsContact CE2-O 3.28Å; F125-A214 WeakPolarHBondContact CE2-O 3.39Å; F125-A214 VanDerWaalsContact CZ-O 3.31Å; F125-A214 WeakPolarHBondContact CZ-O 3.5Å; A214-R220 HydrophobicContact CB-CB 4.22Å; A214-R220 PolarHBondContact N-O 3.17Å; A214-I222 HydrophobicContact CB-CG2 4.22Å |
| 215 | G | 63 | Low | 80.4 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -179.1 | 163.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q213 G217 S218 | Q213-G215 PolarHBondContact O-N 2.82Å; Q213-G215 VanDerWaalsContact O-N 3.15Å; G215-G217 PolarHBondContact O-N 3.2Å; G215-G217 VanDerWaalsContact O-N 3.12Å; G215-S218 PolarHBondContact O-N 2.94Å; G215-S218 VanDerWaalsContact O-N 3.12Å |
| 216 | A | 55.4 | Low | 81.1 | Confident | 115 Ų | 115 | 28.9 Ų | 28.9 | 95% | 0.95 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 115.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 217 | G | 53.2 | Low | 81.3 | Confident | 75 Ų | 75 | 28.2 Ų | 28.2 | 77% | 0.773 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 11.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G215 | G215-G217 PolarHBondContact O-N 3.2Å; G215-G217 VanDerWaalsContact O-N 3.12Å |
| 218 | S | 62.2 | Low | 81.2 | Confident | 22 Ų | 22 | 28.4 Ų | 28.4 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | trans | -83.2 | 137.5 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | G215 R220 | G215-S218 PolarHBondContact O-N 2.94Å; G215-S218 VanDerWaalsContact O-N 3.12Å; S218-R220 PolarHBondContact O-N 3.4Å; S218-R220 WeakPolarHBondContact OG-CB 3.2Å; S218-R220 PolarHBondContact OG-N 2.78Å; S218-R220 VanDerWaalsContact OG-N 3.13Å | ||
| 219 | D | 66.6 | Low | 80.6 | Confident | 157 Ų | 157 | 30.8 Ų | 30.8 | 84% | 0.84 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -76.6 | -4.2 | 170.3 | -70.7 | -27 | 0 | 0 | 0 | 112.7 | ||
| 220 | R | 71.9 | Confident | 79.4 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | trans | -89.1 | 130.2 | -179.1 | -66.9 | -179 | 172.3 | 155.3 | -7.1 | 111.7 | Q213 A214 S218 E336 F343 D383 N385 | Q213-R220 WeakPolarHBondContact CA-O 3.45Å; A214-R220 HydrophobicContact CB-CB 4.22Å; A214-R220 PolarHBondContact N-O 3.17Å; S218-R220 PolarHBondContact O-N 3.4Å; S218-R220 WeakPolarHBondContact OG-CB 3.2Å; S218-R220 PolarHBondContact OG-N 2.78Å; S218-R220 VanDerWaalsContact OG-N 3.13Å; R220-E336 IonicContact CZ-OE1 3.25Å; R220-E336 IonicContact CZ-OE2 2.68Å; R220-E336 IonicContact NH1-OE1 3.5Å; R220-E336 PolarHBondContact NH1-OE1 3.2Å; R220-E336 IonicContact NH1-OE2 3.81Å; R220-E336 PolarHBondContact NH1-OE2 3Å; R220-E336 VanDerWaalsContact NH1-OE2 3.12Å; R220-E336 IonicContact NH2-OE1 3.02Å; R220-E336 PolarHBondContact NH2-OE1 3.27Å; R220-E336 IonicContact NH2-OE2 3.37Å; R220-E336 PolarHBondContact NH2-OE2 3.03Å; R220-F343 VanDerWaalsContact NH1-CB 3.33Å; R220-D383 WeakPolarHBondContact CD-OD2 3.45Å; R220-D383 VanDerWaalsContact CZ-CG 3.42Å; R220-D383 IonicContact CZ-OD1 3.59Å; R220-D383 VanDerWaalsContact CZ-OD1 3.25Å; R220-D383 IonicContact CZ-OD2 3.39Å; R220-D383 IonicContact NE-OD1 2.92Å; R220-D383 IonicContact NE-OD2 3.12Å; R220-D383 PolarHBondContact NE-OD2 2.8Å; R220-D383 IonicContact NH1-OD1 2.84Å; R220-D383 IonicContact NH1-OD2 3.36Å; R220-D383 PolarHBondContact NH1-OD2 2.82Å; R220-D383 IonicContact NH2-OD1 2.83Å; R220-D383 PolarHBondContact NH2-OD1 3.3Å; R220-D383 IonicContact NH2-OD2 3.46Å; R220-D383 PolarHBondContact NH2-OD2 2.68Å; R220-N385 PolarHBondContact NE-OD1 3.14Å; R220-N385 PolarHBondContact NH2-O 3.49Å; R220-N385 PolarHBondContact NH2-OD1 3.02Å | ||
| 221 | W | 83.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | 178.4 | -67.8 | 83 | 0 | 0 | 0 | 110.6 | W20 I118 C119 V134 V211 C212 Q213 | W20-W221 HydrophobicContact CH2-CB 3.62Å; W20-W221 AromaticContact CH2-CD1 3.62Å; W20-W221 HydrophobicContact CH2-CD2 4.07Å; W20-W221 AromaticContact CH2-CG 3.47Å; W20-W221 HydrophobicContact CH2-CG 3.47Å; W20-W221 VanDerWaalsContact CH2-CG 3.47Å; W20-W221 HydrophobicContact CZ2-CB 4.17Å; W20-W221 HydrophobicContact CZ2-CD2 4.43Å; W20-W221 HydrophobicContact CZ2-CG 4.16Å; W20-W221 HydrophobicContact CZ3-CB 3.96Å; W20-W221 HydrophobicContact CZ3-CG 4.14Å; I118-W221 HydrophobicContact CD1-CB 3.64Å; I118-W221 WeakPolarHBondContact CD1-O 3.35Å; C119-W221 VanDerWaalsContact CB-O 3.22Å; C119-W221 WeakPolarHBondContact CB-O 3.35Å; C119-W221 PolarHBondContact N-O 2.88Å; C119-W221 PolarHBondContact SG-O 2.88Å; C119-W221 VanDerWaalsContact SG-O 3.4Å; V134-W221 HydrophobicContact CB-CZ3 4.29Å; V134-W221 HydrophobicContact CG2-CH2 3.93Å; V134-W221 HydrophobicContact CG2-CZ3 3.9Å; V211-W221 HydrophobicContact CB-CE3 4.03Å; V211-W221 HydrophobicContact CG2-CE3 3.69Å; V211-W221 HydrophobicContact CG2-CZ3 4.04Å; C212-W221 WeakPolarHBondContact O-CA 3.37Å; Q213-W221 HydrophobicContact CG-CD2 4.1Å; Q213-W221 HydrophobicContact CG-CE3 4.19Å; Q213-W221 HydrophobicContact CG-CH2 3.89Å; Q213-W221 HydrophobicContact CG-CZ2 3.76Å; Q213-W221 HydrophobicContact CG-CZ3 4.09Å |
| 222 | I | 86.6 | Confident | 77 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.6 | 177.7 | 54.4 | 171.2 | 0 | 0 | 0 | 110.2 | C119 P121 F125 V211 C212 A214 L224 | C119-I222 HydrophobicContact CB-CB 4.38Å; C119-I222 HydrophobicContact CB-CG2 3.61Å; C119-I222 CarbonylContact O-C 3.44Å; C119-I222 VanDerWaalsContact O-CA 3.28Å; C119-I222 WeakPolarHBondContact O-CA 3.11Å; P121-I222 HydrophobicContact CB-CD1 4.44Å; F125-I222 HydrophobicContact CD1-CD1 3.8Å; F125-I222 HydrophobicContact CE1-CD1 3.36Å; F125-I222 HydrophobicContact CE2-CD1 4.41Å; F125-I222 HydrophobicContact CG-CD1 4.49Å; F125-I222 HydrophobicContact CZ-CD1 3.72Å; V211-I222 CarbonylContact C-O 3.54Å; V211-I222 VanDerWaalsContact CA-O 3.22Å; V211-I222 WeakPolarHBondContact CA-O 3.41Å; C212-I222 PolarHBondContact N-O 3.18Å; C212-I222 VanDerWaalsContact O-CG1 3.3Å; C212-I222 WeakPolarHBondContact O-CG1 3.44Å; C212-I222 PolarHBondContact O-N 3.11Å; A214-I222 HydrophobicContact CB-CG2 4.22Å; I222-L224 HydrophobicContact CD1-CD2 3.61Å; I222-L224 HydrophobicContact CD1-CG 4.18Å; I222-L224 HydrophobicContact CG1-CD2 4.16Å; I222-L224 HydrophobicContact CG1-CG 4.34Å |
| 223 | V | 91.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 111.4 | 171.2 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | L43 I118 C119 L120 P121 P209 G225 V257 | L43-V223 HydrophobicContact CD2-CG1 4.09Å; L43-V223 HydrophobicContact CD2-CG2 4.32Å; I118-V223 HydrophobicContact CG1-CB 3.89Å; I118-V223 HydrophobicContact CG1-CG1 4.3Å; I118-V223 HydrophobicContact CG2-CB 4.07Å; I118-V223 HydrophobicContact CG2-CG1 3.83Å; C119-V223 PolarHBondContact O-N 2.8Å; L120-V223 HydrophobicContact CD2-CG1 3.82Å; P121-V223 WeakPolarHBondContact CD-O 3.27Å; P209-V223 HydrophobicContact CB-CB 4.37Å; P209-V223 HydrophobicContact CB-CG2 3.61Å; V223-G225 WeakPolarHBondContact CG2-O 3.3Å; V223-V257 HydrophobicContact CG1-CG1 4.38Å; V223-V257 HydrophobicContact CG2-CG2 4.18Å |
| 224 | L | 90.8 | Very high | 75.3 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -28.2 | 177 | -68.3 | -169 | 0 | 0 | 0 | 112.6 | P121 I127 L158 L190 L210 C212 I222 V257 | P121-L224 HydrophobicContact CB-CD2 3.94Å; P121-L224 HydrophobicContact CG-CD2 4.19Å; I127-L224 HydrophobicContact CD1-CD1 3.69Å; I127-L224 HydrophobicContact CD1-CD2 4.22Å; I127-L224 HydrophobicContact CG1-CD1 3.83Å; I127-L224 HydrophobicContact CG1-CD2 4.38Å; I127-L224 HydrophobicContact CG2-CD1 3.96Å; L158-L224 HydrophobicContact CD1-CD1 4.15Å; L190-L224 HydrophobicContact CD2-CB 4.11Å; L210-L224 PolarHBondContact O-N 2.89Å; C212-L224 HydrophobicContact CB-CD1 3.99Å; C212-L224 HydrophobicContact CB-CG 4.32Å; C212-L224 WeakPolarHBondContact SG-CD1 3.33Å; I222-L224 HydrophobicContact CD1-CD2 3.61Å; I222-L224 HydrophobicContact CD1-CG 4.18Å; I222-L224 HydrophobicContact CG1-CD2 4.16Å; I222-L224 HydrophobicContact CG1-CG 4.34Å; L224-V257 PolarHBondContact O-N 2.85Å; L224-V257 VanDerWaalsContact O-N 3.09Å |
| 225 | G | 92.8 | Very high | 75.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L210 V223 T255 | L210-G225 PolarHBondContact N-O 2.86Å; L210-G225 PolarHBondContact O-N 3.46Å; V223-G225 WeakPolarHBondContact CG2-O 3.3Å; G225-T255 CarbonylContact C-O 3.54Å; G225-T255 VanDerWaalsContact CA-O 3.23Å; G225-T255 WeakPolarHBondContact CA-O 3.32Å |
| 226 | I | 95.2 | Very high | 76.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.9 | 169 | -53.1 | 170 | 0 | 0 | 0 | 107.2 | L43 A45 I100 S228 F254 T255 V257 | L43-I226 HydrophobicContact CD1-CD1 3.68Å; L43-I226 HydrophobicContact CD2-CD1 3.95Å; L43-I226 HydrophobicContact CD2-CG1 4.02Å; L43-I226 HydrophobicContact CG-CD1 3.72Å; L43-I226 HydrophobicContact CG-CG1 4.15Å; A45-I226 HydrophobicContact CB-CG2 4.03Å; I100-I226 HydrophobicContact CB-CD1 4.08Å; I100-I226 HydrophobicContact CD1-CD1 3.76Å; I100-I226 HydrophobicContact CG1-CD1 3.55Å; I226-S228 PolarHBondContact O-N 3.08Å; I226-S228 VanDerWaalsContact O-N 3.17Å; I226-F254 CarbonylContact O-C 3.58Å; I226-F254 WeakPolarHBondContact O-CA 3.28Å; I226-F254 WeakPolarHBondContact O-CB 3.41Å; I226-T255 PolarHBondContact N-O 2.74Å; I226-T255 PolarHBondContact O-N 3.46Å; I226-V257 HydrophobicContact CD1-CG2 4.14Å; I226-V257 HydrophobicContact CG1-CG2 3.73Å |
| 227 | T | 92.6 | Very high | 77.5 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 119.8 | -179.4 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | A201 D205 G207 G208 F254 | A201-T227 HydrophobicContact CB-CG2 3.86Å; D205-T227 HydrophobicContact CB-CG2 4.23Å; D205-T227 WeakPolarHBondContact O-CB 3.24Å; D205-T227 PolarHBondContact O-OG1 2.97Å; G207-T227 PolarHBondContact N-O 3.13Å; G208-T227 WeakPolarHBondContact O-CB 3.47Å; G208-T227 PolarHBondContact O-N 3.15Å; G208-T227 PolarHBondContact O-OG1 3.46Å; T227-F254 HydrophobicContact CG2-CE1 4.33Å; T227-F254 WeakPolarHBondContact OG1-CE1 3.39Å |
| 228 | S | 87.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -71 | -172.5 | -179 | 0 | 0 | 0 | 0 | 111.5 | H47 D99 I226 I253 | H47-S228 PolarHBondContact CE1-O 3.4Å; D99-S228 VanDerWaalsContact OD2-CB 3.31Å; D99-S228 WeakPolarHBondContact OD2-CB 3.3Å; D99-S228 PolarHBondContact OD2-OG 3.25Å; I226-S228 PolarHBondContact O-N 3.08Å; I226-S228 VanDerWaalsContact O-N 3.17Å; S228-I253 WeakPolarHBondContact CB-O 3.12Å; S228-I253 PolarHBondContact N-O 3.12Å |
| 229 | W | 80.2 | Confident | 78.2 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 178.5 | -179.2 | 63.7 | -85.2 | 0 | 0 | 0 | 113 | P95 I171 I253 | P95-W229 HydrophobicContact CB-CZ2 3.82Å; I171-W229 HydrophobicContact CG2-CH2 4.19Å; I171-W229 HydrophobicContact CG2-CZ3 4.28Å; W229-I253 HydrophobicContact CD2-CB 4.32Å; W229-I253 HydrophobicContact CD2-CD1 3.9Å; W229-I253 HydrophobicContact CD2-CG2 4.37Å; W229-I253 HydrophobicContact CE3-CD1 3.84Å; W229-I253 HydrophobicContact CG-CB 4.48Å; W229-I253 HydrophobicContact CG-CG2 4.44Å; W229-I253 HydrophobicContact CH2-CD1 3.28Å; W229-I253 HydrophobicContact CZ2-CD1 3.33Å; W229-I253 HydrophobicContact CZ2-CG2 4.3Å; W229-I253 HydrophobicContact CZ3-CD1 3.55Å; W229-I253 PolarHBondContact N-O 3.12Å; W229-I253 WeakPolarHBondContact O-CA 3.31Å; W229-I253 VanDerWaalsContact O-CB 3.23Å; W229-I253 WeakPolarHBondContact O-CB 2.8Å; W229-I253 PolarHBondContact O-N 3.05Å |
| 230 | G | 70.8 | Confident | 77.6 | Confident | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 18% | 0.179 | S | C | . | . | trans | -171.8 | 152.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G232 | G230-G232 PolarHBondContact O-N 3.34Š| ||
| 231 | Q | 69.8 | Low | 76.8 | Confident | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -85.5 | 91.5 | 173.7 | -174.1 | 170.6 | -28.5 | 0 | 0 | 110 | K248 G249 S250 | Q231-K248 PolarHBondContact NE2-O 2.61Å; Q231-K248 VanDerWaalsContact NE2-O 3.1Å; Q231-G249 VanDerWaalsContact O-CA 3.28Å; Q231-G249 WeakPolarHBondContact O-CA 3.36Å; Q231-S250 PolarHBondContact N-OG 2.69Å; Q231-S250 PolarHBondContact O-N 2.77Å |
| 232 | G | 65.7 | Low | 75.5 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 72.2 | -177.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G230 | G230-G232 PolarHBondContact O-N 3.34Š|
| 233 | C | 69.8 | Low | 74.3 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 12% | 0.122 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -122 | 117.9 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | V8 C202 R235 | V8-C233 HydrophobicContact CG2-CB 4Å; C202-C233 WeakPolarHBondContact CA-SG 3.35Å; C202-C233 HydrophobicContact CB-CB 3.69Å; C202-C233 WeakPolarHBondContact CB-SG 3.36Å; C202-C233 WeakPolarHBondContact SG-CB 3.28Å; C202-C233 CovalentContact SG-SG 2.04Å; C202-C233 PolarHBondContact SG-SG 3.42Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 3.46Å |
| 234 | G | 65.9 | Low | 72.6 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 67.3 | 27.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G197 G198 D200 | G197-G234 WeakPolarHBondContact CA-O 3.28Å; G198-G234 PolarHBondContact N-O 2.9Å; D200-G234 PolarHBondContact OD2-N 3.09Å |
| 235 | R | 77.6 | Confident | 71.1 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | trans | -81 | 146 | 172.7 | -69.8 | -179.6 | -178.2 | -169.5 | 1.5 | 110 | E143 C233 G249 | E143-R235 IonicContact OE1-CZ 2.69Å; E143-R235 IonicContact OE1-NE 2.84Å; E143-R235 IonicContact OE1-NH2 3.52Å; E143-R235 PolarHBondContact OE1-NH2 2.85Å; E143-R235 IonicContact OE2-CZ 3.34Å; E143-R235 VanDerWaalsContact OE2-CZ 3.27Å; E143-R235 IonicContact OE2-NE 3.62Å; E143-R235 PolarHBondContact OE2-NE 2.87Å; E143-R235 IonicContact OE2-NH2 2.66Å; E143-R235 PolarHBondContact OE2-NH2 2.89Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 3.46Å; R235-G249 VanDerWaalsContact CB-CA 3.42Å | ||
| 236 | S | 77.9 | Confident | 69.4 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | trans | -68 | 134.4 | 175.2 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | E195 S241 R243 G249 | E195-S236 WeakPolarHBondContact O-CA 3.02Å; S236-S241 PolarHBondContact O-OG 3.05Å; S236-S241 PolarHBondContact OG-OG 3.18Å; S236-S241 VanDerWaalsContact OG-OG 3.07Å; S236-R243 PolarHBondContact OG-NE 3.09Å; S236-G249 PolarHBondContact O-N 3.41Å | ||
| 237 | W | 74.9 | Confident | 67.9 | Low | 19 Ų | 19 | 66.3 Ų | 66.3 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | trans | -130.7 | -4.8 | -172.3 | 62.2 | -95.9 | 0 | 0 | 0 | 114.3 | V159 K163 V167 A194 E195 G249 S250 P251 | V159-W237 HydrophobicContact CG1-CH2 3.74Å; V159-W237 HydrophobicContact CG1-CZ2 4.39Å; V159-W237 HydrophobicContact CG2-CH2 3.92Å; V159-W237 HydrophobicContact CG2-CZ2 3.71Å; K163-W237 HydrophobicContact CD-CH2 4.38Å; K163-W237 HydrophobicContact CD-CZ3 4.48Å; K163-W237 HydrophobicContact CG-CZ3 4.41Å; V167-W237 HydrophobicContact CG1-CE3 4.33Å; V167-W237 HydrophobicContact CG2-CE3 3.66Å; V167-W237 HydrophobicContact CG2-CZ3 3.51Å; A194-W237 PolarHBondContact O-NE1 2.86Å; E195-W237 HydrophobicContact CB-CZ2 4.47Å; E195-W237 HydrophobicContact CG-CD2 4.38Å; E195-W237 HydrophobicContact CG-CE3 4.35Å; E195-W237 HydrophobicContact CG-CH2 3.64Å; E195-W237 HydrophobicContact CG-CZ2 3.66Å; E195-W237 HydrophobicContact CG-CZ3 3.99Å; E195-W237 PolarHBondContact O-N 3.17Å; W237-G249 VanDerWaalsContact CB-O 3.31Å; W237-G249 WeakPolarHBondContact CB-O 3.38Å; W237-S250 VanDerWaalsContact CD1-C 3.48Å; W237-P251 HydrophobicContact CD2-CB 4.27Å; W237-P251 HydrophobicContact CD2-CG 4.21Å; W237-P251 HydrophobicContact CE3-CG 4.48Å; W237-P251 HydrophobicContact CH2-CG 4.48Å; W237-P251 HydrophobicContact CZ2-CB 3.83Å; W237-P251 HydrophobicContact CZ2-CG 4.19Å | ||
| 238 | G | 68.1 | Low | 66.8 | Low | 11 Ų | 11 | 70.2 Ų | 70.2 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -61.2 | 156.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E195 K240 S241 | E195-G238 PolarHBondContact O-N 2.99Å; G238-K240 PolarHBondContact O-N 3.36Å; G238-K240 VanDerWaalsContact O-N 3.07Å; G238-S241 WeakPolarHBondContact O-CB 3.46Å; G238-S241 PolarHBondContact O-N 3.32Å |
| 239 | M | 63.1 | Low | 66.2 | Low | 145 Ų | 145 | 70.3 Ų | 70.3 | 71% | 0.714 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.5 | -178.3 | -73.7 | 174.1 | 123.5 | 0 | 0 | 113.7 | Y166 S241 | Y166-M239 HydrophobicContact CE1-CE 3.63Å; Y166-M239 WeakPolarHBondContact OH-CE 3.47Å; M239-S241 VanDerWaalsContact C-N 3.32Å |
| 240 | K | 52.9 | Low | 66 | Low | 202 Ų | 202 | 68 Ų | 68 | 88% | 0.878 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 10.3 | 177.2 | -62.5 | -176.3 | 178.3 | -179.9 | 0 | 114.1 | G238 N242 | G238-K240 PolarHBondContact O-N 3.36Å; G238-K240 VanDerWaalsContact O-N 3.07Å; K240-N242 PolarHBondContact O-N 3.49Å; K240-N242 VanDerWaalsContact O-N 3.12Å |
| 241 | S | 56.5 | Low | 66.7 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | trans | -72.2 | 104.1 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | S236 G238 M239 R243 | S236-S241 PolarHBondContact O-OG 3.05Å; S236-S241 PolarHBondContact OG-OG 3.18Å; S236-S241 VanDerWaalsContact OG-OG 3.07Å; G238-S241 WeakPolarHBondContact O-CB 3.46Å; G238-S241 PolarHBondContact O-N 3.32Å; M239-S241 VanDerWaalsContact C-N 3.32Å; S241-R243 PolarHBondContact O-N 3.35Å | ||
| 242 | N | 55.8 | Low | 67.4 | Low | 172 Ų | 172 | 64.1 Ų | 64.1 | 92% | 0.92 | 33% | 0.329 | S | S | * | . | trans | -69 | 15.7 | 175.7 | -79.8 | -5.6 | 0 | 0 | 0 | 114.2 | K240 | K240-N242 PolarHBondContact O-N 3.49Å; K240-N242 VanDerWaalsContact O-N 3.12Å | ||
| 243 | R | 60.1 | Low | 68.5 | Low | 121 Ų | 121 | 63.5 Ų | 63.5 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -81 | 140.1 | 179 | -66.9 | -167.9 | 178.5 | -170.7 | 2.6 | 110.6 | S236 S241 K247 K248 | S236-R243 PolarHBondContact OG-NE 3.09Å; S241-R243 PolarHBondContact O-N 3.35Å; R243-K247 HydrophobicContact CB-CB 4.36Å; R243-K248 HydrophobicContact CB-CG 4.38Å; R243-K248 VanDerWaalsContact O-CE 3.31Å; R243-K248 WeakPolarHBondContact O-CE 3.12Å |
| 244 | H | 56.8 | Low | 69.5 | Low | 126 Ų | 126 | 62.7 Ų | 62.7 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | trans | -48.7 | 142.9 | 170.7 | -168.7 | -89.9 | 0 | 0 | 0 | 110.6 | S246 K247 K248 | H244-S246 PolarHBondContact ND1-OG 2.61Å; H244-S246 PolarHBondContact O-N 3.08Å; H244-S246 VanDerWaalsContact O-N 3.07Å; H244-K247 CarbonylContact O-C 3.57Å; H244-K247 WeakPolarHBondContact O-CA 3.1Å; H244-K247 PolarHBondContact O-N 3.31Å; H244-K248 PolarHBondContact O-N 2.75Å | ||
| 245 | P | 58.3 | Low | 70.7 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 58% | 0.578 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -48.8 | -39.1 | -175.8 | -30.8 | 35.2 | 0 | 0 | 0 | 114.9 | K247 K248 | P245-K247 VanDerWaalsContact C-N 3.26Å; P245-K247 PolarHBondContact O-N 2.97Å; P245-K248 PolarHBondContact O-N 3.35Å |
| 246 | S | 58 | Low | 71.3 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -70.4 | -13.5 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | H244 | H244-S246 PolarHBondContact ND1-OG 2.61Å; H244-S246 PolarHBondContact O-N 3.08Å; H244-S246 VanDerWaalsContact O-N 3.07Å |
| 247 | K | 62.5 | Low | 71.9 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -111.2 | 1.8 | 178.2 | -64.7 | -172.4 | -179.6 | 179.3 | 0 | 113.1 | R243 H244 P245 | R243-K247 HydrophobicContact CB-CB 4.36Å; H244-K247 CarbonylContact O-C 3.57Å; H244-K247 WeakPolarHBondContact O-CA 3.1Å; H244-K247 PolarHBondContact O-N 3.31Å; P245-K247 VanDerWaalsContact C-N 3.26Å; P245-K247 PolarHBondContact O-N 2.97Å |
| 248 | K | 70.1 | Confident | 72.4 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | trans | -69.1 | 143.2 | 171.6 | -74.6 | -173.4 | 177.1 | -178.3 | 0 | 110.1 | Q231 R243 H244 P245 | Q231-K248 PolarHBondContact NE2-O 2.61Å; Q231-K248 VanDerWaalsContact NE2-O 3.1Å; R243-K248 HydrophobicContact CB-CG 4.38Å; R243-K248 VanDerWaalsContact O-CE 3.31Å; R243-K248 WeakPolarHBondContact O-CE 3.12Å; H244-K248 PolarHBondContact O-N 2.75Å; P245-K248 PolarHBondContact O-N 3.35Å | ||
| 249 | G | 75.6 | Confident | 73.1 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | trans | -99.1 | -175.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q231 R235 S236 W237 | Q231-G249 VanDerWaalsContact O-CA 3.28Å; Q231-G249 WeakPolarHBondContact O-CA 3.36Å; R235-G249 VanDerWaalsContact CB-CA 3.42Å; S236-G249 PolarHBondContact O-N 3.41Å; W237-G249 VanDerWaalsContact CB-O 3.31Å; W237-G249 WeakPolarHBondContact CB-O 3.38Å | ||
| 250 | S | 76.4 | Confident | 74.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | trans | -123.6 | 166.6 | 161.4 | 71.1 | 0 | 0 | 0 | 0 | 109.5 | I171 Q231 W237 | I171-S250 VanDerWaalsContact CD1-CB 3.45Å; Q231-S250 PolarHBondContact N-OG 2.69Å; Q231-S250 PolarHBondContact O-N 2.77Å; W237-S250 VanDerWaalsContact CD1-C 3.48Å | ||
| 251 | P | 84 | Confident | 75.7 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | trans | -61.5 | 165.1 | 155.7 | 28.6 | -32.7 | 0 | 0 | 0 | 109.8 | V159 V167 C191 W237 I253 | V159-P251 HydrophobicContact CG2-CB 4.36Å; V167-P251 HydrophobicContact CG1-CG 4.45Å; C191-P251 HydrophobicContact CB-CB 4.21Å; C191-P251 HydrophobicContact CB-CG 3.94Å; W237-P251 HydrophobicContact CD2-CB 4.27Å; W237-P251 HydrophobicContact CD2-CG 4.21Å; W237-P251 HydrophobicContact CE3-CG 4.48Å; W237-P251 HydrophobicContact CH2-CG 4.48Å; W237-P251 HydrophobicContact CZ2-CB 3.83Å; W237-P251 HydrophobicContact CZ2-CG 4.19Å; P251-I253 PolarHBondContact O-N 3.41Å | ||
| 252 | G | 85.7 | Confident | 76.8 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | C191 A192 D200 F254 | C191-G252 WeakPolarHBondContact CA-O 3.31Å; A192-G252 PolarHBondContact N-O 3.22Å; A192-G252 PolarHBondContact O-N 3.13Å; D200-G252 VanDerWaalsContact OD1-CA 3.31Å; D200-G252 WeakPolarHBondContact OD1-CA 3.17Å; D200-G252 PolarHBondContact OD1-N 3.14Å; G252-F254 WeakPolarHBondContact O-CD2 3.33Å; G252-F254 WeakPolarHBondContact O-CE2 3.24Å |
| 253 | I | 87.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.6 | -177.9 | -66.6 | 170.3 | 0 | 0 | 0 | 109.3 | I189 S228 W229 P251 | I189-I253 HydrophobicContact CG2-CG2 3.41Å; I189-I253 VanDerWaalsContact CG2-CG2 3.41Å; S228-I253 WeakPolarHBondContact CB-O 3.12Å; S228-I253 PolarHBondContact N-O 3.12Å; W229-I253 HydrophobicContact CD2-CB 4.32Å; W229-I253 HydrophobicContact CD2-CD1 3.9Å; W229-I253 HydrophobicContact CD2-CG2 4.37Å; W229-I253 HydrophobicContact CE3-CD1 3.84Å; W229-I253 HydrophobicContact CG-CB 4.48Å; W229-I253 HydrophobicContact CG-CG2 4.44Å; W229-I253 HydrophobicContact CH2-CD1 3.28Å; W229-I253 HydrophobicContact CZ2-CD1 3.33Å; W229-I253 HydrophobicContact CZ2-CG2 4.3Å; W229-I253 HydrophobicContact CZ3-CD1 3.55Å; W229-I253 PolarHBondContact N-O 3.12Å; W229-I253 WeakPolarHBondContact O-CA 3.31Å; W229-I253 VanDerWaalsContact O-CB 3.23Å; W229-I253 WeakPolarHBondContact O-CB 2.8Å; W229-I253 PolarHBondContact O-N 3.05Å; P251-I253 PolarHBondContact O-N 3.41Å |
| 254 | F | 90.9 | Very high | 79.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147.7 | -176 | -57.4 | -97 | 0 | 0 | 0 | 110 | V135 L156 I189 L190 A192 A201 L210 I226 T227 G252 D256 | V135-F254 HydrophobicContact CG2-CE1 3.76Å; V135-F254 HydrophobicContact CG2-CZ 3.85Å; L156-F254 HydrophobicContact CD1-CE2 4.31Å; L156-F254 HydrophobicContact CD1-CZ 3.84Å; I189-F254 WeakPolarHBondContact CA-O 3.42Å; L190-F254 HydrophobicContact CB-CB 4.3Å; L190-F254 PolarHBondContact N-O 3.29Å; L190-F254 PolarHBondContact O-N 3.11Å; A192-F254 HydrophobicContact CB-CD2 4.18Å; A192-F254 HydrophobicContact CB-CE2 3.71Å; A201-F254 HydrophobicContact CB-CZ 4.25Å; L210-F254 HydrophobicContact CB-CD1 3.64Å; L210-F254 HydrophobicContact CB-CE1 3.76Å; L210-F254 HydrophobicContact CB-CG 4.32Å; L210-F254 HydrophobicContact CD1-CE1 4.3Å; L210-F254 HydrophobicContact CD1-CZ 4.28Å; L210-F254 HydrophobicContact CD2-CD1 4.07Å; L210-F254 HydrophobicContact CD2-CD2 4.01Å; L210-F254 HydrophobicContact CD2-CE1 4.3Å; L210-F254 HydrophobicContact CD2-CE2 4.25Å; L210-F254 HydrophobicContact CD2-CG 3.94Å; L210-F254 HydrophobicContact CD2-CZ 4.39Å; L210-F254 HydrophobicContact CG-CD1 4.37Å; L210-F254 HydrophobicContact CG-CE1 4.35Å; I226-F254 CarbonylContact O-C 3.58Å; I226-F254 WeakPolarHBondContact O-CA 3.28Å; I226-F254 WeakPolarHBondContact O-CB 3.41Å; T227-F254 HydrophobicContact CG2-CE1 4.33Å; T227-F254 WeakPolarHBondContact OG1-CE1 3.39Å; G252-F254 WeakPolarHBondContact O-CD2 3.33Å; G252-F254 WeakPolarHBondContact O-CE2 3.24Å; F254-D256 PolarHBondContact O-N 3.07Å |
| 255 | T | 91.8 | Very high | 80.2 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.9 | 168 | -55.5 | 0 | 0 | 0 | 0 | 108.8 | D99 I100 T188 G225 I226 V257 L260 | D99-T255 WeakPolarHBondContact O-CB 3.35Å; D99-T255 PolarHBondContact O-OG1 2.94Å; I100-T255 HydrophobicContact CB-CG2 4.39Å; T188-T255 WeakPolarHBondContact O-CA 3.41Å; G225-T255 CarbonylContact C-O 3.54Å; G225-T255 VanDerWaalsContact CA-O 3.23Å; G225-T255 WeakPolarHBondContact CA-O 3.32Å; I226-T255 PolarHBondContact N-O 2.74Å; I226-T255 PolarHBondContact O-N 3.46Å; T255-V257 PolarHBondContact O-N 2.82Å; T255-V257 VanDerWaalsContact O-N 3.15Å; T255-L260 HydrophobicContact CG2-CD1 3.34Å |
| 256 | D | 90.1 | Very high | 81 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 105 | -179.3 | -172.9 | -20.5 | 0 | 0 | 0 | 110.4 | T188 L190 F254 K258 L259 | T188-D256 PolarHBondContact O-N 3.15Å; L190-D256 HydrophobicContact CB-CB 4.07Å; F254-D256 PolarHBondContact O-N 3.07Å; D256-K258 PolarHBondContact O-N 2.87Å; D256-K258 WeakPolarHBondContact OD1-CB 3.45Å; D256-K258 PolarHBondContact OD1-N 2.91Å; D256-L259 HydrophobicContact CB-CB 4.42Å; D256-L259 HydrophobicContact CB-CD1 4.04Å; D256-L259 HydrophobicContact CB-CG 4.22Å; D256-L259 PolarHBondContact O-N 3.32Å |
| 257 | V | 90.8 | Very high | 82 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -34.7 | -178.6 | 173 | 0 | 0 | 0 | 0 | 111 | L43 L120 P121 V223 L224 I226 T255 L259 L260 L261 I264 | L43-V257 HydrophobicContact CD2-CG2 4.21Å; L120-V257 HydrophobicContact CD2-CG1 3.77Å; P121-V257 HydrophobicContact CG-CG1 4.28Å; V223-V257 HydrophobicContact CG1-CG1 4.38Å; V223-V257 HydrophobicContact CG2-CG2 4.18Å; L224-V257 PolarHBondContact O-N 2.85Å; L224-V257 VanDerWaalsContact O-N 3.09Å; I226-V257 HydrophobicContact CD1-CG2 4.14Å; I226-V257 HydrophobicContact CG1-CG2 3.73Å; T255-V257 PolarHBondContact O-N 2.82Å; T255-V257 VanDerWaalsContact O-N 3.15Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.32Å; V257-L260 CarbonylContact O-C 3.4Å; V257-L260 PolarHBondContact O-N 2.77Å; V257-L261 HydrophobicContact CG1-CD2 4.25Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.03Å; V257-I264 HydrophobicContact CG1-CD1 3.86Å |
| 258 | K | 84.6 | Confident | 82.6 | Confident | 61 Ų | 61 | 26.5 Ų | 26.5 | 27% | 0.265 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.9 | -41 | -177.3 | -171.4 | -177.6 | 177 | 179.7 | 0 | 111.4 | P121 P123 F125 D256 L260 L261 | P121-K258 HydrophobicContact CG-CB 4.3Å; P123-K258 WeakPolarHBondContact O-CE 3.31Å; P123-K258 PolarHBondContact O-NZ 3.08Å; F125-K258 PolarHBondContact O-NZ 2.98Å; D256-K258 PolarHBondContact O-N 2.87Å; D256-K258 WeakPolarHBondContact OD1-CB 3.45Å; D256-K258 PolarHBondContact OD1-N 2.91Å; K258-L260 VanDerWaalsContact C-N 3.26Å; K258-L260 PolarHBondContact O-N 3.22Å; K258-L261 HydrophobicContact CG-CD1 4.32Å; K258-L261 WeakPolarHBondContact O-CG 3.48Å |
| 259 | L | 83.6 | Confident | 82.1 | Confident | 91 Ų | 91 | 26.7 Ų | 26.7 | 48% | 0.476 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -69.9 | -23.8 | 177.8 | -66.5 | 178.4 | 0 | 0 | 0 | 112.9 | D256 V257 | D256-L259 HydrophobicContact CB-CB 4.42Å; D256-L259 HydrophobicContact CB-CD1 4.04Å; D256-L259 HydrophobicContact CB-CG 4.22Å; D256-L259 PolarHBondContact O-N 3.32Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.32Å |
| 260 | L | 87.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -104.5 | 3.4 | -176.7 | -59.2 | -179.3 | 0 | 0 | 0 | 113.5 | Y98 I100 T188 T255 V257 K258 P262 W263 I264 | Y98-L260 HydrophobicContact CD1-CD2 3.64Å; Y98-L260 HydrophobicContact CE1-CD2 3.9Å; I100-L260 HydrophobicContact CB-CD1 4.08Å; I100-L260 HydrophobicContact CD1-CB 4.13Å; I100-L260 HydrophobicContact CD1-CD1 4.13Å; I100-L260 HydrophobicContact CG2-CD1 3.69Å; T188-L260 HydrophobicContact CG2-CD2 3.78Å; T188-L260 HydrophobicContact CG2-CG 4.34Å; T255-L260 HydrophobicContact CG2-CD1 3.34Å; V257-L260 CarbonylContact O-C 3.4Å; V257-L260 PolarHBondContact O-N 2.77Å; K258-L260 VanDerWaalsContact C-N 3.26Å; K258-L260 PolarHBondContact O-N 3.22Å; L260-P262 VanDerWaalsContact C-CD 3.41Å; L260-P262 VanDerWaalsContact C-N 3.32Å; L260-W263 WeakPolarHBondContact O-CB 3.34Å; L260-W263 PolarHBondContact O-N 3.2Å; L260-I264 WeakPolarHBondContact O-CG1 3.35Å; L260-I264 PolarHBondContact O-N 3.13Å |
| 261 | L | 82.5 | Confident | 80.5 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -50 | -44.7 | 173.8 | -72.6 | 171.4 | 0 | 0 | 0 | 113.3 | L120 P121 V257 K258 W263 I264 K265 | L120-L261 HydrophobicContact CB-CD2 3.88Å; L120-L261 HydrophobicContact CD1-CD2 4.21Å; L120-L261 HydrophobicContact CD2-CD2 4.27Å; L120-L261 HydrophobicContact CG-CD2 4.36Å; P121-L261 HydrophobicContact CG-CD1 4.26Å; P121-L261 HydrophobicContact CG-CD2 4.3Å; P121-L261 WeakPolarHBondContact O-CD1 3.42Å; V257-L261 HydrophobicContact CG1-CD2 4.25Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.03Å; K258-L261 HydrophobicContact CG-CD1 4.32Å; K258-L261 WeakPolarHBondContact O-CG 3.48Å; L261-W263 VanDerWaalsContact C-N 3.28Å; L261-W263 PolarHBondContact O-N 3.36Å; L261-I264 PolarHBondContact O-N 3.18Å; L261-K265 HydrophobicContact CB-CD 4.47Å; L261-K265 VanDerWaalsContact O-CB 3.25Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 WeakPolarHBondContact O-CD 3.46Å; L261-K265 WeakPolarHBondContact O-CG 3.46Å; L261-K265 PolarHBondContact O-N 2.96Å |
| 262 | P | 79.2 | Confident | 78.9 | Confident | 86 Ų | 86 | 33.7 Ų | 33.7 | 56% | 0.558 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -59.4 | -40.5 | 178.8 | -24.1 | 35.7 | 0 | 0 | 0 | 112.4 | L260 Q266 | L260-P262 VanDerWaalsContact C-CD 3.41Å; L260-P262 VanDerWaalsContact C-N 3.32Å; P262-Q266 VanDerWaalsContact O-CB 3.25Å; P262-Q266 WeakPolarHBondContact O-CB 3.38Å; P262-Q266 PolarHBondContact O-N 2.98Å |
| 263 | W | 84.9 | Confident | 76.7 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -48.5 | 179.5 | 178.9 | 88.7 | 0 | 0 | 0 | 112 | H87 E88 I100 L102 L260 L261 K265 Q266 K267 | H87-W263 HydrophobicContact CB-CD2 4.4Å; H87-W263 HydrophobicContact CB-CH2 4.26Å; H87-W263 HydrophobicContact CB-CZ2 3.77Å; H87-W263 AromaticContact CD2-CD1 3.4Å; H87-W263 VanDerWaalsContact CD2-CD1 3.4Å; H87-W263 AromaticContact CD2-CD2 3.38Å; H87-W263 AromaticContact CD2-CE2 3.54Å; H87-W263 AromaticContact CD2-CG 3.33Å; H87-W263 AromaticContact CD2-NE1 3.49Å; H87-W263 PolarHBondContact CD2-NE1 2.87Å; H87-W263 AromaticContact CG-CE2 3.84Å; H87-W263 AromaticContact CG-NE1 3.77Å; H87-W263 AromaticContact NE2-CD1 3.5Å; H87-W263 AromaticContact NE2-CG 3.62Å; H87-W263 AromaticContact NE2-NE1 3.97Å; E88-W263 PolarHBondContact OE2-NE1 2.98Å; I100-W263 HydrophobicContact CB-CZ3 4.42Å; I100-W263 HydrophobicContact CD1-CE3 4Å; I100-W263 HydrophobicContact CD1-CZ3 3.85Å; I100-W263 HydrophobicContact CG1-CE3 4.38Å; I100-W263 HydrophobicContact CG1-CZ3 3.79Å; I100-W263 HydrophobicContact CG2-CE3 4Å; I100-W263 HydrophobicContact CG2-CH2 4.22Å; I100-W263 HydrophobicContact CG2-CZ3 3.78Å; L102-W263 HydrophobicContact CD1-CH2 4.49Å; L102-W263 HydrophobicContact CD1-CZ3 4.19Å; L102-W263 HydrophobicContact CG-CH2 4.2Å; L102-W263 HydrophobicContact CG-CZ3 3.96Å; L260-W263 WeakPolarHBondContact O-CB 3.34Å; L260-W263 PolarHBondContact O-N 3.2Å; L261-W263 VanDerWaalsContact C-N 3.28Å; L261-W263 PolarHBondContact O-N 3.36Å; W263-K265 VanDerWaalsContact C-N 3.26Å; W263-K265 PolarHBondContact O-N 3.43Å; W263-Q266 PolarHBondContact O-N 3.5Å; W263-Q266 VanDerWaalsContact O-N 3.09Å; W263-K267 HydrophobicContact CD2-CG 4.02Å; W263-K267 HydrophobicContact CG-CG 4.5Å; W263-K267 HydrophobicContact CH2-CG 4.25Å; W263-K267 HydrophobicContact CZ2-CG 3.69Å; W263-K267 PolarHBondContact O-N 3.36Å |
| 264 | I | 84.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54 | -49.9 | 177 | -65.1 | 167.9 | 0 | 0 | 0 | 109.4 | L37 L43 I100 L102 L120 V257 L260 L261 Q266 K267 M268 | L37-I264 HydrophobicContact CD1-CG2 4.01Å; L43-I264 HydrophobicContact CD1-CD1 4.21Å; I100-I264 HydrophobicContact CD1-CD1 3.66Å; I100-I264 HydrophobicContact CD1-CG1 3.58Å; L102-I264 HydrophobicContact CD1-CG2 4.4Å; L102-I264 HydrophobicContact CD2-CG2 4.35Å; L120-I264 HydrophobicContact CD1-CG2 4.07Å; L120-I264 HydrophobicContact CD2-CD1 4.37Å; V257-I264 HydrophobicContact CG1-CD1 3.86Å; L260-I264 WeakPolarHBondContact O-CG1 3.35Å; L260-I264 PolarHBondContact O-N 3.13Å; L261-I264 PolarHBondContact O-N 3.18Å; I264-Q266 PolarHBondContact O-N 2.91Å; I264-K267 PolarHBondContact O-N 3.14Å; I264-M268 HydrophobicContact CG2-SD 3.9Å; I264-M268 VanDerWaalsContact O-CG 3.31Å; I264-M268 WeakPolarHBondContact O-CG 3.49Å; I264-M268 PolarHBondContact O-N 2.94Å; I264-M268 VanDerWaalsContact O-N 3.08Å |
| 265 | K | 74.1 | Confident | 72.3 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | -179.5 | -70.6 | 167.4 | 161 | -160.2 | 0 | 111.7 | L261 W263 R269 L283 L313 | L261-K265 HydrophobicContact CB-CD 4.47Å; L261-K265 VanDerWaalsContact O-CB 3.25Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 WeakPolarHBondContact O-CD 3.46Å; L261-K265 WeakPolarHBondContact O-CG 3.46Å; L261-K265 PolarHBondContact O-N 2.96Å; W263-K265 VanDerWaalsContact C-N 3.26Å; W263-K265 PolarHBondContact O-N 3.43Å; K265-R269 WeakPolarHBondContact O-CG 3.28Å; K265-R269 PolarHBondContact O-N 2.99Å; K265-L283 HydrophobicContact CB-CD1 4.2Å; K265-L313 HydrophobicContact CB-CD2 4.44Å; K265-L313 HydrophobicContact CD-CD2 3.44Å; K265-L313 VanDerWaalsContact CD-CD2 3.44Å; K265-L313 HydrophobicContact CG-CD2 4.13Å |
| 266 | Q | 75.9 | Confident | 69.5 | Low | 82 Ų | 82 | 57.7 Ų | 57.7 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 176.2 | 178.7 | 178.9 | -20.7 | 0 | 0 | 112.4 | P262 W263 I264 M268 R269 E270 | P262-Q266 VanDerWaalsContact O-CB 3.25Å; P262-Q266 WeakPolarHBondContact O-CB 3.38Å; P262-Q266 PolarHBondContact O-N 2.98Å; W263-Q266 PolarHBondContact O-N 3.5Å; W263-Q266 VanDerWaalsContact O-N 3.09Å; I264-Q266 PolarHBondContact O-N 2.91Å; Q266-M268 PolarHBondContact O-N 2.73Å; Q266-R269 VanDerWaalsContact CA-NH2 3.29Å; Q266-R269 WeakPolarHBondContact O-CA 3.4Å; Q266-R269 WeakPolarHBondContact O-CB 3.3Å; Q266-R269 PolarHBondContact O-N 3.13Å; Q266-E270 HydrophobicContact CG-CG 4.42Å; Q266-E270 VanDerWaalsContact CG-OE1 3.29Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.3Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 PolarHBondContact O-N 3.45Å |
| 267 | K | 79.4 | Confident | 67 | Low | 23 Ų | 23 | 60.5 Ų | 60.5 | 10% | 0.1 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | -179.5 | -71.3 | -50.1 | -177.4 | -172.1 | 0 | 113.2 | L85 E88 L102 W263 I264 R269 E270 A271 | L85-K267 HydrophobicContact CD1-CB 3.82Å; L85-K267 HydrophobicContact CD1-CD 4.34Å; L85-K267 HydrophobicContact CD1-CG 4.35Å; E88-K267 WeakPolarHBondContact OE1-CE 3.37Å; E88-K267 IonicContact OE1-NZ 3.75Å; E88-K267 PolarHBondContact OE1-NZ 2.94Å; L102-K267 HydrophobicContact CD1-CB 3.76Å; W263-K267 HydrophobicContact CD2-CG 4.02Å; W263-K267 HydrophobicContact CG-CG 4.5Å; W263-K267 HydrophobicContact CH2-CG 4.25Å; W263-K267 HydrophobicContact CZ2-CG 3.69Å; W263-K267 PolarHBondContact O-N 3.36Å; I264-K267 PolarHBondContact O-N 3.14Å; K267-R269 PolarHBondContact O-N 2.84Å; K267-E270 VanDerWaalsContact CD-OE2 3.3Å; K267-E270 WeakPolarHBondContact CD-OE2 3.45Å; K267-E270 IonicContact NZ-OE2 3.37Å; K267-E270 PolarHBondContact NZ-OE2 2.99Å; K267-E270 PolarHBondContact O-N 2.89Å; K267-A271 PolarHBondContact O-N 3.42Å; K267-A271 VanDerWaalsContact O-N 3.08Å |
| 268 | M | 74 | Confident | 64 | Low | 29 Ų | 29 | 66.2 Ų | 66.2 | 14% | 0.143 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -27.3 | 173.3 | -68.7 | 176.9 | 68.7 | 0 | 0 | 112.8 | L37 T38 W41 L102 I264 Q266 L283 | L37-M268 HydrophobicContact CD1-SD 4.15Å; T38-M268 HydrophobicContact CG2-CE 3.5Å; W41-M268 HydrophobicContact CB-CE 4.45Å; W41-M268 HydrophobicContact CG-CE 4.37Å; W41-M268 HydrophobicContact CG-CG 4.45Å; L102-M268 HydrophobicContact CD1-CG 4.02Å; I264-M268 HydrophobicContact CG2-SD 3.9Å; I264-M268 VanDerWaalsContact O-CG 3.31Å; I264-M268 WeakPolarHBondContact O-CG 3.49Å; I264-M268 PolarHBondContact O-N 2.94Å; I264-M268 VanDerWaalsContact O-N 3.08Å; Q266-M268 PolarHBondContact O-N 2.73Å; M268-L283 HydrophobicContact CB-CD2 4.42Å |
| 269 | R | 60.5 | Low | 61.8 | Low | 95 Ų | 95 | 68.9 Ų | 68.9 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73 | -51 | 170.3 | -70.8 | -178.3 | -67.3 | -102.2 | 5.6 | 112 | K265 Q266 K267 A271 S272 L283 | K265-R269 WeakPolarHBondContact O-CG 3.28Å; K265-R269 PolarHBondContact O-N 2.99Å; Q266-R269 VanDerWaalsContact CA-NH2 3.29Å; Q266-R269 WeakPolarHBondContact O-CA 3.4Å; Q266-R269 WeakPolarHBondContact O-CB 3.3Å; Q266-R269 PolarHBondContact O-N 3.13Å; K267-R269 PolarHBondContact O-N 2.84Å; R269-A271 VanDerWaalsContact C-N 3.31Å; R269-A271 PolarHBondContact O-N 2.96Å; R269-S272 WeakPolarHBondContact O-CB 3.13Å; R269-S272 PolarHBondContact O-N 3.45Å; R269-L283 HydrophobicContact CG-CD1 3.31Å; R269-L283 HydrophobicContact CG-CG 3.82Å |
| 270 | E | 60.2 | Low | 59.7 | Low | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | -175.8 | -73.3 | 172.2 | -173.7 | 0 | 0 | 112.5 | Q266 K267 S272 T273 | Q266-E270 HydrophobicContact CG-CG 4.42Å; Q266-E270 VanDerWaalsContact CG-OE1 3.29Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.3Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 PolarHBondContact O-N 3.45Å; K267-E270 VanDerWaalsContact CD-OE2 3.3Å; K267-E270 WeakPolarHBondContact CD-OE2 3.45Å; K267-E270 IonicContact NZ-OE2 3.37Å; K267-E270 PolarHBondContact NZ-OE2 2.99Å; K267-E270 PolarHBondContact O-N 2.89Å; E270-S272 PolarHBondContact O-N 2.9Å; E270-T273 VanDerWaalsContact C-OG1 3.29Å; E270-T273 WeakPolarHBondContact CA-OG1 3.4Å; E270-T273 PolarHBondContact O-N 3.36Å; E270-T273 PolarHBondContact O-OG1 3.32Å |
| 271 | A | 58.1 | Low | 57.3 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 22% | 0.223 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | W41 L85 K267 R269 | W41-A271 HydrophobicContact CH2-CB 3.45Å; W41-A271 VanDerWaalsContact CH2-CB 3.45Å; W41-A271 HydrophobicContact CZ2-CB 3.26Å; L85-A271 HydrophobicContact CD1-CB 4.48Å; K267-A271 PolarHBondContact O-N 3.42Å; K267-A271 VanDerWaalsContact O-N 3.08Å; R269-A271 VanDerWaalsContact C-N 3.31Å; R269-A271 PolarHBondContact O-N 2.96Å |
| 272 | S | 49.4 | Very low | 55.3 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.5 | 172.4 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | R269 E270 | R269-S272 WeakPolarHBondContact O-CB 3.13Å; R269-S272 PolarHBondContact O-N 3.45Å; E270-S272 PolarHBondContact O-N 2.9Å |
| 273 | T | 40.8 | Very low | 54 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -90.3 | -8.3 | -176.2 | 26.1 | 0 | 0 | 0 | 0 | 115.5 | E270 L275 | E270-T273 VanDerWaalsContact C-OG1 3.29Å; E270-T273 WeakPolarHBondContact CA-OG1 3.4Å; E270-T273 PolarHBondContact O-N 3.36Å; E270-T273 PolarHBondContact O-OG1 3.32Å; T273-L275 PolarHBondContact O-N 3.04Å; T273-L275 VanDerWaalsContact O-N 3.15Å |
| 274 | D | 44.2 | Very low | 53.1 | Low | 150 Ų | 150 | 70.8 Ų | 70.8 | 80% | 0.802 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -74.9 | 5.4 | 176.5 | -78.8 | -26.4 | 0 | 0 | 0 | 113.9 | ||
| 275 | L | 42.4 | Very low | 52.1 | Low | 148 Ų | 148 | 74.4 Ų | 74.4 | 78% | 0.775 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -105.9 | 79.9 | 168.8 | -73.3 | 154.8 | 0 | 0 | 0 | 109.3 | T273 | T273-L275 PolarHBondContact O-N 3.04Å; T273-L275 VanDerWaalsContact O-N 3.15Å |
| 276 | V | 33.2 | Very low | 52 | Low | 130 Ų | 130 | 73.6 Ų | 73.6 | 79% | 0.788 | 44% | 0.443 | S | S | * | . | trans | 59.8 | 96.5 | 161.9 | -168.5 | 0 | 0 | 0 | 0 | 116.6 | V278 | V276-V278 PolarHBondContact O-N 3.02Š| ||
| 277 | G | 36.2 | Very low | 52 | Low | 78 Ų | 78 | 74.2 Ų | 74.2 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | S | Bend | 52.5 | 33.3 | 121.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||
| 278 | V | 28.8 | Very low | 51.6 | Low | 121 Ų | 121 | 74.4 Ų | 74.4 | 73% | 0.733 | 45% | 0.454 | S | S | * | . | trans | -143.1 | 125 | 165.7 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | V276 I280 | V276-V278 PolarHBondContact O-N 3.02Å; V278-I280 PolarHBondContact O-N 3.1Å | ||
| 279 | C | 38.3 | Very low | 51.4 | Low | 116 Ų | 116 | 73.9 Ų | 73.9 | 78% | 0.784 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -61 | 133.8 | 167.7 | -80 | 0 | 0 | 0 | 0 | 108.9 | ||
| 280 | I | 39.4 | Very low | 52.2 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | trans | 101 | 97.9 | 163.9 | -40.6 | 149.8 | 0 | 0 | 0 | 115.8 | V278 T287 D288 | V278-I280 PolarHBondContact O-N 3.1Å; I280-T287 HydrophobicContact CB-CG2 4.02Å; I280-T287 HydrophobicContact CD1-CG2 3.79Å; I280-T287 HydrophobicContact CG1-CG2 4.32Å; I280-T287 HydrophobicContact CG2-CG2 3.3Å; I280-D288 WeakPolarHBondContact CG2-O 3.39Å | ||
| 281 | S | 36.4 | Very low | 53.2 | Low | 79 Ų | 79 | 73.1 Ų | 73.1 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | trans | -164.5 | 95.3 | 133.1 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 282 | G | 42.1 | Very low | 53.6 | Low | 26 Ų | 26 | 77 Ų | 77 | 27% | 0.268 | 50% | 0.496 | S | S | . | . | trans | -79 | -156.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C284 | G282-C284 PolarHBondContact O-N 2.63Å; G282-C284 VanDerWaalsContact O-O 3.14Å | ||
| 283 | L | 51.7 | Low | 54.9 | Low | 37 Ų | 37 | 79 Ų | 79 | 19% | 0.194 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -60.8 | 10 | 173.3 | -68.9 | 126.8 | 0 | 0 | 0 | 114.2 | K265 M268 R269 L313 | K265-L283 HydrophobicContact CB-CD1 4.2Å; M268-L283 HydrophobicContact CB-CD2 4.42Å; R269-L283 HydrophobicContact CG-CD1 3.31Å; R269-L283 HydrophobicContact CG-CG 3.82Å; L283-L313 HydrophobicContact CB-CB 4.15Å; L283-L313 HydrophobicContact CD1-CB 4.48Å; L283-L313 HydrophobicContact CD1-CD2 4.27Å; L283-L313 PolarHBondContact O-N 2.82Å |
| 284 | C | 65.9 | Low | 56.6 | Low | 6 Ų | 6 | 77.7 Ų | 77.7 | 4% | 0.041 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -125.7 | 140.7 | 174.2 | -85 | 0 | 0 | 0 | 0 | 109.5 | G282 V286 C314 | G282-C284 PolarHBondContact O-N 2.63Å; G282-C284 VanDerWaalsContact O-O 3.14Å; C284-V286 HydrophobicContact CB-CG2 4.02Å; C284-V286 PolarHBondContact O-N 2.67Å; C284-C314 HydrophobicContact CB-CB 3.85Å; C284-C314 WeakPolarHBondContact CB-SG 3.22Å; C284-C314 WeakPolarHBondContact SG-CA 3.4Å; C284-C314 WeakPolarHBondContact SG-CB 3.29Å; C284-C314 PolarHBondContact SG-N 2.74Å; C284-C314 CovalentContact SG-SG 1.99Å; C284-C314 PolarHBondContact SG-SG 2.84Å |
| 285 | S | 63.3 | Low | 58.8 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 54% | 0.538 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -64.6 | -6.2 | 171.8 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | D309 Q312 | S285-D309 WeakPolarHBondContact CB-OD2 3.19Å; S285-D309 PolarHBondContact OG-OD2 3.28Å; S285-Q312 PolarHBondContact OG-NE2 2.91Å |
| 286 | V | 70.9 | Confident | 61.2 | Low | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.048 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -112 | 150.1 | 174.7 | -57 | 0 | 0 | 0 | 0 | 111 | C284 D288 N300 A302 W316 | C284-V286 HydrophobicContact CB-CG2 4.02Å; C284-V286 PolarHBondContact O-N 2.67Å; V286-D288 PolarHBondContact O-N 3.48Å; V286-N300 WeakPolarHBondContact CG1-OD1 3.09Å; V286-N300 HydrophobicContact CG2-CB 3.99Å; V286-N300 WeakPolarHBondContact CG2-OD1 3.39Å; V286-A302 HydrophobicContact CG1-CB 3.74Å; V286-W316 HydrophobicContact CG2-CH2 4.37Å; V286-W316 HydrophobicContact CG2-CZ2 3.75Å |
| 287 | T | 77.5 | Confident | 64 | Low | 95 Ų | 95 | 68.4 Ų | 68.4 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | trans | -57.4 | 115.9 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | I280 W316 | I280-T287 HydrophobicContact CB-CG2 4.02Å; I280-T287 HydrophobicContact CD1-CG2 3.79Å; I280-T287 HydrophobicContact CG1-CG2 4.32Å; I280-T287 HydrophobicContact CG2-CG2 3.3Å; T287-W316 PolarHBondContact O-NE1 3.17Å | ||
| 288 | D | 71.1 | Confident | 66.7 | Low | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.15 | 41% | 0.407 | C | S | . | . | trans | -122.5 | 162.3 | 176.2 | 77.6 | -42.2 | 0 | 0 | 0 | 111.4 | I280 V286 C314 L315 | I280-D288 WeakPolarHBondContact CG2-O 3.39Å; V286-D288 PolarHBondContact O-N 3.48Å; D288-C314 HydrophobicContact CB-CB 4.28Å; D288-L315 PolarHBondContact OD2-N 3.1Å; D288-L315 VanDerWaalsContact OD2-N 3.1Å | ||
| 289 | G | 68.7 | Low | 69.7 | Low | 18 Ų | 18 | 63.6 Ų | 63.6 | 19% | 0.186 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130 | -162.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L315 W316 S317 | G289-L315 WeakPolarHBondContact CA-O 3.48Å; G289-L315 PolarHBondContact N-O 2.89Å; G289-W316 WeakPolarHBondContact O-CA 3.25Å; G289-S317 PolarHBondContact O-N 2.89Å |
| 290 | P | 76.9 | Confident | 72.2 | Confident | 122 Ų | 122 | 58 Ų | 58 | 79% | 0.792 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 136.1 | 175.4 | -18 | 31.3 | 0 | 0 | 0 | 111.5 | S317 | P290-S317 WeakPolarHBondContact CA-O 3.41Å |
| 291 | V | 81.7 | Confident | 74.5 | Confident | 33 Ų | 33 | 54 Ų | 54 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.6 | 174.8 | -156.1 | 0 | 0 | 0 | 0 | 108.8 | I298 W316 S317 I318 Y395 | V291-I298 HydrophobicContact CG2-CD1 4.31Å; V291-W316 HydrophobicContact CG2-CB 4.24Å; V291-S317 PolarHBondContact N-O 3.02Å; V291-I318 HydrophobicContact CG2-CG1 4.41Å; V291-Y395 HydrophobicContact CG1-CE1 3.9Å; V291-Y395 WeakPolarHBondContact CG1-OH 3.45Å |
| 292 | S | 66.8 | Low | 76.7 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 77% | 0.769 | 33% | 0.325 | S | S | * | . | trans | -87.1 | -19.5 | -166.8 | 47.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 293 | D | 76.1 | Confident | 78.4 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -91.1 | 152.7 | -170.4 | -57 | -39.8 | 0 | 0 | 0 | 112 | E295 Y395 | D293-E295 WeakPolarHBondContact CB-O 3.33Å; D293-E295 PolarHBondContact O-N 2.97Å; D293-Y395 VanDerWaalsContact O-CE2 3.29Å; D293-Y395 WeakPolarHBondContact O-CE2 3.37Å; D293-Y395 PolarHBondContact O-OH 2.92Å |
| 294 | S | 77.8 | Confident | 79.5 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -71 | -17.1 | 175.6 | 52 | 0 | 0 | 0 | 0 | 113.8 | R396 G397 | S294-R396 CarbonylContact O-C 3.47Å; S294-G397 PolarHBondContact O-N 2.97Å |
| 295 | E | 90.3 | Very high | 79.9 | Confident | 121 Ų | 121 | 66.3 Ų | 66.3 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156 | 171.2 | 58.5 | 176.9 | -170 | 0 | 0 | 109.7 | D293 Y395 R396 | D293-E295 WeakPolarHBondContact CB-O 3.33Å; D293-E295 PolarHBondContact O-N 2.97Å; E295-Y395 VanDerWaalsContact C-CE2 3.49Å; E295-Y395 CarbonylContact C-O 3.55Å; E295-Y395 WeakPolarHBondContact CA-O 3.29Å; E295-Y395 WeakPolarHBondContact CB-O 3Å; E295-Y395 PolarHBondContact O-OH 3.43Å; E295-R396 HydrophobicContact CB-CB 4.39Å; E295-R396 HydrophobicContact CB-CG 3.81Å |
| 296 | G | 91.8 | Very high | 81 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -175.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R394 Y395 | G296-R394 CarbonylContact O-C 3.6Å; G296-R394 WeakPolarHBondContact O-CA 3.35Å; G296-Y395 VanDerWaalsContact CA-CZ 3.49Å; G296-Y395 VanDerWaalsContact N-CZ 3.31Å; G296-Y395 PolarHBondContact N-O 3.08Å; G296-Y395 WeakPolarHBondContact O-CD1 3.28Å; G296-Y395 PolarHBondContact O-N 3.03Å |
| 297 | L | 92.3 | Very high | 81.6 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.6 | -177.1 | -176.9 | 66.3 | 0 | 0 | 0 | 109.7 | R299 A392 R394 | L297-R299 HydrophobicContact CD1-CG 4.43Å; L297-R299 HydrophobicContact CD2-CG 4Å; L297-R299 HydrophobicContact CG-CG 3.81Å; L297-A392 HydrophobicContact CD1-CB 4.3Å; L297-R394 HydrophobicContact CD1-CB 4.13Å |
| 298 | I | 92.8 | Very high | 82 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.2 | 173 | -65.2 | 165 | 0 | 0 | 0 | 107.7 | V291 W316 I318 L378 F391 A392 V393 Y395 | V291-I298 HydrophobicContact CG2-CD1 4.31Å; I298-W316 HydrophobicContact CD1-CB 3.74Å; I298-W316 HydrophobicContact CD1-CG 3.94Å; I298-W316 HydrophobicContact CG1-CG 4.28Å; I298-W316 HydrophobicContact CG2-CD2 3.48Å; I298-W316 VanDerWaalsContact CG2-CD2 3.48Å; I298-W316 VanDerWaalsContact CG2-CE2 3.45Å; I298-W316 HydrophobicContact CG2-CE3 3.92Å; I298-W316 HydrophobicContact CG2-CG 3.83Å; I298-W316 HydrophobicContact CG2-CH2 4.2Å; I298-W316 HydrophobicContact CG2-CZ2 3.82Å; I298-W316 HydrophobicContact CG2-CZ3 4.25Å; I298-I318 HydrophobicContact CD1-CD1 3.78Å; I298-I318 HydrophobicContact CD1-CG1 4.05Å; I298-L378 HydrophobicContact CD1-CD2 4.04Å; I298-F391 HydrophobicContact CG2-CE2 4.34Å; I298-A392 CarbonylContact O-C 3.56Å; I298-A392 WeakPolarHBondContact O-CA 3.4Å; I298-V393 PolarHBondContact N-O 3.04Å; I298-V393 PolarHBondContact O-N 3.09Å; I298-Y395 HydrophobicContact CD1-CD1 3.94Å; I298-Y395 HydrophobicContact CD1-CE1 4.24Å; I298-Y395 HydrophobicContact CG1-CD1 4.09Å; I298-Y395 HydrophobicContact CG1-CE1 4.12Å |
| 299 | R | 91.7 | Very high | 82.3 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.6 | 176.7 | -54.6 | -176.5 | 71.2 | -177.8 | 0.5 | 110.4 | L297 P301 F391 A392 | L297-R299 HydrophobicContact CD1-CG 4.43Å; L297-R299 HydrophobicContact CD2-CG 4Å; L297-R299 HydrophobicContact CG-CG 3.81Å; R299-P301 CarbonylContact C-O 3.45Å; R299-F391 WeakPolarHBondContact CA-O 3.38Å; R299-A392 HydrophobicContact CG-CB 3.98Å |
| 300 | N | 90.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 119.9 | 166.4 | -177.7 | 35.9 | 0 | 0 | 0 | 108.3 | V286 Q312 W316 F380 G390 F391 | V286-N300 WeakPolarHBondContact CG1-OD1 3.09Å; V286-N300 HydrophobicContact CG2-CB 3.99Å; V286-N300 WeakPolarHBondContact CG2-OD1 3.39Å; N300-Q312 PolarHBondContact ND2-OE1 2.85Å; N300-Q312 PolarHBondContact OD1-OE1 2.79Å; N300-W316 HydrophobicContact CB-CH2 3.85Å; N300-W316 HydrophobicContact CB-CZ2 4.29Å; N300-F380 WeakPolarHBondContact ND2-CD1 3.46Å; N300-F380 WeakPolarHBondContact ND2-CE1 3.44Å; N300-G390 CarbonylContact O-C 3.56Å; N300-G390 WeakPolarHBondContact O-CA 3.41Å; N300-F391 HydrophobicContact CB-CE1 4Å; N300-F391 HydrophobicContact CB-CE2 4.14Å; N300-F391 HydrophobicContact CB-CZ 3.72Å; N300-F391 PolarHBondContact N-O 2.86Å; N300-F391 PolarHBondContact O-N 3.17Å |
| 301 | P | 88.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.071 | 37% | 0.374 | C | S | . | . | S | Bend | cis | -69.1 | 170.2 | -2.3 | 29.9 | -33.7 | 0 | 0 | 0 | 113.5 | R299 F303 T306 R389 | R299-P301 CarbonylContact C-O 3.45Å; P301-F303 VanDerWaalsContact C-N 3.31Å; P301-F303 PolarHBondContact O-N 2.87Å; P301-T306 VanDerWaalsContact CB-OG1 3.3Å; P301-T306 WeakPolarHBondContact CB-OG1 3.4Å; P301-T306 VanDerWaalsContact CG-O 3.27Å; P301-T306 WeakPolarHBondContact CG-O 3.34Å; P301-T306 WeakPolarHBondContact CG-OG1 3.47Å; P301-R389 VanDerWaalsContact CD-O 3.27Å; P301-R389 WeakPolarHBondContact CD-O 3.4Å |
| 302 | A | 81.6 | Confident | 81.1 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -66.3 | -34.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V286 | V286-A302 HydrophobicContact CG1-CB 3.74Š|
| 303 | F | 77.9 | Confident | 81.4 | Confident | 151 Ų | 151 | 63.5 Ų | 63.5 | 66% | 0.662 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -97.7 | 141.3 | -179.5 | -60.9 | -74.3 | 0 | 0 | 0 | 111.1 | P301 T306 | P301-F303 VanDerWaalsContact C-N 3.31Å; P301-F303 PolarHBondContact O-N 2.87Å; F303-T306 HydrophobicContact CB-CG2 4.15Å; F303-T306 PolarHBondContact O-OG1 2.66Å |
| 304 | P | 74.5 | Confident | 81.8 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 149.7 | 167.4 | -10.4 | 19.7 | 0 | 0 | 0 | 111.2 | T306 | P304-T306 PolarHBondContact O-N 2.92Å; P304-T306 VanDerWaalsContact O-N 3.13Å |
| 305 | D | 75.9 | Confident | 82.1 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 10 | 172.7 | -53.6 | -48 | 0 | 0 | 0 | 117 | ||
| 306 | T | 84.4 | Confident | 82 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -95 | 166.7 | 167.1 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | P301 F303 P304 R389 | P301-T306 VanDerWaalsContact CB-OG1 3.3Å; P301-T306 WeakPolarHBondContact CB-OG1 3.4Å; P301-T306 VanDerWaalsContact CG-O 3.27Å; P301-T306 WeakPolarHBondContact CG-O 3.34Å; P301-T306 WeakPolarHBondContact CG-OG1 3.47Å; F303-T306 HydrophobicContact CB-CG2 4.15Å; F303-T306 PolarHBondContact O-OG1 2.66Å; P304-T306 PolarHBondContact O-N 2.92Å; P304-T306 VanDerWaalsContact O-N 3.13Å; T306-R389 WeakPolarHBondContact O-CA 3.38Å |
| 307 | Y | 84.4 | Confident | 81.8 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -98 | 146.2 | 174.3 | -69.1 | -101.8 | 0 | 0 | 0 | 109.8 | A387 G388 R389 | Y307-A387 VanDerWaalsContact CD1-O 3.31Å; Y307-A387 WeakPolarHBondContact CD1-O 3.4Å; Y307-G388 VanDerWaalsContact CA-O 3.25Å; Y307-G388 WeakPolarHBondContact CA-O 3.34Å; Y307-G388 VanDerWaalsContact CD1-C 3.46Å; Y307-G388 WeakPolarHBondContact CD1-O 3.48Å; Y307-R389 HydrophobicContact CE1-CG 4.41Å |
| 308 | Y | 86 | Confident | 81.7 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 159.4 | 170.3 | 58.7 | -100.8 | 0 | 0 | 0 | 110.8 | E336 D344 F380 A387 G388 G390 | Y308-E336 PolarHBondContact OH-N 3.49Å; Y308-D344 WeakPolarHBondContact CE2-OD2 3.37Å; Y308-D344 PolarHBondContact OH-OD2 3.03Å; Y308-F380 AromaticContact CD1-CZ 3.98Å; Y308-F380 HydrophobicContact CD1-CZ 3.98Å; Y308-F380 AromaticContact CD2-CE1 3.9Å; Y308-F380 HydrophobicContact CD2-CE1 3.9Å; Y308-F380 AromaticContact CD2-CZ 3.67Å; Y308-F380 HydrophobicContact CD2-CZ 3.67Å; Y308-F380 HydrophobicContact CE1-CZ 4Å; Y308-F380 HydrophobicContact CE2-CE1 4.35Å; Y308-F380 AromaticContact CE2-CZ 3.71Å; Y308-F380 HydrophobicContact CE2-CZ 3.71Å; Y308-F380 HydrophobicContact CG-CE1 4.01Å; Y308-F380 AromaticContact CG-CZ 3.81Å; Y308-F380 HydrophobicContact CG-CZ 3.81Å; Y308-F380 AromaticContact CZ-CZ 3.87Å; Y308-A387 HydrophobicContact CD2-CB 3.84Å; Y308-A387 HydrophobicContact CE2-CB 3.71Å; Y308-A387 HydrophobicContact CG-CB 4.37Å; Y308-A387 WeakPolarHBondContact O-CB 3.37Å; Y308-G388 WeakPolarHBondContact CD1-O 3.32Å; Y308-G388 WeakPolarHBondContact CE1-O 3.21Å; Y308-G388 PolarHBondContact N-O 2.79Å; Y308-G388 PolarHBondContact OH-N 2.95Å; Y308-G390 VanDerWaalsContact CD1-CA 3.5Å |
| 309 | D | 76.9 | Confident | 81.4 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 157 | 178.2 | -51.8 | -61.2 | 0 | 0 | 0 | 112.1 | S285 Q312 S382 | S285-D309 WeakPolarHBondContact CB-OD2 3.19Å; S285-D309 PolarHBondContact OG-OD2 3.28Å; D309-Q312 HydrophobicContact CB-CG 3.84Å; D309-Q312 VanDerWaalsContact O-CG 3.24Å; D309-Q312 WeakPolarHBondContact O-CG 3.13Å; D309-Q312 PolarHBondContact OD2-NE2 2.92Å; D309-S382 PolarHBondContact O-OG 2.98Å |
| 310 | N | 66.9 | Low | 81.2 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 153.8 | 172 | -65.2 | -36.6 | 0 | 0 | 0 | 111.1 | Q312 D383 I384 N385 | N310-Q312 PolarHBondContact O-N 3.08Å; N310-D383 CarbonylContact C-O 3.35Å; N310-D383 WeakPolarHBondContact CA-O 3.3Å; N310-D383 WeakPolarHBondContact CB-O 3.18Å; N310-I384 WeakPolarHBondContact CB-O 3.41Å; N310-I384 PolarHBondContact ND2-O 2.94Å; N310-N385 WeakPolarHBondContact OD1-CA 3.2Å; N310-N385 PolarHBondContact OD1-N 3.11Å |
| 311 | N | 61.3 | Low | 80.9 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.3 | -176.5 | -62.6 | -43.1 | 0 | 0 | 0 | 114.8 | S382 D383 I384 | N311-S382 WeakPolarHBondContact CA-O 3.29Å; N311-S382 PolarHBondContact N-OG 3.08Å; N311-S382 VanDerWaalsContact N-OG 3.17Å; N311-D383 PolarHBondContact N-O 3.02Å; N311-I384 WeakPolarHBondContact ND2-CG2 3.39Å; N311-I384 VanDerWaalsContact OD1-CG2 3.28Å; N311-I384 WeakPolarHBondContact OD1-CG2 3.35Å |
| 312 | Q | 74.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.023 | 33% | 0.332 | C | S | . | . | trans | -68.2 | 146.4 | 175.8 | -82 | -172.1 | -6 | 0 | 0 | 110.8 | S285 N300 D309 N310 F380 S381 S382 | S285-Q312 PolarHBondContact OG-NE2 2.91Å; N300-Q312 PolarHBondContact ND2-OE1 2.85Å; N300-Q312 PolarHBondContact OD1-OE1 2.79Å; D309-Q312 HydrophobicContact CB-CG 3.84Å; D309-Q312 VanDerWaalsContact O-CG 3.24Å; D309-Q312 WeakPolarHBondContact O-CG 3.13Å; D309-Q312 PolarHBondContact OD2-NE2 2.92Å; N310-Q312 PolarHBondContact O-N 3.08Å; Q312-F380 HydrophobicContact CB-CD1 4.26Å; Q312-F380 HydrophobicContact CB-CE1 4.12Å; Q312-S381 VanDerWaalsContact O-CA 3.31Å; Q312-S381 WeakPolarHBondContact O-CA 3.33Å; Q312-S382 WeakPolarHBondContact CB-OG 3.22Å; Q312-S382 PolarHBondContact N-OG 2.98Å; Q312-S382 PolarHBondContact O-N 2.73Å | ||
| 313 | L | 73.4 | Confident | 80.7 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 94.4 | 167.9 | -171.7 | 79.7 | 0 | 0 | 0 | 109.3 | K265 L283 L379 F380 | K265-L313 HydrophobicContact CB-CD2 4.44Å; K265-L313 HydrophobicContact CD-CD2 3.44Å; K265-L313 VanDerWaalsContact CD-CD2 3.44Å; K265-L313 HydrophobicContact CG-CD2 4.13Å; L283-L313 HydrophobicContact CB-CB 4.15Å; L283-L313 HydrophobicContact CD1-CB 4.48Å; L283-L313 HydrophobicContact CD1-CD2 4.27Å; L283-L313 PolarHBondContact O-N 2.82Å; L313-L379 HydrophobicContact CD1-CD1 3.76Å; L313-L379 HydrophobicContact CD1-CG 4.49Å; L313-L379 HydrophobicContact CG-CD1 4.14Å; L313-F380 CarbonylContact C-O 3.57Å; L313-F380 VanDerWaalsContact CA-O 3.3Å; L313-F380 WeakPolarHBondContact CA-O 3.15Å |
| 314 | C | 83.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.2 | -179.2 | -38.8 | 0 | 0 | 0 | 0 | 109.2 | C284 D288 W316 L379 F380 | C284-C314 HydrophobicContact CB-CB 3.85Å; C284-C314 WeakPolarHBondContact CB-SG 3.22Å; C284-C314 WeakPolarHBondContact SG-CA 3.4Å; C284-C314 WeakPolarHBondContact SG-CB 3.29Å; C284-C314 PolarHBondContact SG-N 2.74Å; C284-C314 CovalentContact SG-SG 1.99Å; C284-C314 PolarHBondContact SG-SG 2.84Å; D288-C314 HydrophobicContact CB-CB 4.28Å; C314-W316 HydrophobicContact CB-CE3 4.09Å; C314-W316 HydrophobicContact CB-CH2 3.1Å; C314-W316 HydrophobicContact CB-CZ2 3.63Å; C314-W316 HydrophobicContact CB-CZ3 3.36Å; C314-W316 VanDerWaalsContact SG-CH2 3.58Å; C314-L379 WeakPolarHBondContact O-CA 3.16Å; C314-F380 HydrophobicContact CB-CB 4.14Å; C314-F380 PolarHBondContact N-O 3.19Å; C314-F380 PolarHBondContact O-N 2.94Å |
| 315 | L | 83.8 | Confident | 81.8 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.7 | 175.3 | -174 | 153.2 | 0 | 0 | 0 | 110.3 | D288 G289 S317 V377 L378 L379 | D288-L315 PolarHBondContact OD2-N 3.1Å; D288-L315 VanDerWaalsContact OD2-N 3.1Å; G289-L315 WeakPolarHBondContact CA-O 3.48Å; G289-L315 PolarHBondContact N-O 2.89Å; L315-S317 VanDerWaalsContact CD2-OG 3.28Å; L315-S317 WeakPolarHBondContact CD2-OG 3.39Å; L315-V377 HydrophobicContact CD1-CG1 4.26Å; L315-V377 HydrophobicContact CD2-CG1 4.36Å; L315-V377 HydrophobicContact CG-CG1 4.04Å; L315-L378 WeakPolarHBondContact CA-O 3.3Å; L315-L379 HydrophobicContact CB-CD1 4.34Å; L315-L379 HydrophobicContact CD1-CD1 4.42Å |
| 316 | W | 89 | Confident | 82.6 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.4 | 170.3 | -58.7 | -88.2 | 0 | 0 | 0 | 110.4 | V286 T287 G289 V291 I298 N300 C314 V377 L378 F380 F391 | V286-W316 HydrophobicContact CG2-CH2 4.37Å; V286-W316 HydrophobicContact CG2-CZ2 3.75Å; T287-W316 PolarHBondContact O-NE1 3.17Å; G289-W316 WeakPolarHBondContact O-CA 3.25Å; V291-W316 HydrophobicContact CG2-CB 4.24Å; I298-W316 HydrophobicContact CD1-CB 3.74Å; I298-W316 HydrophobicContact CD1-CG 3.94Å; I298-W316 HydrophobicContact CG1-CG 4.28Å; I298-W316 HydrophobicContact CG2-CD2 3.48Å; I298-W316 VanDerWaalsContact CG2-CD2 3.48Å; I298-W316 VanDerWaalsContact CG2-CE2 3.45Å; I298-W316 HydrophobicContact CG2-CE3 3.92Å; I298-W316 HydrophobicContact CG2-CG 3.83Å; I298-W316 HydrophobicContact CG2-CH2 4.2Å; I298-W316 HydrophobicContact CG2-CZ2 3.82Å; I298-W316 HydrophobicContact CG2-CZ3 4.25Å; N300-W316 HydrophobicContact CB-CH2 3.85Å; N300-W316 HydrophobicContact CB-CZ2 4.29Å; C314-W316 HydrophobicContact CB-CE3 4.09Å; C314-W316 HydrophobicContact CB-CH2 3.1Å; C314-W316 HydrophobicContact CB-CZ2 3.63Å; C314-W316 HydrophobicContact CB-CZ3 3.36Å; C314-W316 VanDerWaalsContact SG-CH2 3.58Å; W316-V377 WeakPolarHBondContact O-CA 3.47Å; W316-L378 HydrophobicContact CB-CB 4.35Å; W316-L378 HydrophobicContact CE3-CB 4Å; W316-L378 PolarHBondContact N-O 3.28Å; W316-L378 PolarHBondContact O-N 2.88Å; W316-F380 HydrophobicContact CH2-CB 4.47Å; W316-F380 HydrophobicContact CZ3-CB 4Å; W316-F391 HydrophobicContact CH2-CE2 4.09Å; W316-F391 AromaticContact CH2-CZ 3.69Å; W316-F391 HydrophobicContact CH2-CZ 3.69Å; W316-F391 HydrophobicContact CZ3-CE2 4.02Å; W316-F391 AromaticContact CZ3-CZ 3.63Å; W316-F391 HydrophobicContact CZ3-CZ 3.63Å |
| 317 | S | 87.4 | Confident | 83 | Confident | 43 Ų | 43 | 47 Ų | 47 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 110 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | G289 P290 V291 L315 | G289-S317 PolarHBondContact O-N 2.89Å; P290-S317 WeakPolarHBondContact CA-O 3.41Å; V291-S317 PolarHBondContact N-O 3.02Å; L315-S317 VanDerWaalsContact CD2-OG 3.28Å; L315-S317 WeakPolarHBondContact CD2-OG 3.39Å |
| 318 | I | 89.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.8 | -179.7 | -55.6 | 166.6 | 0 | 0 | 0 | 107.5 | V291 I298 I326 L328 N375 A376 L378 Y395 | V291-I318 HydrophobicContact CG2-CG1 4.41Å; I298-I318 HydrophobicContact CD1-CD1 3.78Å; I298-I318 HydrophobicContact CD1-CG1 4.05Å; I318-I326 HydrophobicContact CG2-CD1 4.15Å; I318-I326 HydrophobicContact CG2-CG2 4.47Å; I318-L328 HydrophobicContact CD1-CD2 3.8Å; I318-N375 WeakPolarHBondContact O-CA 3.35Å; I318-A376 HydrophobicContact CB-CB 4.12Å; I318-A376 HydrophobicContact CD1-CB 4.35Å; I318-A376 PolarHBondContact N-O 3.41Å; I318-A376 PolarHBondContact O-N 2.92Å; I318-L378 HydrophobicContact CD1-CD1 3.7Å; I318-Y395 HydrophobicContact CD1-CD1 4.09Å; I318-Y395 HydrophobicContact CD1-CD2 4.37Å; I318-Y395 HydrophobicContact CD1-CG 3.82Å; I318-Y395 HydrophobicContact CG1-CD1 4.49Å; I318-Y395 HydrophobicContact CG1-CG 4.35Å; I318-Y395 HydrophobicContact CG2-CD2 3.56Å; I318-Y395 HydrophobicContact CG2-CE2 3.94Å; I318-Y395 HydrophobicContact CG2-CG 4.12Å |
| 319 | K | 87.6 | Confident | 83.9 | Confident | 143 Ų | 143 | 41.8 Ų | 41.8 | 62% | 0.622 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.4 | 175.9 | -172 | 175.6 | -177.9 | -177.2 | 0 | 109.8 | Q374 | K319-Q374 CarbonylContact C-O 3.44Å; K319-Q374 WeakPolarHBondContact CA-O 3.48Å |
| 320 | A | 86.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -86.1 | 159.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H324 I326 Q374 | A320-H324 HydrophobicContact CB-CB 4.09Å; A320-I326 HydrophobicContact CB-CD1 4.06Å; A320-I326 HydrophobicContact CB-CG1 3.61Å; A320-Q374 PolarHBondContact N-O 3.43Å |
| 321 | H | 85.7 | Confident | 86.1 | Confident | 108 Ų | 108 | 39.3 Ų | 39.3 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 150.2 | 172 | -69.9 | 105.1 | 0 | 0 | 0 | 111.3 | G323 H324 | H321-G323 PolarHBondContact O-N 3.33Å; H321-H324 WeakPolarHBondContact O-CB 3.29Å; H321-H324 PolarHBondContact O-N 3.34Å; H321-H324 VanDerWaalsContact O-N 3.07Å; H321-H324 PolarHBondContact O-ND1 3.36Å |
| 322 | P | 84.6 | Confident | 87.7 | Confident | 104 Ų | 104 | 39.5 Ų | 39.5 | 68% | 0.675 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 136.3 | 173.4 | -26.9 | 34.3 | 0 | 0 | 0 | 112.4 | H324 | P322-H324 VanDerWaalsContact C-N 3.28Å; P322-H324 PolarHBondContact O-N 3.15Å; P322-H324 PolarHBondContact O-ND1 3.42Å |
| 323 | G | 81.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 64% | 0.639 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H321 | H321-G323 PolarHBondContact O-N 3.33Š|
| 324 | H | 86.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 39 Ų | 39 | 22% | 0.218 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 151.9 | 170.8 | -65.5 | 63.7 | 0 | 0 | 0 | 111.2 | A320 H321 P322 I398 | A320-H324 HydrophobicContact CB-CB 4.09Å; H321-H324 WeakPolarHBondContact O-CB 3.29Å; H321-H324 PolarHBondContact O-N 3.34Å; H321-H324 VanDerWaalsContact O-N 3.07Å; H321-H324 PolarHBondContact O-ND1 3.36Å; P322-H324 VanDerWaalsContact C-N 3.28Å; P322-H324 PolarHBondContact O-N 3.15Å; P322-H324 PolarHBondContact O-ND1 3.42Å; H324-I398 CarbonylContact C-O 3.56Å; H324-I398 VanDerWaalsContact CA-O 3.28Å; H324-I398 WeakPolarHBondContact CA-O 3.41Å; H324-I398 WeakPolarHBondContact CB-O 3.17Å |
| 325 | S | 88.8 | Confident | 90.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 155.2 | 164.7 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | L370 N372 G397 I398 | S325-L370 WeakPolarHBondContact CB-O 3.48Å; S325-N372 PolarHBondContact OG-N 2.87Å; S325-G397 CarbonylContact O-C 3.47Å; S325-G397 WeakPolarHBondContact O-CA 3.27Å; S325-I398 PolarHBondContact N-O 2.75Å; S325-I398 PolarHBondContact O-N 2.85Å |
| 326 | I | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.7 | 177 | -64.4 | 167.6 | 0 | 0 | 0 | 109.6 | I318 A320 L328 L370 A376 | I318-I326 HydrophobicContact CG2-CD1 4.15Å; I318-I326 HydrophobicContact CG2-CG2 4.47Å; A320-I326 HydrophobicContact CB-CD1 4.06Å; A320-I326 HydrophobicContact CB-CG1 3.61Å; I326-L328 HydrophobicContact CG2-CD2 3.81Å; I326-L328 HydrophobicContact CG2-CG 4.19Å; I326-L370 HydrophobicContact CB-CB 4.27Å; I326-L370 HydrophobicContact CB-CD1 4.21Å; I326-L370 HydrophobicContact CG2-CD1 4.34Å; I326-L370 PolarHBondContact N-O 2.78Å; I326-L370 PolarHBondContact O-N 3.48Å; I326-A376 HydrophobicContact CD1-CB 3.85Å; I326-A376 HydrophobicContact CG2-CB 4.18Å |
| 327 | L | 93 | Very high | 90.7 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.8 | 170.9 | 178.3 | 65.1 | 0 | 0 | 0 | 109.7 | E329 R367 L369 Y395 R396 I398 | L327-E329 HydrophobicContact CD2-CG 4.44Å; L327-E329 HydrophobicContact CG-CG 4.28Å; L327-R367 HydrophobicContact CD1-CB 4.45Å; L327-R367 HydrophobicContact CD1-CG 4.31Å; L327-L369 HydrophobicContact CD1-CB 4.4Å; L327-L369 HydrophobicContact CD1-CD1 4.45Å; L327-Y395 CarbonylContact O-C 3.53Å; L327-Y395 VanDerWaalsContact O-CA 3.3Å; L327-Y395 WeakPolarHBondContact O-CA 3.38Å; L327-R396 PolarHBondContact N-O 3.48Å; L327-R396 PolarHBondContact O-N 3.28Å; L327-I398 HydrophobicContact CB-CD1 4.21Å; L327-I398 HydrophobicContact CB-CG2 4.37Å |
| 328 | L | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.9 | 176.1 | -53.8 | 176.7 | 0 | 0 | 0 | 110.2 | I318 I326 V348 R367 V368 L378 V393 R394 Y395 | I318-L328 HydrophobicContact CD1-CD2 3.8Å; I326-L328 HydrophobicContact CG2-CD2 3.81Å; I326-L328 HydrophobicContact CG2-CG 4.19Å; L328-V348 HydrophobicContact CD1-CG1 3.5Å; L328-V348 VanDerWaalsContact CD1-CG1 3.5Å; L328-V348 HydrophobicContact CD1-CG2 4.31Å; L328-R367 CarbonylContact O-C 3.48Å; L328-R367 VanDerWaalsContact O-CA 3.31Å; L328-R367 WeakPolarHBondContact O-CA 3.3Å; L328-R367 WeakPolarHBondContact O-CB 3.37Å; L328-V368 HydrophobicContact CB-CB 4.21Å; L328-V368 HydrophobicContact CD1-CB 4.3Å; L328-V368 PolarHBondContact N-O 2.76Å; L328-V368 PolarHBondContact O-N 3.01Å; L328-L378 HydrophobicContact CD1-CD1 3.88Å; L328-L378 HydrophobicContact CD2-CD1 4.48Å; L328-V393 HydrophobicContact CB-CG1 3.99Å; L328-V393 HydrophobicContact CD2-CG1 4.28Å; L328-R394 WeakPolarHBondContact CA-O 3.19Å; L328-Y395 VanDerWaalsContact CD2-CB 3.43Å |
| 329 | E | 95.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.2 | 179.6 | -63.9 | 176.2 | 128.4 | 0 | 0 | 110.3 | L327 R367 V393 R394 R396 | L327-E329 HydrophobicContact CD2-CG 4.44Å; L327-E329 HydrophobicContact CG-CG 4.28Å; E329-R367 HydrophobicContact CG-CB 4.47Å; E329-V393 CarbonylContact O-C 3.47Å; E329-V393 VanDerWaalsContact O-CA 3.32Å; E329-V393 WeakPolarHBondContact O-CA 3.46Å; E329-R394 PolarHBondContact N-O 2.83Å; E329-R394 PolarHBondContact O-N 2.97Å; E329-R394 IonicContact OE2-CZ 3.51Å; E329-R394 IonicContact OE2-NE 3.2Å; E329-R394 PolarHBondContact OE2-NE 2.81Å; E329-R394 IonicContact OE2-NH2 2.84Å; E329-R394 PolarHBondContact OE2-NH2 3.03Å; E329-R396 VanDerWaalsContact CD-NH2 3.26Å; E329-R396 IonicContact OE1-NH2 2.69Å; E329-R396 PolarHBondContact OE1-NH2 3.09Å; E329-R396 IonicContact OE2-CZ 3.4Å; E329-R396 IonicContact OE2-NE 2.7Å; E329-R396 PolarHBondContact OE2-NE 3.49Å; E329-R396 IonicContact OE2-NH2 3.98Å; E329-R396 PolarHBondContact OE2-NH2 3.5Å |
| 330 | F | 95.5 | Very high | 89.2 | Confident | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 108.3 | -175.1 | -63.1 | -93.5 | 0 | 0 | 0 | 110.6 | F333 L346 V348 F359 P365 A366 V368 V393 | F330-F333 HydrophobicContact CD1-CD2 4.05Å; F330-F333 HydrophobicContact CD1-CE2 4.48Å; F330-F333 HydrophobicContact CE1-CD2 4.48Å; F330-F333 HydrophobicContact CE1-CE2 4.48Å; F330-L346 HydrophobicContact CE1-CD2 3.76Å; F330-V348 HydrophobicContact CZ-CG2 4.39Å; F330-F359 HydrophobicContact CE1-CD2 4.25Å; F330-F359 HydrophobicContact CE1-CE2 4.34Å; F330-F359 AromaticContact CE2-CE2 3.97Å; F330-F359 HydrophobicContact CE2-CE2 3.97Å; F330-F359 HydrophobicContact CE2-CZ 4.35Å; F330-F359 AromaticContact CZ-CD2 3.85Å; F330-F359 HydrophobicContact CZ-CD2 3.85Å; F330-F359 AromaticContact CZ-CE2 3.51Å; F330-F359 HydrophobicContact CZ-CE2 3.51Å; F330-F359 HydrophobicContact CZ-CZ 4.32Å; F330-P365 HydrophobicContact CB-CG 4.48Å; F330-P365 HydrophobicContact CD1-CB 4.23Å; F330-P365 HydrophobicContact CD1-CG 3.9Å; F330-P365 HydrophobicContact CD2-CB 3.72Å; F330-P365 HydrophobicContact CD2-CG 4.28Å; F330-P365 HydrophobicContact CE1-CB 4.39Å; F330-P365 HydrophobicContact CE1-CG 4.19Å; F330-P365 HydrophobicContact CE2-CB 3.9Å; F330-P365 HydrophobicContact CG-CB 3.91Å; F330-P365 HydrophobicContact CG-CG 3.96Å; F330-P365 HydrophobicContact CZ-CB 4.24Å; F330-A366 WeakPolarHBondContact CE2-O 2.93Å; F330-V368 HydrophobicContact CE2-CG2 4.22Å; F330-V393 HydrophobicContact CD1-CG2 3.65Å; F330-V393 HydrophobicContact CE1-CG1 4.3Å; F330-V393 HydrophobicContact CE1-CG2 3.47Å; F330-V393 VanDerWaalsContact CE1-CG2 3.47Å; F330-V393 HydrophobicContact CZ-CG1 4.48Å; F330-V393 HydrophobicContact CZ-CG2 4.36Å |
| 331 | D | 94.4 | Very high | 89.1 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -35.9 | 177 | -68.3 | -19.9 | 0 | 0 | 0 | 110.8 | A392 | D331-A392 HydrophobicContact CB-CB 4.2Å; D331-A392 PolarHBondContact N-O 3.44Å |
| 332 | H | 93.6 | Very high | 88.6 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.2 | -179.5 | -176.7 | 76.3 | 0 | 0 | 0 | 111.4 | G390 F391 A392 | H332-G390 PolarHBondContact CD2-O 2.94Å; H332-F391 VanDerWaalsContact O-CA 3.26Å; H332-F391 WeakPolarHBondContact O-CA 3.23Å; H332-F391 WeakPolarHBondContact O-CB 3.33Å; H332-A392 HydrophobicContact CB-CB 3.99Å; H332-A392 PolarHBondContact O-N 2.98Å |
| 333 | F | 95.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 120.2 | 175.7 | -153.8 | -99.6 | 0 | 0 | 0 | 112.3 | F330 V335 L346 F359 G361 K362 P365 G390 F391 | F330-F333 HydrophobicContact CD1-CD2 4.05Å; F330-F333 HydrophobicContact CD1-CE2 4.48Å; F330-F333 HydrophobicContact CE1-CD2 4.48Å; F330-F333 HydrophobicContact CE1-CE2 4.48Å; F333-V335 HydrophobicContact CE1-CB 3.99Å; F333-V335 HydrophobicContact CE1-CG2 3.99Å; F333-V335 HydrophobicContact CE2-CG2 4.01Å; F333-V335 HydrophobicContact CZ-CB 4.03Å; F333-V335 HydrophobicContact CZ-CG2 3.65Å; F333-L346 HydrophobicContact CE2-CB 4.19Å; F333-L346 HydrophobicContact CE2-CD2 3.92Å; F333-L346 HydrophobicContact CZ-CB 4.3Å; F333-F359 HydrophobicContact CE1-CB 3.89Å; F333-F359 HydrophobicContact CE2-CB 4.01Å; F333-F359 HydrophobicContact CZ-CB 3.34Å; F333-G361 VanDerWaalsContact CD1-O 3.27Å; F333-G361 WeakPolarHBondContact CD1-O 3.37Å; F333-K362 CarbonylContact O-C 3.54Å; F333-K362 WeakPolarHBondContact O-CA 3.16Å; F333-P365 VanDerWaalsContact CB-CD 3.45Å; F333-P365 HydrophobicContact CB-CG 4.28Å; F333-P365 HydrophobicContact CD1-CG 3.85Å; F333-P365 HydrophobicContact CD2-CG 3.69Å; F333-P365 HydrophobicContact CE1-CG 4.09Å; F333-P365 HydrophobicContact CE2-CG 3.95Å; F333-P365 HydrophobicContact CG-CG 3.66Å; F333-P365 HydrophobicContact CZ-CG 4.16Å; F333-G390 CarbonylContact C-O 3.52Å; F333-G390 WeakPolarHBondContact CA-O 3.42Å; F333-F391 HydrophobicContact CD2-CB 3.58Å; F333-F391 HydrophobicContact CE2-CB 3.95Å; F333-F391 HydrophobicContact CE2-CG 4.43Å |
| 334 | D | 95.5 | Very high | 88.5 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 80.5 | 175.8 | -174.5 | 5.9 | 0 | 0 | 0 | 108.6 | G361 K362 G388 R389 G390 | D334-G361 WeakPolarHBondContact CA-O 3.49Å; D334-K362 VanDerWaalsContact OD1-CE 3.22Å; D334-K362 WeakPolarHBondContact OD1-CE 3.25Å; D334-K362 WeakPolarHBondContact OD1-CG 3.31Å; D334-G388 CarbonylContact O-C 3.54Å; D334-G388 WeakPolarHBondContact O-CA 3.43Å; D334-R389 HydrophobicContact CB-CB 4.02Å; D334-R389 PolarHBondContact O-N 2.68Å; D334-R389 IonicContact OD2-CZ 3.6Å; D334-R389 PolarHBondContact OD2-N 3.45Å; D334-R389 IonicContact OD2-NE 3.12Å; D334-R389 IonicContact OD2-NH1 3.83Å; D334-R389 PolarHBondContact OD2-NH1 2.91Å; D334-R389 IonicContact OD2-NH2 2.69Å; D334-R389 PolarHBondContact OD2-NH2 3.45Å; D334-G390 CarbonylContact C-O 3.55Å; D334-G390 PolarHBondContact N-O 3.16Å; D334-G390 WeakPolarHBondContact O-CA 3.34Å; D334-G390 PolarHBondContact O-N 3.01Å |
| 335 | V | 95 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -110.1 | 148.9 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | F333 N337 D344 C360 G361 F380 F391 | F333-V335 HydrophobicContact CE1-CB 3.99Å; F333-V335 HydrophobicContact CE1-CG2 3.99Å; F333-V335 HydrophobicContact CE2-CG2 4.01Å; F333-V335 HydrophobicContact CZ-CB 4.03Å; F333-V335 HydrophobicContact CZ-CG2 3.65Å; V335-N337 PolarHBondContact O-N 2.78Å; V335-N337 VanDerWaalsContact O-N 3.14Å; V335-D344 HydrophobicContact CG1-CB 3.52Å; V335-C360 HydrophobicContact CG1-CB 4.31Å; V335-G361 PolarHBondContact N-O 2.92Å; V335-G361 CarbonylContact O-C 3.57Å; V335-G361 WeakPolarHBondContact O-CA 3.46Å; V335-G361 PolarHBondContact O-N 2.7Å; V335-F380 HydrophobicContact CG1-CE2 4.02Å; V335-F380 HydrophobicContact CG2-CE2 4.04Å; V335-F391 HydrophobicContact CG2-CD1 4.08Å |
| 336 | E | 90.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | trans | -47.8 | 123.3 | -178.2 | -168.9 | -163.2 | 167.9 | 0 | 0 | 111.9 | R220 Y308 F343 D344 C360 R386 | R220-E336 IonicContact CZ-OE1 3.25Å; R220-E336 IonicContact CZ-OE2 2.68Å; R220-E336 IonicContact NH1-OE1 3.5Å; R220-E336 PolarHBondContact NH1-OE1 3.2Å; R220-E336 IonicContact NH1-OE2 3.81Å; R220-E336 PolarHBondContact NH1-OE2 3Å; R220-E336 VanDerWaalsContact NH1-OE2 3.12Å; R220-E336 IonicContact NH2-OE1 3.02Å; R220-E336 PolarHBondContact NH2-OE1 3.27Å; R220-E336 IonicContact NH2-OE2 3.37Å; R220-E336 PolarHBondContact NH2-OE2 3.03Å; Y308-E336 PolarHBondContact OH-N 3.49Å; E336-F343 WeakPolarHBondContact OE1-CD2 3.19Å; E336-F343 VanDerWaalsContact OE2-CB 3.28Å; E336-F343 WeakPolarHBondContact OE2-CB 3.22Å; E336-D344 HydrophobicContact CB-CB 3.7Å; E336-D344 VanDerWaalsContact CB-OD2 3.3Å; E336-D344 WeakPolarHBondContact CB-OD2 3.46Å; E336-C360 WeakPolarHBondContact O-CB 3.31Å; E336-R386 HydrophobicContact CG-CB 3.76Å; E336-R386 VanDerWaalsContact OE1-CD 3.3Å; E336-R386 WeakPolarHBondContact OE1-CD 3.45Å; E336-R386 IonicContact OE1-CZ 3.4Å; E336-R386 IonicContact OE1-NE 3.9Å; E336-R386 IonicContact OE1-NH1 3.95Å; E336-R386 PolarHBondContact OE1-NH1 2.92Å | ||
| 337 | N | 90.8 | Very high | 89.1 | Confident | 108 Ų | 108 | 36.4 Ų | 36.4 | 58% | 0.578 | 18% | 0.184 | S | C | * | . | trans | -78.5 | 129.9 | 178.5 | -167 | 20.3 | 0 | 0 | 0 | 111.2 | V335 | V335-N337 PolarHBondContact O-N 2.78Å; V335-N337 VanDerWaalsContact O-N 3.14Å | ||
| 338 | S | 82.9 | Confident | 89.2 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | trans | -151.9 | 153.2 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | Y340 C341 Q342 F343 | S338-Y340 PolarHBondContact O-N 3.36Å; S338-C341 PolarHBondContact O-N 3.12Å; S338-C341 VanDerWaalsContact O-N 3.09Å; S338-C341 VanDerWaalsContact OG-CA 3.3Å; S338-C341 WeakPolarHBondContact OG-CA 3.28Å; S338-Q342 PolarHBondContact OG-N 2.03Å; S338-F343 PolarHBondContact OG-N 2.89Å | ||
| 339 | S | 76.8 | Confident | 89 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 64% | 0.636 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -57.3 | 123.5 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | C341 Q342 | S339-C341 PolarHBondContact O-N 2.9Å; S339-Q342 VanDerWaalsContact O-CG 3.31Å; S339-Q342 WeakPolarHBondContact O-CG 3.34Å |
| 340 | Y | 73.3 | Confident | 88.6 | Confident | 135 Ų | 135 | 35 Ų | 35 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | 58.6 | 22 | -178.7 | -46.3 | -75.9 | 0 | 0 | 0 | 115.1 | S338 Q342 N474 | S338-Y340 PolarHBondContact O-N 3.36Å; Y340-Q342 VanDerWaalsContact C-N 3.34Å; Y340-Q342 PolarHBondContact O-N 2.86Å; Y340-N474 WeakPolarHBondContact CD1-OD1 3Å; Y340-N474 WeakPolarHBondContact CE1-OD1 3.25Å; Y340-N474 PolarHBondContact OH-OD1 2.76Å |
| 341 | C | 84.5 | Confident | 87.6 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | 52.6 | 49.1 | 177.9 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | S338 S339 R345 I358 C360 | S338-C341 PolarHBondContact O-N 3.12Å; S338-C341 VanDerWaalsContact O-N 3.09Å; S338-C341 VanDerWaalsContact OG-CA 3.3Å; S338-C341 WeakPolarHBondContact OG-CA 3.28Å; S339-C341 PolarHBondContact O-N 2.9Å; C341-R345 HydrophobicContact CB-CB 4.08Å; C341-R345 WeakPolarHBondContact O-CD 3.19Å; C341-I358 HydrophobicContact CB-CG2 3.66Å; C341-C360 WeakPolarHBondContact CA-SG 3.49Å; C341-C360 HydrophobicContact CB-CB 3.59Å; C341-C360 WeakPolarHBondContact CB-SG 3.23Å; C341-C360 WeakPolarHBondContact SG-CB 3.5Å; C341-C360 PolarHBondContact SG-N 3.04Å; C341-C360 CovalentContact SG-SG 2.04Å; C341-C360 PolarHBondContact SG-SG 3.09Å |
| 342 | Q | 75.3 | Confident | 86.7 | Confident | 91 Ų | 91 | 39.5 Ų | 39.5 | 43% | 0.425 | 20% | 0.198 | S | C | . | . | trans | -82.8 | -12.7 | -176.5 | -69.1 | 178.4 | 15.2 | 0 | 0 | 113.9 | L122 S338 S339 Y340 | L122-Q342 WeakPolarHBondContact CD1-O 3.28Å; S338-Q342 PolarHBondContact OG-N 2.03Å; S339-Q342 VanDerWaalsContact O-CG 3.31Å; S339-Q342 WeakPolarHBondContact O-CG 3.34Å; Y340-Q342 VanDerWaalsContact C-N 3.34Å; Y340-Q342 PolarHBondContact O-N 2.86Å | ||
| 343 | F | 77.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -103.9 | -107 | 179.4 | -55.8 | -38.2 | 0 | 0 | 0 | 109 | R220 E336 S338 D383 | R220-F343 VanDerWaalsContact NH1-CB 3.33Å; E336-F343 WeakPolarHBondContact OE1-CD2 3.19Å; E336-F343 VanDerWaalsContact OE2-CB 3.28Å; E336-F343 WeakPolarHBondContact OE2-CB 3.22Å; S338-F343 PolarHBondContact OG-N 2.89Å; F343-D383 WeakPolarHBondContact CB-OD2 3.18Å |
| 344 | D | 86.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -78.6 | 136.1 | 174.6 | -54.6 | -12.4 | 0 | 0 | 0 | 111 | Y308 V335 E336 C360 S381 S382 D383 | Y308-D344 WeakPolarHBondContact CE2-OD2 3.37Å; Y308-D344 PolarHBondContact OH-OD2 3.03Å; V335-D344 HydrophobicContact CG1-CB 3.52Å; E336-D344 HydrophobicContact CB-CB 3.7Å; E336-D344 VanDerWaalsContact CB-OD2 3.3Å; E336-D344 WeakPolarHBondContact CB-OD2 3.46Å; D344-C360 WeakPolarHBondContact O-CB 3.45Å; D344-S381 WeakPolarHBondContact CA-O 3.45Å; D344-S382 WeakPolarHBondContact OD1-CA 3.12Å; D344-S382 WeakPolarHBondContact OD1-CB 3.5Å; D344-D383 PolarHBondContact OD1-N 3.32Å |
| 345 | R | 91.8 | Very high | 85 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 148.1 | -179.9 | 58.1 | 177.1 | 167.4 | -164.3 | 17.1 | 113.1 | D124 C341 I358 F359 F380 S381 | D124-R345 IonicContact OD2-NH2 2.96Å; C341-R345 HydrophobicContact CB-CB 4.08Å; C341-R345 WeakPolarHBondContact O-CD 3.19Å; R345-I358 HydrophobicContact CB-CG2 3.89Å; R345-I358 HydrophobicContact CG-CG2 4.44Å; R345-F359 WeakPolarHBondContact CA-O 3.49Å; R345-F380 WeakPolarHBondContact O-CA 3.2Å; R345-F380 VanDerWaalsContact O-CD2 3.29Å; R345-F380 WeakPolarHBondContact O-CD2 3.29Å; R345-S381 PolarHBondContact N-O 3.39Å; R345-S381 PolarHBondContact O-N 3.02Å |
| 346 | L | 95.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113 | 162.2 | -179.7 | 65.8 | 0 | 0 | 0 | 108.7 | F330 F333 F359 L378 F380 F391 V393 | F330-L346 HydrophobicContact CE1-CD2 3.76Å; F333-L346 HydrophobicContact CE2-CB 4.19Å; F333-L346 HydrophobicContact CE2-CD2 3.92Å; F333-L346 HydrophobicContact CZ-CB 4.3Å; L346-F359 PolarHBondContact N-O 2.9Å; L346-F359 PolarHBondContact O-N 3.23Å; L346-L378 HydrophobicContact CD1-CB 4.23Å; L346-F380 HydrophobicContact CB-CD2 4.44Å; L346-F380 HydrophobicContact CD1-CB 4.11Å; L346-F391 HydrophobicContact CD1-CE1 4.16Å; L346-F391 HydrophobicContact CD1-CE2 4.19Å; L346-F391 HydrophobicContact CD1-CZ 3.81Å; L346-F391 HydrophobicContact CD2-CD1 4.3Å; L346-F391 HydrophobicContact CD2-CD2 4.1Å; L346-F391 HydrophobicContact CD2-CE1 4.44Å; L346-F391 HydrophobicContact CD2-CE2 4.21Å; L346-F391 HydrophobicContact CD2-CG 4.13Å; L346-F391 HydrophobicContact CD2-CZ 4.38Å; L346-V393 HydrophobicContact CD2-CG2 4.14Å |
| 347 | T | 92.5 | Very high | 85 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.7 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | P355 I358 L378 L379 | T347-P355 HydrophobicContact CG2-CB 4.02Å; T347-I358 HydrophobicContact CG2-CG1 4.37Å; T347-L378 WeakPolarHBondContact O-CA 3.45Å; T347-L379 PolarHBondContact N-O 3.03Å; T347-L379 PolarHBondContact O-N 2.98Å |
| 348 | V | 95.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.5 | 171.5 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | L328 F330 V356 A357 F359 V368 L378 | L328-V348 HydrophobicContact CD1-CG1 3.5Å; L328-V348 VanDerWaalsContact CD1-CG1 3.5Å; L328-V348 HydrophobicContact CD1-CG2 4.31Å; F330-V348 HydrophobicContact CZ-CG2 4.39Å; V348-V356 PolarHBondContact O-N 2.97Å; V348-A357 PolarHBondContact N-O 2.88Å; V348-A357 PolarHBondContact O-N 2.95Å; V348-F359 HydrophobicContact CG2-CD2 4.19Å; V348-F359 HydrophobicContact CG2-CE2 3.82Å; V348-V368 HydrophobicContact CG1-CG1 4.05Å; V348-L378 HydrophobicContact CG2-CG 4.4Å |
| 349 | S | 90.8 | Very high | 85.7 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.8 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | R354 P355 A376 V377 | S349-R354 CarbonylContact C-O 3.38Å; S349-R354 WeakPolarHBondContact CA-O 3.1Å; S349-R354 WeakPolarHBondContact CB-O 2.78Å; S349-P355 WeakPolarHBondContact OG-CA 3.43Å; S349-A376 CarbonylContact O-C 3.45Å; S349-A376 WeakPolarHBondContact O-CA 3.35Å; S349-V377 PolarHBondContact N-O 3.33Å; S349-V377 PolarHBondContact O-N 3.49Å |
| 350 | G | 85.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -95.8 | -146.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N353 R354 N375 | G350-N353 PolarHBondContact O-N 3.18Å; G350-R354 PolarHBondContact N-O 2.85Å; G350-N375 CarbonylContact C-O 3.58Å | ||
| 351 | S | 75.7 | Confident | 87.5 | Confident | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -52.3 | 144.7 | 177.6 | -43.3 | 0 | 0 | 0 | 0 | 112 | N353 R354 S373 E413 | S351-N353 PolarHBondContact O-N 3.31Å; S351-N353 VanDerWaalsContact O-N 3.13Å; S351-R354 PolarHBondContact O-N 2.92Å; S351-S373 PolarHBondContact N-OG 3.37Å; S351-S373 PolarHBondContact OG-OG 3.33Å; S351-E413 WeakPolarHBondContact CB-OE2 3.46Å; S351-E413 PolarHBondContact OG-OE2 3.37Å |
| 352 | K | 74.9 | Confident | 88 | Confident | 172 Ų | 172 | 39.4 Ų | 39.4 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | 58 | 24.6 | 177.6 | -52.4 | 172.6 | -177.3 | 169 | 0 | 113.9 | R354 | K352-R354 PolarHBondContact O-N 2.81Š|
| 353 | N | 75.5 | Confident | 88.8 | Confident | 114 Ų | 114 | 42.4 Ų | 42.4 | 61% | 0.61 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | 58.8 | 28.2 | -179 | -60.8 | -19 | 0 | 0 | 0 | 114.2 | G350 S351 | G350-N353 PolarHBondContact O-N 3.18Å; S351-N353 PolarHBondContact O-N 3.31Å; S351-N353 VanDerWaalsContact O-N 3.13Å |
| 354 | R | 84.1 | Confident | 89.6 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | -76.8 | 123 | 175.5 | -72 | 175.3 | 166.1 | -173.1 | -14.9 | 110.1 | S349 G350 S351 K352 V356 E413 Y438 S439 | S349-R354 CarbonylContact C-O 3.38Å; S349-R354 WeakPolarHBondContact CA-O 3.1Å; S349-R354 WeakPolarHBondContact CB-O 2.78Å; G350-R354 PolarHBondContact N-O 2.85Å; S351-R354 PolarHBondContact O-N 2.92Å; K352-R354 PolarHBondContact O-N 2.81Å; R354-V356 PolarHBondContact O-N 2.78Å; R354-E413 IonicContact NH1-OE1 3.49Å; R354-Y438 HydrophobicContact CB-CD2 4.02Å; R354-Y438 HydrophobicContact CB-CE1 4.5Å; R354-Y438 HydrophobicContact CB-CE2 3.73Å; R354-S439 PolarHBondContact NH1-O 2.81Å; R354-S439 PolarHBondContact NH2-O 2.9Å | ||
| 355 | P | 90.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129 | -175.8 | 29.5 | -34.8 | 0 | 0 | 0 | 111.4 | T347 S349 Y438 I471 | T347-P355 HydrophobicContact CG2-CB 4.02Å; S349-P355 WeakPolarHBondContact OG-CA 3.43Å; P355-Y438 WeakPolarHBondContact CD-OH 3.45Å; P355-Y438 PolarHBondContact O-OH 2.96Å; P355-I471 HydrophobicContact CB-CD1 3.59Å; P355-I471 HydrophobicContact CG-CD1 3.7Å |
| 356 | V | 92.9 | Very high | 90 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -41.7 | -179.3 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | V348 R354 V368 L370 I409 L411 V436 | V348-V356 PolarHBondContact O-N 2.97Å; R354-V356 PolarHBondContact O-N 2.78Å; V356-V368 HydrophobicContact CG1-CG1 4.04Å; V356-L370 HydrophobicContact CB-CD2 4.39Å; V356-L370 HydrophobicContact CG1-CD2 4.37Å; V356-L370 HydrophobicContact CG2-CD2 3.73Å; V356-I409 HydrophobicContact CG1-CG2 3.88Å; V356-L411 HydrophobicContact CG1-CB 4.08Å; V356-L411 HydrophobicContact CG2-CB 3.97Å; V356-L411 HydrophobicContact CG2-CD1 4.03Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.15Å; V356-V436 HydrophobicContact CG1-CB 4.24Å; V356-V436 HydrophobicContact CG1-CG2 4.14Å; V356-V436 WeakPolarHBondContact O-CG2 3.5Å |
| 357 | A | 92.6 | Very high | 90 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 150.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V348 F359 I409 | V348-A357 PolarHBondContact N-O 2.88Å; V348-A357 PolarHBondContact O-N 2.95Å; A357-F359 HydrophobicContact CB-CD1 4.49Å; A357-F359 HydrophobicContact CB-CD2 4.38Å; A357-F359 HydrophobicContact CB-CE1 3.73Å; A357-F359 HydrophobicContact CB-CE2 3.6Å; A357-F359 HydrophobicContact CB-CZ 3.24Å; A357-I409 HydrophobicContact CB-CD1 4.01Å |
| 358 | I | 92.1 | Very high | 90.1 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.5 | 173.4 | -56.9 | 173.1 | 0 | 0 | 0 | 106.7 | C341 R345 T347 I471 E472 | C341-I358 HydrophobicContact CB-CG2 3.66Å; R345-I358 HydrophobicContact CB-CG2 3.89Å; R345-I358 HydrophobicContact CG-CG2 4.44Å; T347-I358 HydrophobicContact CG2-CG1 4.37Å; I358-I471 HydrophobicContact CD1-CD1 3.74Å; I358-I471 HydrophobicContact CD1-CG1 4.33Å; I358-I471 HydrophobicContact CG1-CD1 3.94Å; I358-E472 HydrophobicContact CD1-CG 4.23Å |
| 359 | F | 95.2 | Very high | 90 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 10% | 0.101 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.3 | -175.5 | -55.2 | -61.2 | 0 | 0 | 0 | 111.8 | F330 F333 R345 L346 V348 A357 P365 V368 I409 | F330-F359 HydrophobicContact CE1-CD2 4.25Å; F330-F359 HydrophobicContact CE1-CE2 4.34Å; F330-F359 AromaticContact CE2-CE2 3.97Å; F330-F359 HydrophobicContact CE2-CE2 3.97Å; F330-F359 HydrophobicContact CE2-CZ 4.35Å; F330-F359 AromaticContact CZ-CD2 3.85Å; F330-F359 HydrophobicContact CZ-CD2 3.85Å; F330-F359 AromaticContact CZ-CE2 3.51Å; F330-F359 HydrophobicContact CZ-CE2 3.51Å; F330-F359 HydrophobicContact CZ-CZ 4.32Å; F333-F359 HydrophobicContact CE1-CB 3.89Å; F333-F359 HydrophobicContact CE2-CB 4.01Å; F333-F359 HydrophobicContact CZ-CB 3.34Å; R345-F359 WeakPolarHBondContact CA-O 3.49Å; L346-F359 PolarHBondContact N-O 2.9Å; L346-F359 PolarHBondContact O-N 3.23Å; V348-F359 HydrophobicContact CG2-CD2 4.19Å; V348-F359 HydrophobicContact CG2-CE2 3.82Å; A357-F359 HydrophobicContact CB-CD1 4.49Å; A357-F359 HydrophobicContact CB-CD2 4.38Å; A357-F359 HydrophobicContact CB-CE1 3.73Å; A357-F359 HydrophobicContact CB-CE2 3.6Å; A357-F359 HydrophobicContact CB-CZ 3.24Å; F359-P365 HydrophobicContact CB-CG 4.02Å; F359-P365 HydrophobicContact CD1-CB 3.62Å; F359-P365 HydrophobicContact CD1-CG 3.96Å; F359-P365 HydrophobicContact CD2-CB 4.19Å; F359-P365 HydrophobicContact CD2-CG 4.28Å; F359-P365 HydrophobicContact CE1-CB 3.63Å; F359-P365 HydrophobicContact CE1-CG 4.45Å; F359-P365 HydrophobicContact CE2-CB 4.19Å; F359-P365 HydrophobicContact CG-CB 3.89Å; F359-P365 HydrophobicContact CG-CG 3.84Å; F359-P365 HydrophobicContact CZ-CB 3.9Å; F359-V368 HydrophobicContact CE2-CG2 3.98Å; F359-V368 HydrophobicContact CZ-CG2 3.78Å; F359-I409 HydrophobicContact CE1-CD1 3.78Å; F359-I409 HydrophobicContact CZ-CD1 3.76Å |
| 360 | C | 94.4 | Very high | 90 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | trans | -154.3 | 168.7 | 170.8 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | V335 E336 C341 D344 | V335-C360 HydrophobicContact CG1-CB 4.31Å; E336-C360 WeakPolarHBondContact O-CB 3.31Å; C341-C360 WeakPolarHBondContact CA-SG 3.49Å; C341-C360 HydrophobicContact CB-CB 3.59Å; C341-C360 WeakPolarHBondContact CB-SG 3.23Å; C341-C360 WeakPolarHBondContact SG-CB 3.5Å; C341-C360 PolarHBondContact SG-N 3.04Å; C341-C360 CovalentContact SG-SG 2.04Å; C341-C360 PolarHBondContact SG-SG 3.09Å; D344-C360 WeakPolarHBondContact O-CB 3.45Å | ||
| 361 | G | 94.8 | Very high | 90 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | 90.8 | -166.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F333 D334 V335 | F333-G361 VanDerWaalsContact CD1-O 3.27Å; F333-G361 WeakPolarHBondContact CD1-O 3.37Å; D334-G361 WeakPolarHBondContact CA-O 3.49Å; V335-G361 PolarHBondContact N-O 2.92Å; V335-G361 CarbonylContact O-C 3.57Å; V335-G361 WeakPolarHBondContact O-CA 3.46Å; V335-G361 PolarHBondContact O-N 2.7Å |
| 362 | K | 94.1 | Very high | 90.3 | Very high | 149 Ų | 149 | 58.5 Ų | 58.5 | 65% | 0.648 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -108 | -8.8 | -172.5 | -61.6 | -168.4 | 175.1 | -175.6 | 0 | 114.7 | F333 D334 | F333-K362 CarbonylContact O-C 3.54Å; F333-K362 WeakPolarHBondContact O-CA 3.16Å; D334-K362 VanDerWaalsContact OD1-CE 3.22Å; D334-K362 WeakPolarHBondContact OD1-CE 3.25Å; D334-K362 WeakPolarHBondContact OD1-CG 3.31Å |
| 363 | L | 92.3 | Very high | 90.7 | Very high | 154 Ų | 154 | 50.3 Ų | 50.3 | 81% | 0.806 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.1 | 133.2 | 177.8 | -67.9 | 175.1 | 0 | 0 | 0 | 108.2 | P365 | L363-P365 VanDerWaalsContact O-CD 3.29Å; L363-P365 WeakPolarHBondContact O-CD 3.44Å |
| 364 | R | 93.8 | Very high | 91.2 | Very high | 183 Ų | 183 | 48.4 Ų | 48.4 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -60.5 | 123.7 | 175.7 | -74.5 | -173 | -65.5 | 176.2 | 0.3 | 109.2 | ||
| 365 | P | 94.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 156.6 | 178.4 | -25.4 | 34.7 | 0 | 0 | 0 | 113.1 | F330 F333 F359 L363 | F330-P365 HydrophobicContact CB-CG 4.48Å; F330-P365 HydrophobicContact CD1-CB 4.23Å; F330-P365 HydrophobicContact CD1-CG 3.9Å; F330-P365 HydrophobicContact CD2-CB 3.72Å; F330-P365 HydrophobicContact CD2-CG 4.28Å; F330-P365 HydrophobicContact CE1-CB 4.39Å; F330-P365 HydrophobicContact CE1-CG 4.19Å; F330-P365 HydrophobicContact CE2-CB 3.9Å; F330-P365 HydrophobicContact CG-CB 3.91Å; F330-P365 HydrophobicContact CG-CG 3.96Å; F330-P365 HydrophobicContact CZ-CB 4.24Å; F333-P365 VanDerWaalsContact CB-CD 3.45Å; F333-P365 HydrophobicContact CB-CG 4.28Å; F333-P365 HydrophobicContact CD1-CG 3.85Å; F333-P365 HydrophobicContact CD2-CG 3.69Å; F333-P365 HydrophobicContact CE1-CG 4.09Å; F333-P365 HydrophobicContact CE2-CG 3.95Å; F333-P365 HydrophobicContact CG-CG 3.66Å; F333-P365 HydrophobicContact CZ-CG 4.16Å; F359-P365 HydrophobicContact CB-CG 4.02Å; F359-P365 HydrophobicContact CD1-CB 3.62Å; F359-P365 HydrophobicContact CD1-CG 3.96Å; F359-P365 HydrophobicContact CD2-CB 4.19Å; F359-P365 HydrophobicContact CD2-CG 4.28Å; F359-P365 HydrophobicContact CE1-CB 3.63Å; F359-P365 HydrophobicContact CE1-CG 4.45Å; F359-P365 HydrophobicContact CE2-CB 4.19Å; F359-P365 HydrophobicContact CG-CB 3.89Å; F359-P365 HydrophobicContact CG-CG 3.84Å; F359-P365 HydrophobicContact CZ-CB 3.9Å; L363-P365 VanDerWaalsContact O-CD 3.29Å; L363-P365 WeakPolarHBondContact O-CD 3.44Å |
| 366 | A | 92.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 48 Ų | 48 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 151.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F330 G407 I409 | F330-A366 WeakPolarHBondContact CE2-O 2.93Å; A366-G407 WeakPolarHBondContact CB-O 3.47Å; A366-I409 HydrophobicContact CB-CD1 4.05Å; A366-I409 HydrophobicContact CB-CG1 4.02Å |
| 367 | R | 94.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 144.5 | 176 | 77.7 | -167.9 | 92.2 | 180 | 7 | 109.6 | L327 L328 E329 C406 G407 T408 I409 | L327-R367 HydrophobicContact CD1-CB 4.45Å; L327-R367 HydrophobicContact CD1-CG 4.31Å; L328-R367 CarbonylContact O-C 3.48Å; L328-R367 VanDerWaalsContact O-CA 3.31Å; L328-R367 WeakPolarHBondContact O-CA 3.3Å; L328-R367 WeakPolarHBondContact O-CB 3.37Å; E329-R367 HydrophobicContact CG-CB 4.47Å; R367-C406 PolarHBondContact NH2-O 3.17Å; R367-G407 PolarHBondContact N-O 2.83Å; R367-G407 VanDerWaalsContact N-O 3.11Å; R367-T408 WeakPolarHBondContact CD-OG1 3.5Å; R367-T408 HydrophobicContact CG-CG2 3.67Å; R367-T408 VanDerWaalsContact CG-OG1 3.27Å; R367-T408 WeakPolarHBondContact CG-OG1 3.21Å; R367-T408 PolarHBondContact NE-OG1 2.85Å; R367-T408 CarbonylContact O-C 3.44Å; R367-T408 WeakPolarHBondContact O-CA 3.33Å; R367-I409 PolarHBondContact O-N 2.89Å |
| 368 | V | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.1 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | L328 F330 V348 V356 F359 L370 I409 | L328-V368 HydrophobicContact CB-CB 4.21Å; L328-V368 HydrophobicContact CD1-CB 4.3Å; L328-V368 PolarHBondContact N-O 2.76Å; L328-V368 PolarHBondContact O-N 3.01Å; F330-V368 HydrophobicContact CE2-CG2 4.22Å; V348-V368 HydrophobicContact CG1-CG1 4.05Å; V356-V368 HydrophobicContact CG1-CG1 4.04Å; F359-V368 HydrophobicContact CE2-CG2 3.98Å; F359-V368 HydrophobicContact CZ-CG2 3.78Å; V368-L370 HydrophobicContact CG1-CD2 3.82Å; V368-L370 HydrophobicContact CG1-CG 4.35Å; V368-I409 CarbonylContact C-O 3.51Å; V368-I409 WeakPolarHBondContact CA-O 3.23Å; V368-I409 HydrophobicContact CG2-CB 4.34Å; V368-I409 HydrophobicContact CG2-CD1 4.49Å |
| 369 | L | 93.1 | Very high | 91 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.7 | 176.2 | 177.5 | 60.6 | 0 | 0 | 0 | 109.4 | L327 Q371 I398 F402 T408 I409 V410 L411 | L327-L369 HydrophobicContact CD1-CB 4.4Å; L327-L369 HydrophobicContact CD1-CD1 4.45Å; L369-Q371 PolarHBondContact O-N 2.9Å; L369-I398 HydrophobicContact CD1-CD1 3.74Å; L369-F402 HydrophobicContact CD2-CB 4.42Å; L369-F402 HydrophobicContact CD2-CD1 4.19Å; L369-T408 HydrophobicContact CB-CG2 3.9Å; L369-I409 PolarHBondContact N-O 3.19Å; L369-V410 HydrophobicContact CB-CG2 4.47Å; L369-V410 HydrophobicContact CD2-CG1 4.46Å; L369-V410 CarbonylContact O-C 3.53Å; L369-V410 WeakPolarHBondContact O-CA 3.41Å; L369-L411 PolarHBondContact O-N 3.06Å |
| 370 | L | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 80 | 174.3 | -52.5 | 177.9 | 0 | 0 | 0 | 108.8 | S325 I326 V356 V368 N372 S373 A376 L411 | S325-L370 WeakPolarHBondContact CB-O 3.48Å; I326-L370 HydrophobicContact CB-CB 4.27Å; I326-L370 HydrophobicContact CB-CD1 4.21Å; I326-L370 HydrophobicContact CG2-CD1 4.34Å; I326-L370 PolarHBondContact N-O 2.78Å; I326-L370 PolarHBondContact O-N 3.48Å; V356-L370 HydrophobicContact CB-CD2 4.39Å; V356-L370 HydrophobicContact CG1-CD2 4.37Å; V356-L370 HydrophobicContact CG2-CD2 3.73Å; V368-L370 HydrophobicContact CG1-CD2 3.82Å; V368-L370 HydrophobicContact CG1-CG 4.35Å; L370-N372 PolarHBondContact O-N 3.16Å; L370-S373 PolarHBondContact O-N 3.03Å; L370-S373 VanDerWaalsContact O-N 3.17Å; L370-A376 HydrophobicContact CD1-CB 3.29Å; L370-L411 HydrophobicContact CD2-CB 3.8Å; L370-L411 HydrophobicContact CD2-CD2 3.92Å |
| 371 | Q | 86.2 | Confident | 90.3 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 129.1 | -175.3 | -168.3 | 74.5 | 4.8 | 0 | 0 | 110.4 | L369 S373 V410 L411 | L369-Q371 PolarHBondContact O-N 2.9Å; Q371-S373 PolarHBondContact O-N 2.9Å; Q371-V410 HydrophobicContact CB-CG1 4.18Å; Q371-L411 WeakPolarHBondContact CB-O 3.49Å |
| 372 | N | 81.6 | Confident | 89.7 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 14.9 | -178.5 | -59.1 | -24.3 | 0 | 0 | 0 | 114.8 | S325 L370 | S325-N372 PolarHBondContact OG-N 2.87Å; L370-N372 PolarHBondContact O-N 3.16Å |
| 373 | S | 83.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -104.3 | 128.8 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | S351 L370 Q371 N375 | S351-S373 PolarHBondContact N-OG 3.37Å; S351-S373 PolarHBondContact OG-OG 3.33Å; L370-S373 PolarHBondContact O-N 3.03Å; L370-S373 VanDerWaalsContact O-N 3.17Å; Q371-S373 PolarHBondContact O-N 2.9Å; S373-N375 PolarHBondContact OG-O 2.99Å | ||
| 374 | Q | 85.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 36.5 Ų | 36.5 | 35% | 0.346 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -92.4 | -6.3 | 179.5 | -63.7 | 172.4 | 14.1 | 0 | 0 | 113 | K319 A320 | K319-Q374 CarbonylContact C-O 3.44Å; K319-Q374 WeakPolarHBondContact CA-O 3.48Å; A320-Q374 PolarHBondContact N-O 3.43Å |
| 375 | N | 86.5 | Confident | 85 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 40% | 0.396 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.4 | -175.7 | -57.7 | -67 | 0 | 0 | 0 | 110.2 | I318 G350 S373 | I318-N375 WeakPolarHBondContact O-CA 3.35Å; G350-N375 CarbonylContact C-O 3.58Å; S373-N375 PolarHBondContact OG-O 2.99Å |
| 376 | A | 90.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I318 I326 S349 L370 L378 | I318-A376 HydrophobicContact CB-CB 4.12Å; I318-A376 HydrophobicContact CD1-CB 4.35Å; I318-A376 PolarHBondContact N-O 3.41Å; I318-A376 PolarHBondContact O-N 2.92Å; I326-A376 HydrophobicContact CD1-CB 3.85Å; I326-A376 HydrophobicContact CG2-CB 4.18Å; S349-A376 CarbonylContact O-C 3.45Å; S349-A376 WeakPolarHBondContact O-CA 3.35Å; L370-A376 HydrophobicContact CD1-CB 3.29Å; A376-L378 HydrophobicContact CB-CD1 4.47Å |
| 377 | V | 89.6 | Confident | 83.5 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.8 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | L315 W316 S349 | L315-V377 HydrophobicContact CD1-CG1 4.26Å; L315-V377 HydrophobicContact CD2-CG1 4.36Å; L315-V377 HydrophobicContact CG-CG1 4.04Å; W316-V377 WeakPolarHBondContact O-CA 3.47Å; S349-V377 PolarHBondContact N-O 3.33Å; S349-V377 PolarHBondContact O-N 3.49Å |
| 378 | L | 93.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.8 | 169.6 | -80.8 | 64.3 | 0 | 0 | 0 | 107.3 | I298 L315 W316 I318 L328 L346 T347 V348 A376 V393 | I298-L378 HydrophobicContact CD1-CD2 4.04Å; L315-L378 WeakPolarHBondContact CA-O 3.3Å; W316-L378 HydrophobicContact CB-CB 4.35Å; W316-L378 HydrophobicContact CE3-CB 4Å; W316-L378 PolarHBondContact N-O 3.28Å; W316-L378 PolarHBondContact O-N 2.88Å; I318-L378 HydrophobicContact CD1-CD1 3.7Å; L328-L378 HydrophobicContact CD1-CD1 3.88Å; L328-L378 HydrophobicContact CD2-CD1 4.48Å; L346-L378 HydrophobicContact CD1-CB 4.23Å; T347-L378 WeakPolarHBondContact O-CA 3.45Å; V348-L378 HydrophobicContact CG2-CG 4.4Å; A376-L378 HydrophobicContact CB-CD1 4.47Å; L378-V393 HydrophobicContact CD2-CB 4.14Å; L378-V393 HydrophobicContact CD2-CG1 4.13Å; L378-V393 HydrophobicContact CD2-CG2 4.11Å |
| 379 | L | 87.5 | Confident | 83.1 | Confident | 51 Ų | 51 | 37 Ų | 37 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.8 | 176.6 | 179 | 65.2 | 0 | 0 | 0 | 108.8 | L313 C314 L315 T347 | L313-L379 HydrophobicContact CD1-CD1 3.76Å; L313-L379 HydrophobicContact CD1-CG 4.49Å; L313-L379 HydrophobicContact CG-CD1 4.14Å; C314-L379 WeakPolarHBondContact O-CA 3.16Å; L315-L379 HydrophobicContact CB-CD1 4.34Å; L315-L379 HydrophobicContact CD1-CD1 4.42Å; T347-L379 PolarHBondContact N-O 3.03Å; T347-L379 PolarHBondContact O-N 2.98Å |
| 380 | F | 92.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.2 | 168.9 | -179.2 | -115.5 | 0 | 0 | 0 | 109.8 | N300 Y308 Q312 L313 C314 W316 V335 R345 L346 F391 | N300-F380 WeakPolarHBondContact ND2-CD1 3.46Å; N300-F380 WeakPolarHBondContact ND2-CE1 3.44Å; Y308-F380 AromaticContact CD1-CZ 3.98Å; Y308-F380 HydrophobicContact CD1-CZ 3.98Å; Y308-F380 AromaticContact CD2-CE1 3.9Å; Y308-F380 HydrophobicContact CD2-CE1 3.9Å; Y308-F380 AromaticContact CD2-CZ 3.67Å; Y308-F380 HydrophobicContact CD2-CZ 3.67Å; Y308-F380 HydrophobicContact CE1-CZ 4Å; Y308-F380 HydrophobicContact CE2-CE1 4.35Å; Y308-F380 AromaticContact CE2-CZ 3.71Å; Y308-F380 HydrophobicContact CE2-CZ 3.71Å; Y308-F380 HydrophobicContact CG-CE1 4.01Å; Y308-F380 AromaticContact CG-CZ 3.81Å; Y308-F380 HydrophobicContact CG-CZ 3.81Å; Y308-F380 AromaticContact CZ-CZ 3.87Å; Q312-F380 HydrophobicContact CB-CD1 4.26Å; Q312-F380 HydrophobicContact CB-CE1 4.12Å; L313-F380 CarbonylContact C-O 3.57Å; L313-F380 VanDerWaalsContact CA-O 3.3Å; L313-F380 WeakPolarHBondContact CA-O 3.15Å; C314-F380 HydrophobicContact CB-CB 4.14Å; C314-F380 PolarHBondContact N-O 3.19Å; C314-F380 PolarHBondContact O-N 2.94Å; W316-F380 HydrophobicContact CH2-CB 4.47Å; W316-F380 HydrophobicContact CZ3-CB 4Å; V335-F380 HydrophobicContact CG1-CE2 4.02Å; V335-F380 HydrophobicContact CG2-CE2 4.04Å; R345-F380 WeakPolarHBondContact O-CA 3.2Å; R345-F380 VanDerWaalsContact O-CD2 3.29Å; R345-F380 WeakPolarHBondContact O-CD2 3.29Å; L346-F380 HydrophobicContact CB-CD2 4.44Å; L346-F380 HydrophobicContact CD1-CB 4.11Å; F380-F391 HydrophobicContact CB-CE1 3.92Å; F380-F391 HydrophobicContact CB-CZ 3.88Å; F380-F391 HydrophobicContact CD1-CE1 4.24Å; F380-F391 HydrophobicContact CD2-CD1 4.28Å; F380-F391 AromaticContact CD2-CE1 3.44Å; F380-F391 HydrophobicContact CD2-CE1 3.44Å; F380-F391 VanDerWaalsContact CD2-CE1 3.44Å; F380-F391 HydrophobicContact CD2-CZ 4.27Å; F380-F391 HydrophobicContact CE2-CD1 4.46Å; F380-F391 AromaticContact CE2-CE1 3.94Å; F380-F391 HydrophobicContact CE2-CE1 3.94Å; F380-F391 AromaticContact CG-CE1 3.59Å; F380-F391 HydrophobicContact CG-CE1 3.59Å; F380-F391 HydrophobicContact CG-CZ 4.05Å |
| 381 | S | 84 | Confident | 83.3 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.1 | 172 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | L122 Q312 D344 R345 | L122-S381 WeakPolarHBondContact CD2-OG 3.31Å; Q312-S381 VanDerWaalsContact O-CA 3.31Å; Q312-S381 WeakPolarHBondContact O-CA 3.33Å; D344-S381 WeakPolarHBondContact CA-O 3.45Å; R345-S381 PolarHBondContact N-O 3.39Å; R345-S381 PolarHBondContact O-N 3.02Å |
| 382 | S | 81.4 | Confident | 83.8 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | trans | -113.8 | 159.2 | 168.7 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | D309 N311 Q312 D344 | D309-S382 PolarHBondContact O-OG 2.98Å; N311-S382 WeakPolarHBondContact CA-O 3.29Å; N311-S382 PolarHBondContact N-OG 3.08Å; N311-S382 VanDerWaalsContact N-OG 3.17Å; Q312-S382 WeakPolarHBondContact CB-OG 3.22Å; Q312-S382 PolarHBondContact N-OG 2.98Å; Q312-S382 PolarHBondContact O-N 2.73Å; D344-S382 WeakPolarHBondContact OD1-CA 3.12Å; D344-S382 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 383 | D | 67.8 | Low | 84.5 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | trans | -99.3 | -165.9 | 172 | 77.7 | 26.9 | 0 | 0 | 0 | 112.1 | R220 N310 N311 F343 D344 N385 | R220-D383 WeakPolarHBondContact CD-OD2 3.45Å; R220-D383 VanDerWaalsContact CZ-CG 3.42Å; R220-D383 IonicContact CZ-OD1 3.59Å; R220-D383 VanDerWaalsContact CZ-OD1 3.25Å; R220-D383 IonicContact CZ-OD2 3.39Å; R220-D383 IonicContact NE-OD1 2.92Å; R220-D383 IonicContact NE-OD2 3.12Å; R220-D383 PolarHBondContact NE-OD2 2.8Å; R220-D383 IonicContact NH1-OD1 2.84Å; R220-D383 IonicContact NH1-OD2 3.36Å; R220-D383 PolarHBondContact NH1-OD2 2.82Å; R220-D383 IonicContact NH2-OD1 2.83Å; R220-D383 PolarHBondContact NH2-OD1 3.3Å; R220-D383 IonicContact NH2-OD2 3.46Å; R220-D383 PolarHBondContact NH2-OD2 2.68Å; N310-D383 CarbonylContact C-O 3.35Å; N310-D383 WeakPolarHBondContact CA-O 3.3Å; N310-D383 WeakPolarHBondContact CB-O 3.18Å; N311-D383 PolarHBondContact N-O 3.02Å; F343-D383 WeakPolarHBondContact CB-OD2 3.18Å; D344-D383 PolarHBondContact OD1-N 3.32Å; D383-N385 VanDerWaalsContact C-N 3.32Å; D383-N385 PolarHBondContact O-N 2.93Å; D383-N385 PolarHBondContact OD1-N 3.23Å; D383-N385 VanDerWaalsContact OD1-N 3.11Å; D383-N385 PolarHBondContact OD1-OD1 2.92Å | ||
| 384 | I | 54.9 | Low | 85 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -74.4 | -10.8 | -169.3 | 61.9 | 169 | 0 | 0 | 0 | 115.2 | C119 N310 N311 | C119-I384 HydrophobicContact CB-CG2 4.36Å; C119-I384 VanDerWaalsContact SG-CD1 3.51Å; C119-I384 WeakPolarHBondContact SG-CG1 3.43Å; C119-I384 WeakPolarHBondContact SG-CG2 3.37Å; N310-I384 WeakPolarHBondContact CB-O 3.41Å; N310-I384 PolarHBondContact ND2-O 2.94Å; N311-I384 WeakPolarHBondContact ND2-CG2 3.39Å; N311-I384 VanDerWaalsContact OD1-CG2 3.28Å; N311-I384 WeakPolarHBondContact OD1-CG2 3.35Å |
| 385 | N | 59 | Low | 85.4 | Confident | 65 Ų | 65 | 32.1 Ų | 32.1 | 35% | 0.348 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -158.4 | 170.4 | -176.1 | 60.2 | -15.5 | 0 | 0 | 0 | 113.4 | R220 N310 D383 | R220-N385 PolarHBondContact NE-OD1 3.14Å; R220-N385 PolarHBondContact NH2-O 3.49Å; R220-N385 PolarHBondContact NH2-OD1 3.02Å; N310-N385 WeakPolarHBondContact OD1-CA 3.2Å; N310-N385 PolarHBondContact OD1-N 3.11Å; D383-N385 VanDerWaalsContact C-N 3.32Å; D383-N385 PolarHBondContact O-N 2.93Å; D383-N385 PolarHBondContact OD1-N 3.23Å; D383-N385 VanDerWaalsContact OD1-N 3.11Å; D383-N385 PolarHBondContact OD1-OD1 2.92Å |
| 386 | R | 74.6 | Confident | 85.7 | Confident | 149 Ų | 149 | 32.4 Ų | 32.4 | 56% | 0.562 | 15% | 0.149 | S | C | * | . | trans | 67 | 40.4 | 179 | -55.6 | -178.1 | 63.7 | -150.9 | 5.5 | 114.7 | E336 | E336-R386 HydrophobicContact CG-CB 3.76Å; E336-R386 VanDerWaalsContact OE1-CD 3.3Å; E336-R386 WeakPolarHBondContact OE1-CD 3.45Å; E336-R386 IonicContact OE1-CZ 3.4Å; E336-R386 IonicContact OE1-NE 3.9Å; E336-R386 IonicContact OE1-NH1 3.95Å; E336-R386 PolarHBondContact OE1-NH1 2.92Å | ||
| 387 | A | 81.6 | Confident | 85.7 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | trans | -53.7 | 143.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y307 Y308 | Y307-A387 VanDerWaalsContact CD1-O 3.31Å; Y307-A387 WeakPolarHBondContact CD1-O 3.4Å; Y308-A387 HydrophobicContact CD2-CB 3.84Å; Y308-A387 HydrophobicContact CE2-CB 3.71Å; Y308-A387 HydrophobicContact CG-CB 4.37Å; Y308-A387 WeakPolarHBondContact O-CB 3.37Å | ||
| 388 | G | 88.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | trans | -110.6 | -171.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | Y307 Y308 D334 G390 | Y307-G388 VanDerWaalsContact CA-O 3.25Å; Y307-G388 WeakPolarHBondContact CA-O 3.34Å; Y307-G388 VanDerWaalsContact CD1-C 3.46Å; Y307-G388 WeakPolarHBondContact CD1-O 3.48Å; Y308-G388 WeakPolarHBondContact CD1-O 3.32Å; Y308-G388 WeakPolarHBondContact CE1-O 3.21Å; Y308-G388 PolarHBondContact N-O 2.79Å; Y308-G388 PolarHBondContact OH-N 2.95Å; D334-G388 CarbonylContact O-C 3.54Å; D334-G388 WeakPolarHBondContact O-CA 3.43Å; G388-G390 PolarHBondContact O-N 3.49Å | ||
| 389 | R | 92.6 | Very high | 85.3 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | trans | -76.1 | 1.3 | 177.2 | -65.8 | -170.7 | -57 | -61.8 | -6.1 | 114.1 | P301 T306 Y307 D334 | P301-R389 VanDerWaalsContact CD-O 3.27Å; P301-R389 WeakPolarHBondContact CD-O 3.4Å; T306-R389 WeakPolarHBondContact O-CA 3.38Å; Y307-R389 HydrophobicContact CE1-CG 4.41Å; D334-R389 HydrophobicContact CB-CB 4.02Å; D334-R389 PolarHBondContact O-N 2.68Å; D334-R389 IonicContact OD2-CZ 3.6Å; D334-R389 PolarHBondContact OD2-N 3.45Å; D334-R389 IonicContact OD2-NE 3.12Å; D334-R389 IonicContact OD2-NH1 3.83Å; D334-R389 PolarHBondContact OD2-NH1 2.91Å; D334-R389 IonicContact OD2-NH2 2.69Å; D334-R389 PolarHBondContact OD2-NH2 3.45Å | ||
| 390 | G | 93.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.1 | -140 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N300 Y308 H332 F333 D334 G388 | N300-G390 CarbonylContact O-C 3.56Å; N300-G390 WeakPolarHBondContact O-CA 3.41Å; Y308-G390 VanDerWaalsContact CD1-CA 3.5Å; H332-G390 PolarHBondContact CD2-O 2.94Å; F333-G390 CarbonylContact C-O 3.52Å; F333-G390 WeakPolarHBondContact CA-O 3.42Å; D334-G390 CarbonylContact C-O 3.55Å; D334-G390 PolarHBondContact N-O 3.16Å; D334-G390 WeakPolarHBondContact O-CA 3.34Å; D334-G390 PolarHBondContact O-N 3.01Å; G388-G390 PolarHBondContact O-N 3.49Å |
| 391 | F | 95.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.4 | -173.2 | 57.1 | -94.5 | 0 | 0 | 0 | 113.1 | I298 R299 N300 W316 H332 F333 V335 L346 F380 V393 | I298-F391 HydrophobicContact CG2-CE2 4.34Å; R299-F391 WeakPolarHBondContact CA-O 3.38Å; N300-F391 HydrophobicContact CB-CE1 4Å; N300-F391 HydrophobicContact CB-CE2 4.14Å; N300-F391 HydrophobicContact CB-CZ 3.72Å; N300-F391 PolarHBondContact N-O 2.86Å; N300-F391 PolarHBondContact O-N 3.17Å; W316-F391 HydrophobicContact CH2-CE2 4.09Å; W316-F391 AromaticContact CH2-CZ 3.69Å; W316-F391 HydrophobicContact CH2-CZ 3.69Å; W316-F391 HydrophobicContact CZ3-CE2 4.02Å; W316-F391 AromaticContact CZ3-CZ 3.63Å; W316-F391 HydrophobicContact CZ3-CZ 3.63Å; H332-F391 VanDerWaalsContact O-CA 3.26Å; H332-F391 WeakPolarHBondContact O-CA 3.23Å; H332-F391 WeakPolarHBondContact O-CB 3.33Å; F333-F391 HydrophobicContact CD2-CB 3.58Å; F333-F391 HydrophobicContact CE2-CB 3.95Å; F333-F391 HydrophobicContact CE2-CG 4.43Å; V335-F391 HydrophobicContact CG2-CD1 4.08Å; L346-F391 HydrophobicContact CD1-CE1 4.16Å; L346-F391 HydrophobicContact CD1-CE2 4.19Å; L346-F391 HydrophobicContact CD1-CZ 3.81Å; L346-F391 HydrophobicContact CD2-CD1 4.3Å; L346-F391 HydrophobicContact CD2-CD2 4.1Å; L346-F391 HydrophobicContact CD2-CE1 4.44Å; L346-F391 HydrophobicContact CD2-CE2 4.21Å; L346-F391 HydrophobicContact CD2-CG 4.13Å; L346-F391 HydrophobicContact CD2-CZ 4.38Å; F380-F391 HydrophobicContact CB-CE1 3.92Å; F380-F391 HydrophobicContact CB-CZ 3.88Å; F380-F391 HydrophobicContact CD1-CE1 4.24Å; F380-F391 HydrophobicContact CD2-CD1 4.28Å; F380-F391 AromaticContact CD2-CE1 3.44Å; F380-F391 HydrophobicContact CD2-CE1 3.44Å; F380-F391 VanDerWaalsContact CD2-CE1 3.44Å; F380-F391 HydrophobicContact CD2-CZ 4.27Å; F380-F391 HydrophobicContact CE2-CD1 4.46Å; F380-F391 AromaticContact CE2-CE1 3.94Å; F380-F391 HydrophobicContact CE2-CE1 3.94Å; F380-F391 AromaticContact CG-CE1 3.59Å; F380-F391 HydrophobicContact CG-CE1 3.59Å; F380-F391 HydrophobicContact CG-CZ 4.05Å; F391-V393 HydrophobicContact CD2-CG2 3.8Å; F391-V393 HydrophobicContact CE2-CG2 4.38Å |
| 392 | A | 95.2 | Very high | 82.4 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L297 I298 R299 D331 H332 | L297-A392 HydrophobicContact CD1-CB 4.3Å; I298-A392 CarbonylContact O-C 3.56Å; I298-A392 WeakPolarHBondContact O-CA 3.4Å; R299-A392 HydrophobicContact CG-CB 3.98Å; D331-A392 HydrophobicContact CB-CB 4.2Å; D331-A392 PolarHBondContact N-O 3.44Å; H332-A392 HydrophobicContact CB-CB 3.99Å; H332-A392 PolarHBondContact O-N 2.98Å |
| 393 | V | 95.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.4 | -179.7 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | I298 L328 E329 F330 L346 L378 F391 | I298-V393 PolarHBondContact N-O 3.04Å; I298-V393 PolarHBondContact O-N 3.09Å; L328-V393 HydrophobicContact CB-CG1 3.99Å; L328-V393 HydrophobicContact CD2-CG1 4.28Å; E329-V393 CarbonylContact O-C 3.47Å; E329-V393 VanDerWaalsContact O-CA 3.32Å; E329-V393 WeakPolarHBondContact O-CA 3.46Å; F330-V393 HydrophobicContact CD1-CG2 3.65Å; F330-V393 HydrophobicContact CE1-CG1 4.3Å; F330-V393 HydrophobicContact CE1-CG2 3.47Å; F330-V393 VanDerWaalsContact CE1-CG2 3.47Å; F330-V393 HydrophobicContact CZ-CG1 4.48Å; F330-V393 HydrophobicContact CZ-CG2 4.36Å; L346-V393 HydrophobicContact CD2-CG2 4.14Å; L378-V393 HydrophobicContact CD2-CB 4.14Å; L378-V393 HydrophobicContact CD2-CG1 4.13Å; L378-V393 HydrophobicContact CD2-CG2 4.11Å; F391-V393 HydrophobicContact CD2-CG2 3.8Å; F391-V393 HydrophobicContact CE2-CG2 4.38Å |
| 394 | R | 95.4 | Very high | 82.1 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.6 | 170.1 | -168.4 | 170.8 | 67.2 | -174.5 | -2.1 | 109.1 | G296 L297 L328 E329 | G296-R394 CarbonylContact O-C 3.6Å; G296-R394 WeakPolarHBondContact O-CA 3.35Å; L297-R394 HydrophobicContact CD1-CB 4.13Å; L328-R394 WeakPolarHBondContact CA-O 3.19Å; E329-R394 PolarHBondContact N-O 2.83Å; E329-R394 PolarHBondContact O-N 2.97Å; E329-R394 IonicContact OE2-CZ 3.51Å; E329-R394 IonicContact OE2-NE 3.2Å; E329-R394 PolarHBondContact OE2-NE 2.81Å; E329-R394 IonicContact OE2-NH2 2.84Å; E329-R394 PolarHBondContact OE2-NH2 3.03Å |
| 395 | Y | 94.3 | Very high | 83.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.4 | 177.8 | 71.7 | -91 | 0 | 0 | 0 | 110.5 | V291 D293 E295 G296 I298 I318 L327 L328 | V291-Y395 HydrophobicContact CG1-CE1 3.9Å; V291-Y395 WeakPolarHBondContact CG1-OH 3.45Å; D293-Y395 VanDerWaalsContact O-CE2 3.29Å; D293-Y395 WeakPolarHBondContact O-CE2 3.37Å; D293-Y395 PolarHBondContact O-OH 2.92Å; E295-Y395 VanDerWaalsContact C-CE2 3.49Å; E295-Y395 CarbonylContact C-O 3.55Å; E295-Y395 WeakPolarHBondContact CA-O 3.29Å; E295-Y395 WeakPolarHBondContact CB-O 3Å; E295-Y395 PolarHBondContact O-OH 3.43Å; G296-Y395 VanDerWaalsContact CA-CZ 3.49Å; G296-Y395 VanDerWaalsContact N-CZ 3.31Å; G296-Y395 PolarHBondContact N-O 3.08Å; G296-Y395 WeakPolarHBondContact O-CD1 3.28Å; G296-Y395 PolarHBondContact O-N 3.03Å; I298-Y395 HydrophobicContact CD1-CD1 3.94Å; I298-Y395 HydrophobicContact CD1-CE1 4.24Å; I298-Y395 HydrophobicContact CG1-CD1 4.09Å; I298-Y395 HydrophobicContact CG1-CE1 4.12Å; I318-Y395 HydrophobicContact CD1-CD1 4.09Å; I318-Y395 HydrophobicContact CD1-CD2 4.37Å; I318-Y395 HydrophobicContact CD1-CG 3.82Å; I318-Y395 HydrophobicContact CG1-CD1 4.49Å; I318-Y395 HydrophobicContact CG1-CG 4.35Å; I318-Y395 HydrophobicContact CG2-CD2 3.56Å; I318-Y395 HydrophobicContact CG2-CE2 3.94Å; I318-Y395 HydrophobicContact CG2-CG 4.12Å; L327-Y395 CarbonylContact O-C 3.53Å; L327-Y395 VanDerWaalsContact O-CA 3.3Å; L327-Y395 WeakPolarHBondContact O-CA 3.38Å; L328-Y395 VanDerWaalsContact CD2-CB 3.43Å |
| 396 | R | 92.4 | Very high | 84.9 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.7 | 178.1 | -65.6 | -175.4 | -76.4 | 174.5 | 1 | 110.8 | S294 E295 L327 E329 I398 | S294-R396 CarbonylContact O-C 3.47Å; E295-R396 HydrophobicContact CB-CB 4.39Å; E295-R396 HydrophobicContact CB-CG 3.81Å; L327-R396 PolarHBondContact N-O 3.48Å; L327-R396 PolarHBondContact O-N 3.28Å; E329-R396 VanDerWaalsContact CD-NH2 3.26Å; E329-R396 IonicContact OE1-NH2 2.69Å; E329-R396 PolarHBondContact OE1-NH2 3.09Å; E329-R396 IonicContact OE2-CZ 3.4Å; E329-R396 IonicContact OE2-NE 2.7Å; E329-R396 PolarHBondContact OE2-NE 3.49Å; E329-R396 IonicContact OE2-NH2 3.98Å; E329-R396 PolarHBondContact OE2-NH2 3.5Å; R396-I398 HydrophobicContact CB-CG2 4.47Å |
| 397 | G | 90.7 | Very high | 85.6 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | S294 S325 | S294-G397 PolarHBondContact O-N 2.97Å; S325-G397 CarbonylContact O-C 3.47Å; S325-G397 WeakPolarHBondContact O-CA 3.27Å |
| 398 | I | 88.4 | Confident | 86.2 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.3 | -179.1 | 61.3 | 171.4 | 0 | 0 | 0 | 111.2 | H324 S325 L327 L369 R396 F402 | H324-I398 CarbonylContact C-O 3.56Å; H324-I398 VanDerWaalsContact CA-O 3.28Å; H324-I398 WeakPolarHBondContact CA-O 3.41Å; H324-I398 WeakPolarHBondContact CB-O 3.17Å; S325-I398 PolarHBondContact N-O 2.75Å; S325-I398 PolarHBondContact O-N 2.85Å; L327-I398 HydrophobicContact CB-CD1 4.21Å; L327-I398 HydrophobicContact CB-CG2 4.37Å; L369-I398 HydrophobicContact CD1-CD1 3.74Å; R396-I398 HydrophobicContact CB-CG2 4.47Å; I398-F402 HydrophobicContact CD1-CB 3.64Å; I398-F402 HydrophobicContact CD1-CD1 4.42Å; I398-F402 HydrophobicContact CD1-CD2 4.05Å; I398-F402 HydrophobicContact CD1-CG 3.79Å |
| 399 | K | 84.4 | Confident | 86.5 | Confident | 177 Ų | 177 | 47.1 Ų | 47.1 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.9 | 179.1 | -170.9 | 178.1 | 179.7 | -178.6 | 0 | 110.5 | ||
| 400 | G | 71.2 | Confident | 86.5 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 96.9 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F402 | G400-F402 PolarHBondContact O-N 3.06Š|
| 401 | S | 64.3 | Low | 86.4 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 73% | 0.734 | 25% | 0.253 | S | S | * | . | trans | -76.6 | 114.3 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | P403 | S401-P403 WeakPolarHBondContact O-CD 3.48Š| ||
| 402 | F | 68.8 | Low | 86.1 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | trans | -100.2 | 99.9 | 172.6 | -162.7 | -93.2 | 0 | 0 | 0 | 108.1 | L369 I398 G400 | L369-F402 HydrophobicContact CD2-CB 4.42Å; L369-F402 HydrophobicContact CD2-CD1 4.19Å; I398-F402 HydrophobicContact CD1-CB 3.64Å; I398-F402 HydrophobicContact CD1-CD1 4.42Å; I398-F402 HydrophobicContact CD1-CD2 4.05Å; I398-F402 HydrophobicContact CD1-CG 3.79Å; G400-F402 PolarHBondContact O-N 3.06Å | ||
| 403 | P | 69.4 | Low | 85.4 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 132.4 | 179.1 | 23 | -30.9 | 0 | 0 | 0 | 109 | S401 A405 | S401-P403 WeakPolarHBondContact O-CD 3.48Å; P403-A405 PolarHBondContact O-N 3.44Å |
| 404 | P | 72.9 | Confident | 84.6 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 123.3 | -179.7 | -23.4 | 33.4 | 0 | 0 | 0 | 110.7 | V410 L433 | P404-V410 HydrophobicContact CB-CG2 3.68Å; P404-V410 HydrophobicContact CG-CG2 3.74Å; P404-L433 HydrophobicContact CB-CD1 3.64Å; P404-L433 HydrophobicContact CB-CD2 3.91Å; P404-L433 HydrophobicContact CB-CG 4.4Å |
| 405 | A | 82.5 | Confident | 83.7 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -87 | 160.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P403 T408 L433 | P403-A405 PolarHBondContact O-N 3.44Å; A405-T408 WeakPolarHBondContact O-CB 3.47Å; A405-T408 PolarHBondContact O-N 2.83Å; A405-T408 PolarHBondContact O-OG1 3.47Å; A405-L433 WeakPolarHBondContact O-CD1 3.46Å |
| 406 | C | 89.8 | Confident | 83.1 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -53.2 | 143.5 | 168.7 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | R367 C431 | R367-C406 PolarHBondContact NH2-O 3.17Å; C406-C431 HydrophobicContact CB-CB 3.86Å; C406-C431 WeakPolarHBondContact CB-SG 3.23Å; C406-C431 WeakPolarHBondContact SG-CB 3.45Å; C406-C431 CovalentContact SG-SG 2.03Å; C406-C431 PolarHBondContact SG-SG 2.55Å |
| 407 | G | 90.8 | Very high | 82.7 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 75.1 | 32.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | A366 R367 A432 | A366-G407 WeakPolarHBondContact CB-O 3.47Å; R367-G407 PolarHBondContact N-O 2.83Å; R367-G407 VanDerWaalsContact N-O 3.11Å; G407-A432 VanDerWaalsContact CA-O 3.24Å; G407-A432 WeakPolarHBondContact CA-O 3.17Å; G407-A432 PolarHBondContact N-O 2.82Å |
| 408 | T | 93.4 | Very high | 82.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.3 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | R367 L369 A405 V410 L433 R434 | R367-T408 WeakPolarHBondContact CD-OG1 3.5Å; R367-T408 HydrophobicContact CG-CG2 3.67Å; R367-T408 VanDerWaalsContact CG-OG1 3.27Å; R367-T408 WeakPolarHBondContact CG-OG1 3.21Å; R367-T408 PolarHBondContact NE-OG1 2.85Å; R367-T408 CarbonylContact O-C 3.44Å; R367-T408 WeakPolarHBondContact O-CA 3.33Å; L369-T408 HydrophobicContact CB-CG2 3.9Å; A405-T408 WeakPolarHBondContact O-CB 3.47Å; A405-T408 PolarHBondContact O-N 2.83Å; A405-T408 PolarHBondContact O-OG1 3.47Å; T408-V410 HydrophobicContact CG2-CG2 3.79Å; T408-L433 WeakPolarHBondContact O-CD1 3.42Å; T408-R434 PolarHBondContact O-N 3.13Å |
| 409 | I | 94.8 | Very high | 82.9 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.8 | 166.6 | -58.2 | 166.1 | 0 | 0 | 0 | 107.4 | V356 A357 F359 A366 R367 V368 L369 R434 V436 | V356-I409 HydrophobicContact CG1-CG2 3.88Å; A357-I409 HydrophobicContact CB-CD1 4.01Å; F359-I409 HydrophobicContact CE1-CD1 3.78Å; F359-I409 HydrophobicContact CZ-CD1 3.76Å; A366-I409 HydrophobicContact CB-CD1 4.05Å; A366-I409 HydrophobicContact CB-CG1 4.02Å; R367-I409 PolarHBondContact O-N 2.89Å; V368-I409 CarbonylContact C-O 3.51Å; V368-I409 WeakPolarHBondContact CA-O 3.23Å; V368-I409 HydrophobicContact CG2-CB 4.34Å; V368-I409 HydrophobicContact CG2-CD1 4.49Å; L369-I409 PolarHBondContact N-O 3.19Å; I409-R434 CarbonylContact C-O 3.59Å; I409-R434 VanDerWaalsContact CA-O 3.3Å; I409-R434 WeakPolarHBondContact CA-O 3.31Å; I409-R434 HydrophobicContact CG1-CB 4.08Å; I409-R434 HydrophobicContact CG2-CB 4.43Å; I409-V436 HydrophobicContact CG2-CG2 4.05Å |
| 410 | V | 93.2 | Very high | 83.2 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.2 | -174.4 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | L369 Q371 P404 T408 V412 L433 R434 W435 V436 | L369-V410 HydrophobicContact CB-CG2 4.47Å; L369-V410 HydrophobicContact CD2-CG1 4.46Å; L369-V410 CarbonylContact O-C 3.53Å; L369-V410 WeakPolarHBondContact O-CA 3.41Å; Q371-V410 HydrophobicContact CB-CG1 4.18Å; P404-V410 HydrophobicContact CB-CG2 3.68Å; P404-V410 HydrophobicContact CG-CG2 3.74Å; T408-V410 HydrophobicContact CG2-CG2 3.79Å; V410-V412 HydrophobicContact CG1-CG2 4.06Å; V410-L433 HydrophobicContact CG2-CD1 4.31Å; V410-R434 PolarHBondContact N-O 2.66Å; V410-W435 CarbonylContact O-C 3.47Å; V410-W435 WeakPolarHBondContact O-CA 3.36Å; V410-V436 PolarHBondContact O-N 2.94Å |
| 411 | L | 92.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.1 | 166.4 | 174.6 | 63 | 0 | 0 | 0 | 109.6 | V356 L369 L370 Q371 E413 Y438 | V356-L411 HydrophobicContact CG1-CB 4.08Å; V356-L411 HydrophobicContact CG2-CB 3.97Å; V356-L411 HydrophobicContact CG2-CD1 4.03Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.15Å; L369-L411 PolarHBondContact O-N 3.06Å; L370-L411 HydrophobicContact CD2-CB 3.8Å; L370-L411 HydrophobicContact CD2-CD2 3.92Å; Q371-L411 WeakPolarHBondContact CB-O 3.49Å; L411-E413 HydrophobicContact CD1-CG 4.07Å; L411-E413 HydrophobicContact CD2-CG 4.19Å; L411-E413 HydrophobicContact CG-CG 3.97Å; L411-Y438 HydrophobicContact CD1-CD2 3.74Å; L411-Y438 HydrophobicContact CD1-CE2 4.2Å |
| 412 | V | 88.6 | Confident | 85.3 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.5 | 177 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V410 I416 L418 V436 I437 Y438 L515 | V410-V412 HydrophobicContact CG1-CG2 4.06Å; V412-I416 HydrophobicContact CG1-CG2 3.49Å; V412-I416 VanDerWaalsContact CG1-CG2 3.49Å; V412-L418 HydrophobicContact CG2-CD2 4.17Å; V412-V436 PolarHBondContact N-O 3.07Å; V412-I437 HydrophobicContact CB-CG1 4.24Å; V412-I437 WeakPolarHBondContact O-CA 3.41Å; V412-Y438 PolarHBondContact O-N 2.03Å; V412-L515 HydrophobicContact CG1-CD1 4.12Å |
| 413 | E | 79.4 | Confident | 86.3 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | trans | -115.8 | -4.2 | -177.2 | -59.4 | -165.1 | 99.2 | 0 | 0 | 114 | S351 R354 L411 | S351-E413 WeakPolarHBondContact CB-OE2 3.46Å; S351-E413 PolarHBondContact OG-OE2 3.37Å; R354-E413 IonicContact NH1-OE1 3.49Å; L411-E413 HydrophobicContact CD1-CG 4.07Å; L411-E413 HydrophobicContact CD2-CG 4.19Å; L411-E413 HydrophobicContact CG-CG 3.97Å | ||
| 414 | D | 80.8 | Confident | 87.4 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -114.7 | 161.3 | -177.7 | -63.6 | -47.4 | 0 | 0 | 0 | 112 | I416 | D414-I416 PolarHBondContact O-N 3.04Š|
| 415 | Q | 76 | Confident | 88.4 | Confident | 114 Ų | 114 | 49.3 Ų | 49.3 | 53% | 0.533 | 27% | 0.266 | S | S | . | . | trans | -72 | 113.6 | 166.7 | -67.7 | -173.6 | -11.9 | 0 | 0 | 108.8 | F517 | Q415-F517 HydrophobicContact CG-CD2 3.73Å; Q415-F517 HydrophobicContact CG-CE2 3.82Å; Q415-F517 HydrophobicContact CG-CG 4.23Å; Q415-F517 HydrophobicContact CG-CZ 4.38Å | ||
| 416 | I | 80.9 | Confident | 88.9 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -145.9 | 160.2 | -172.6 | -167.2 | 168.5 | 0 | 0 | 0 | 110.5 | V412 D414 L418 L515 | V412-I416 HydrophobicContact CG1-CG2 3.49Å; V412-I416 VanDerWaalsContact CG1-CG2 3.49Å; D414-I416 PolarHBondContact O-N 3.04Å; I416-L418 HydrophobicContact CG2-CD2 3.85Å; I416-L418 HydrophobicContact CG2-CG 4.45Å; I416-L515 HydrophobicContact CG2-CD1 4.15Å; I416-L515 PolarHBondContact O-N 2.81Å | ||
| 417 | S | 85.3 | Confident | 89.1 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.3 | 165.4 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | Y419 A513 | S417-Y419 VanDerWaalsContact CB-CZ 3.44Å; S417-Y419 WeakPolarHBondContact CB-OH 3.48Å; S417-Y419 VanDerWaalsContact O-CE2 3.24Å; S417-Y419 WeakPolarHBondContact O-CE2 3.2Å; S417-A513 CarbonylContact C-O 3.6Å; S417-A513 VanDerWaalsContact CA-O 3.24Å; S417-A513 WeakPolarHBondContact CA-O 3.12Å |
| 418 | L | 90.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 145.9 | 175.4 | -60.1 | -177 | 0 | 0 | 0 | 109.9 | V412 I416 W435 L498 S512 A513 L515 | V412-L418 HydrophobicContact CG2-CD2 4.17Å; I416-L418 HydrophobicContact CG2-CD2 3.85Å; I416-L418 HydrophobicContact CG2-CG 4.45Å; L418-W435 HydrophobicContact CD1-CB 4.25Å; L418-W435 HydrophobicContact CD1-CD2 4.36Å; L418-W435 HydrophobicContact CD1-CG 3.99Å; L418-L498 HydrophobicContact CD1-CD1 3.72Å; L418-S512 WeakPolarHBondContact O-CA 3.28Å; L418-A513 PolarHBondContact N-O 2.66Å; L418-A513 PolarHBondContact O-N 3.07Å; L418-L515 HydrophobicContact CD1-CD1 3.64Å; L418-L515 HydrophobicContact CD1-CD2 4.49Å; L418-L515 HydrophobicContact CD1-CG 4.15Å; L418-L515 HydrophobicContact CD2-CD1 4.4Å; L418-L515 HydrophobicContact CG-CD1 3.88Å; L418-L515 HydrophobicContact CG-CG 4.35Å |
| 419 | Y | 91.1 | Very high | 89.4 | Confident | 113 Ų | 113 | 53 Ų | 53 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.8 | -178.6 | -44.7 | -88.5 | 0 | 0 | 0 | 109.8 | S417 Y423 W435 F511 S512 | S417-Y419 VanDerWaalsContact CB-CZ 3.44Å; S417-Y419 WeakPolarHBondContact CB-OH 3.48Å; S417-Y419 VanDerWaalsContact O-CE2 3.24Å; S417-Y419 WeakPolarHBondContact O-CE2 3.2Å; Y419-Y423 AromaticContact CD1-CD1 3.84Å; Y419-Y423 HydrophobicContact CD1-CD1 3.84Å; Y419-Y423 HydrophobicContact CD1-CE1 4.2Å; Y419-Y423 HydrophobicContact CG-CD1 4.48Å; Y419-W435 WeakPolarHBondContact O-CZ2 3.39Å; Y419-F511 WeakPolarHBondContact CA-O 3.31Å; Y419-S512 WeakPolarHBondContact CD1-OG 3.4Å; Y419-S512 VanDerWaalsContact CE1-OG 3.23Å; Y419-S512 WeakPolarHBondContact CE1-OG 3.4Å |
| 420 | T | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | trans | -60.8 | 151.5 | 165 | 43.4 | 0 | 0 | 0 | 0 | 110.7 | N422 Y423 F500 G510 F511 | T420-N422 PolarHBondContact O-N 3.24Å; T420-Y423 VanDerWaalsContact O-CB 3.25Å; T420-Y423 WeakPolarHBondContact O-CB 3.49Å; T420-Y423 PolarHBondContact O-N 3.39Å; T420-F500 HydrophobicContact CG2-CD1 4.49Å; T420-F500 HydrophobicContact CG2-CD2 4.49Å; T420-F500 HydrophobicContact CG2-CE1 4.43Å; T420-F500 HydrophobicContact CG2-CE2 4.44Å; T420-F500 HydrophobicContact CG2-CZ 4.41Å; T420-G510 VanDerWaalsContact OG1-CA 3.31Å; T420-G510 WeakPolarHBondContact OG1-CA 3.38Å; T420-F511 HydrophobicContact CG2-CD1 3.26Å; T420-F511 HydrophobicContact CG2-CD2 4.32Å; T420-F511 HydrophobicContact CG2-CE1 3.25Å; T420-F511 HydrophobicContact CG2-CE2 4.31Å; T420-F511 HydrophobicContact CG2-CG 3.82Å; T420-F511 HydrophobicContact CG2-CZ 3.81Å; T420-F511 PolarHBondContact N-O 3.29Å; T420-F511 VanDerWaalsContact N-O 3.08Å; T420-F511 PolarHBondContact OG1-N 3.09Å; T420-F511 PolarHBondContact OG1-O 3.35Å | ||
| 421 | P | 89.4 | Confident | 89.4 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 142.2 | 172.6 | -26.8 | 36.2 | 0 | 0 | 0 | 111.5 | Y423 L433 | P421-Y423 PolarHBondContact O-N 2.88Å; P421-Y423 VanDerWaalsContact O-N 3.15Å; P421-L433 HydrophobicContact CG-CD2 3.76Å |
| 422 | N | 89.6 | Confident | 89.5 | Confident | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -4.4 | -178.6 | -47.9 | -36.5 | 0 | 0 | 0 | 116.7 | T420 Q425 S426 S428 | T420-N422 PolarHBondContact O-N 3.24Å; N422-Q425 CarbonylContact C-O 3.46Å; N422-Q425 HydrophobicContact CB-CB 4.25Å; N422-Q425 WeakPolarHBondContact O-CA 3.5Å; N422-Q425 VanDerWaalsContact O-CB 3.26Å; N422-Q425 WeakPolarHBondContact O-CB 3.28Å; N422-Q425 PolarHBondContact O-N 3.01Å; N422-S426 PolarHBondContact ND2-O 3.23Å; N422-S428 PolarHBondContact ND2-OG 2.04Å |
| 423 | Y | 90.6 | Very high | 89.7 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 131.7 | 179.8 | -176.9 | -88.6 | 0 | 0 | 0 | 111.4 | Y419 T420 P421 D451 R509 | Y419-Y423 AromaticContact CD1-CD1 3.84Å; Y419-Y423 HydrophobicContact CD1-CD1 3.84Å; Y419-Y423 HydrophobicContact CD1-CE1 4.2Å; Y419-Y423 HydrophobicContact CG-CD1 4.48Å; T420-Y423 VanDerWaalsContact O-CB 3.25Å; T420-Y423 WeakPolarHBondContact O-CB 3.49Å; T420-Y423 PolarHBondContact O-N 3.39Å; P421-Y423 PolarHBondContact O-N 2.88Å; P421-Y423 VanDerWaalsContact O-N 3.15Å; Y423-D451 HydrophobicContact CE2-CB 4.32Å; Y423-D451 WeakPolarHBondContact OH-CB 3.47Å; Y423-D451 PolarHBondContact OH-OD2 3.22Å; Y423-R509 WeakPolarHBondContact CD2-O 3.48Å |
| 424 | P | 92.3 | Very high | 90.5 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88 | 5.2 | 13.1 | 36 | -37.4 | 0 | 0 | 0 | 115.8 | ||
| 425 | Q | 93 | Very high | 91.2 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 65% | 0.654 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -76.6 | 162.4 | 171.5 | -57.6 | -63 | -6.9 | 0 | 0 | 111.2 | N422 Y427 | N422-Q425 CarbonylContact C-O 3.46Å; N422-Q425 HydrophobicContact CB-CB 4.25Å; N422-Q425 WeakPolarHBondContact O-CA 3.5Å; N422-Q425 VanDerWaalsContact O-CB 3.26Å; N422-Q425 WeakPolarHBondContact O-CB 3.28Å; N422-Q425 PolarHBondContact O-N 3.01Å; Q425-Y427 PolarHBondContact O-N 2.89Å |
| 426 | S | 93.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.3 | -179.1 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | N422 R508 | N422-S426 PolarHBondContact ND2-O 3.23Å; S426-R508 WeakPolarHBondContact CA-O 3.13Å; S426-R508 VanDerWaalsContact CB-O 3.28Å; S426-R508 WeakPolarHBondContact CB-O 3.49Å; S426-R508 PolarHBondContact OG-O 3.04Å |
| 427 | Y | 94.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65 | 164 | 170.3 | 52.4 | -97.3 | 0 | 0 | 0 | 110.2 | Q425 L454 E455 D463 F500 T507 R508 | Q425-Y427 PolarHBondContact O-N 2.89Å; Y427-L454 HydrophobicContact CD1-CD2 4.18Å; Y427-L454 HydrophobicContact CE1-CD2 3.47Å; Y427-L454 VanDerWaalsContact CE1-CD2 3.47Å; Y427-E455 PolarHBondContact OH-N 2.9Å; Y427-D463 WeakPolarHBondContact CE2-OD2 3.27Å; Y427-D463 VanDerWaalsContact CZ-OD2 3.22Å; Y427-D463 PolarHBondContact OH-OD2 3.01Å; Y427-F500 AromaticContact CD1-CZ 3.95Å; Y427-F500 HydrophobicContact CD1-CZ 3.95Å; Y427-F500 HydrophobicContact CD2-CE1 4.42Å; Y427-F500 AromaticContact CD2-CZ 3.78Å; Y427-F500 HydrophobicContact CD2-CZ 3.78Å; Y427-F500 HydrophobicContact CE1-CZ 4.28Å; Y427-F500 HydrophobicContact CE2-CZ 4.14Å; Y427-F500 HydrophobicContact CG-CE1 4.23Å; Y427-F500 AromaticContact CG-CZ 3.68Å; Y427-F500 HydrophobicContact CG-CZ 3.68Å; Y427-T507 HydrophobicContact CD2-CG2 4.04Å; Y427-T507 HydrophobicContact CE2-CG2 4.05Å; Y427-T507 WeakPolarHBondContact O-CB 3.37Å; Y427-T507 WeakPolarHBondContact O-CG2 3.42Å; Y427-R508 WeakPolarHBondContact CD1-O 3.35Å; Y427-R508 HydrophobicContact CE1-CB 3.96Å; Y427-R508 WeakPolarHBondContact CE1-O 3.26Å; Y427-R508 PolarHBondContact N-O 3.37Å; Y427-R508 WeakPolarHBondContact OH-CB 3.26Å; Y427-R508 PolarHBondContact OH-N 3.22Å |
| 428 | S | 94.6 | Very high | 93 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 153 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | N422 C431 S502 | N422-S428 PolarHBondContact ND2-OG 2.04Å; S428-C431 WeakPolarHBondContact O-CB 3.48Å; S428-S502 PolarHBondContact O-OG 3Å |
| 429 | N | 94.9 | Very high | 93 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 159.9 | 165 | -69.7 | -20.8 | 0 | 0 | 0 | 111.1 | C431 D503 S504 R505 T507 | N429-C431 PolarHBondContact O-N 3.37Å; N429-C431 VanDerWaalsContact O-N 3.15Å; N429-D503 CarbonylContact C-O 3.52Å; N429-D503 VanDerWaalsContact CA-O 3.25Å; N429-D503 WeakPolarHBondContact CA-O 3.5Å; N429-D503 VanDerWaalsContact CB-O 3.28Å; N429-D503 WeakPolarHBondContact CB-O 3.37Å; N429-S504 VanDerWaalsContact CG-C 3.49Å; N429-S504 PolarHBondContact ND2-O 3.19Å; N429-R505 PolarHBondContact OD1-O 2.83Å; N429-T507 WeakPolarHBondContact OD1-CG2 3.48Å |
| 430 | D | 94.1 | Very high | 92.9 | Very high | 122 Ų | 122 | 42.1 Ų | 42.1 | 65% | 0.652 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.9 | 175.3 | -54.4 | -61.9 | 0 | 0 | 0 | 112.9 | S502 D503 | D430-S502 WeakPolarHBondContact CA-O 3.33Å; D430-S502 PolarHBondContact N-OG 3.12Å; D430-D503 PolarHBondContact N-O 3.42Å |
| 431 | C | 93.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | trans | -96.4 | 124.3 | -176.6 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | C406 S428 N429 F500 T501 S502 | C406-C431 HydrophobicContact CB-CB 3.86Å; C406-C431 WeakPolarHBondContact CB-SG 3.23Å; C406-C431 WeakPolarHBondContact SG-CB 3.45Å; C406-C431 CovalentContact SG-SG 2.03Å; C406-C431 PolarHBondContact SG-SG 2.55Å; S428-C431 WeakPolarHBondContact O-CB 3.48Å; N429-C431 PolarHBondContact O-N 3.37Å; N429-C431 VanDerWaalsContact O-N 3.15Å; C431-F500 HydrophobicContact CB-CE1 4.25Å; C431-T501 CarbonylContact O-C 3.56Å; C431-T501 WeakPolarHBondContact O-CA 3.36Å; C431-S502 WeakPolarHBondContact CB-OG 3.29Å; C431-S502 PolarHBondContact N-OG 2.74Å; C431-S502 PolarHBondContact O-N 3.24Å | ||
| 432 | A | 94.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G407 F500 T501 | G407-A432 VanDerWaalsContact CA-O 3.24Å; G407-A432 WeakPolarHBondContact CA-O 3.17Å; G407-A432 PolarHBondContact N-O 2.82Å; A432-F500 CarbonylContact C-O 3.55Å; A432-F500 WeakPolarHBondContact CA-O 3.31Å; A432-T501 HydrophobicContact CB-CG2 4.44Å |
| 433 | L | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.5 | -179.7 | -176.2 | 66.5 | 0 | 0 | 0 | 110.1 | P404 A405 T408 V410 P421 W435 F500 | P404-L433 HydrophobicContact CB-CD1 3.64Å; P404-L433 HydrophobicContact CB-CD2 3.91Å; P404-L433 HydrophobicContact CB-CG 4.4Å; A405-L433 WeakPolarHBondContact O-CD1 3.46Å; T408-L433 WeakPolarHBondContact O-CD1 3.42Å; V410-L433 HydrophobicContact CG2-CD1 4.31Å; P421-L433 HydrophobicContact CG-CD2 3.76Å; L433-W435 HydrophobicContact CB-CH2 4.41Å; L433-W435 HydrophobicContact CB-CZ3 4.48Å; L433-W435 HydrophobicContact CD2-CH2 3.36Å; L433-W435 HydrophobicContact CD2-CZ2 3.15Å; L433-W435 HydrophobicContact CD2-CZ3 4.13Å; L433-W435 HydrophobicContact CG-CD2 4.45Å; L433-W435 HydrophobicContact CG-CE3 4.44Å; L433-W435 HydrophobicContact CG-CH2 3.89Å; L433-W435 HydrophobicContact CG-CZ2 3.85Å; L433-W435 HydrophobicContact CG-CZ3 4.16Å; L433-F500 PolarHBondContact N-O 3.28Å; L433-F500 PolarHBondContact O-N 3.37Å |
| 434 | R | 95.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 43.2 Ų | 43.2 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.7 | -176 | -164.7 | 171.6 | 178.5 | 161.5 | 0.3 | 110.6 | T408 I409 V410 I471 V497 L498 | T408-R434 PolarHBondContact O-N 3.13Å; I409-R434 CarbonylContact C-O 3.59Å; I409-R434 VanDerWaalsContact CA-O 3.3Å; I409-R434 WeakPolarHBondContact CA-O 3.31Å; I409-R434 HydrophobicContact CG1-CB 4.08Å; I409-R434 HydrophobicContact CG2-CB 4.43Å; V410-R434 PolarHBondContact N-O 2.66Å; R434-I471 PolarHBondContact NH2-O 3.35Å; R434-V497 HydrophobicContact CG-CG1 3.76Å; R434-L498 CarbonylContact C-O 3.57Å; R434-L498 WeakPolarHBondContact CA-O 3.34Å; R434-L498 WeakPolarHBondContact CG-O 3.22Å |
| 435 | W | 94.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.3 | 170.6 | -59.4 | -94.8 | 0 | 0 | 0 | 109.4 | V410 L418 Y419 L433 I437 V497 L498 F500 F511 | V410-W435 CarbonylContact O-C 3.47Å; V410-W435 WeakPolarHBondContact O-CA 3.36Å; L418-W435 HydrophobicContact CD1-CB 4.25Å; L418-W435 HydrophobicContact CD1-CD2 4.36Å; L418-W435 HydrophobicContact CD1-CG 3.99Å; Y419-W435 WeakPolarHBondContact O-CZ2 3.39Å; L433-W435 HydrophobicContact CB-CH2 4.41Å; L433-W435 HydrophobicContact CB-CZ3 4.48Å; L433-W435 HydrophobicContact CD2-CH2 3.36Å; L433-W435 HydrophobicContact CD2-CZ2 3.15Å; L433-W435 HydrophobicContact CD2-CZ3 4.13Å; L433-W435 HydrophobicContact CG-CD2 4.45Å; L433-W435 HydrophobicContact CG-CE3 4.44Å; L433-W435 HydrophobicContact CG-CH2 3.89Å; L433-W435 HydrophobicContact CG-CZ2 3.85Å; L433-W435 HydrophobicContact CG-CZ3 4.16Å; W435-I437 HydrophobicContact CB-CD1 3.83Å; W435-I437 WeakPolarHBondContact O-CD1 3.45Å; W435-V497 CarbonylContact O-C 3.17Å; W435-V497 VanDerWaalsContact O-CA 3.28Å; W435-V497 WeakPolarHBondContact O-CA 3.42Å; W435-L498 HydrophobicContact CB-CB 4.25Å; W435-L498 HydrophobicContact CE3-CB 3.77Å; W435-L498 PolarHBondContact N-O 2.99Å; W435-L498 PolarHBondContact O-N 2.04Å; W435-F500 HydrophobicContact CH2-CB 4.31Å; W435-F500 HydrophobicContact CZ3-CB 3.82Å; W435-F511 HydrophobicContact CH2-CE2 4.29Å; W435-F511 AromaticContact CH2-CZ 3.66Å; W435-F511 HydrophobicContact CH2-CZ 3.66Å; W435-F511 AromaticContact CZ3-CZ 3.78Å; W435-F511 HydrophobicContact CZ3-CZ 3.78Å |
| 436 | V | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.5 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | V356 I409 V410 V412 Y438 I471 I495 V497 | V356-V436 HydrophobicContact CG1-CB 4.24Å; V356-V436 HydrophobicContact CG1-CG2 4.14Å; V356-V436 WeakPolarHBondContact O-CG2 3.5Å; I409-V436 HydrophobicContact CG2-CG2 4.05Å; V410-V436 PolarHBondContact O-N 2.94Å; V412-V436 PolarHBondContact N-O 3.07Å; V436-Y438 HydrophobicContact CG1-CD2 4.16Å; V436-Y438 HydrophobicContact CG1-CE2 3.66Å; V436-I471 HydrophobicContact CG1-CG2 4.04Å; V436-I495 HydrophobicContact CG1-CD1 4.3Å; V436-V497 HydrophobicContact CG1-CG2 4.25Å; V436-V497 HydrophobicContact CG2-CG1 4.21Å; V436-V497 HydrophobicContact CG2-CG2 4.33Å |
| 437 | I | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.7 | -173.4 | -54.1 | 91.2 | 0 | 0 | 0 | 108.7 | V412 W435 V445 I495 M496 L498 L515 F517 | V412-I437 HydrophobicContact CB-CG1 4.24Å; V412-I437 WeakPolarHBondContact O-CA 3.41Å; W435-I437 HydrophobicContact CB-CD1 3.83Å; W435-I437 WeakPolarHBondContact O-CD1 3.45Å; I437-V445 HydrophobicContact CG2-CG1 3.97Å; I437-V445 HydrophobicContact CG2-CG2 4.11Å; I437-I495 WeakPolarHBondContact O-CA 3.04Å; I437-M496 HydrophobicContact CB-CB 4.47Å; I437-M496 WeakPolarHBondContact CB-O 3.31Å; I437-M496 VanDerWaalsContact CD1-O 3.27Å; I437-M496 WeakPolarHBondContact CD1-O 3.3Å; I437-M496 PolarHBondContact N-O 2.88Å; I437-M496 PolarHBondContact O-N 3.02Å; I437-L498 HydrophobicContact CD1-CD1 4.06Å; I437-L498 HydrophobicContact CD1-CG 3.76Å; I437-L515 HydrophobicContact CG1-CD1 3.8Å; I437-L515 HydrophobicContact CG1-CD2 4.35Å; I437-L515 HydrophobicContact CG2-CD1 4.05Å; I437-F517 HydrophobicContact CG2-CE1 4.07Å; I437-F517 HydrophobicContact CG2-CZ 4.45Å |
| 438 | Y | 92.1 | Very high | 93 | Very high | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | 171.9 | -75.4 | -76.6 | 0 | 0 | 0 | 111.8 | R354 P355 L411 V412 V436 S494 I495 | R354-Y438 HydrophobicContact CB-CD2 4.02Å; R354-Y438 HydrophobicContact CB-CE1 4.5Å; R354-Y438 HydrophobicContact CB-CE2 3.73Å; P355-Y438 WeakPolarHBondContact CD-OH 3.45Å; P355-Y438 PolarHBondContact O-OH 2.96Å; L411-Y438 HydrophobicContact CD1-CD2 3.74Å; L411-Y438 HydrophobicContact CD1-CE2 4.2Å; V412-Y438 PolarHBondContact O-N 2.03Å; V436-Y438 HydrophobicContact CG1-CD2 4.16Å; V436-Y438 HydrophobicContact CG1-CE2 3.66Å; Y438-S494 WeakPolarHBondContact CA-O 3.31Å; Y438-I495 HydrophobicContact CD1-CB 3.95Å; Y438-I495 HydrophobicContact CD1-CD1 4.4Å; Y438-I495 HydrophobicContact CD1-CG1 4.1Å; Y438-I495 HydrophobicContact CE1-CB 3.77Å; Y438-I495 HydrophobicContact CE1-CD1 3.58Å; Y438-I495 HydrophobicContact CE1-CG1 3.76Å; Y438-I495 HydrophobicContact CE2-CD1 4.36Å; Y438-I495 WeakPolarHBondContact OH-CD1 3.46Å |
| 439 | S | 90.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 164 | 169.9 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | R354 H443 S494 | R354-S439 PolarHBondContact NH1-O 2.81Å; R354-S439 PolarHBondContact NH2-O 2.9Å; S439-H443 PolarHBondContact OG-O 3.18Å; S439-S494 PolarHBondContact N-O 3.47Å; S439-S494 WeakPolarHBondContact OG-CA 3.5Å; S439-S494 WeakPolarHBondContact OG-CB 2.97Å; S439-S494 PolarHBondContact OG-O 2.98Å |
| 440 | P | 89.1 | Confident | 93.1 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -58 | 155 | 164.5 | -24.4 | 34.6 | 0 | 0 | 0 | 111.9 | G442 H443 F517 | P440-G442 PolarHBondContact O-N 3.13Å; P440-H443 WeakPolarHBondContact O-CB 3.22Å; P440-H443 PolarHBondContact O-N 2.89Å; P440-F517 HydrophobicContact CG-CD2 4.06Å; P440-F517 HydrophobicContact CG-CE2 4.43Å |
| 441 | P | 85.2 | Confident | 93.2 | Very high | 105 Ų | 105 | 29.4 Ų | 29.4 | 68% | 0.682 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 138.7 | 172.9 | -25.9 | 35 | 0 | 0 | 0 | 111.9 | H443 | P441-H443 VanDerWaalsContact C-N 3.33Å; P441-H443 PolarHBondContact O-N 3.39Å; P441-H443 PolarHBondContact O-ND1 3.23Å; P441-H443 VanDerWaalsContact O-ND1 3.09Å |
| 442 | G | 84.4 | Confident | 93.4 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P440 I520 | P440-G442 PolarHBondContact O-N 3.13Å; G442-I520 VanDerWaalsContact O-CG1 3.23Å; G442-I520 WeakPolarHBondContact O-CG1 3.31Å; G442-I520 PolarHBondContact O-N 3.18Å |
| 443 | H | 90.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.4 | 178.2 | -65.7 | 67.9 | 0 | 0 | 0 | 112.1 | S439 P440 P441 F517 I518 S519 | S439-H443 PolarHBondContact OG-O 3.18Å; P440-H443 WeakPolarHBondContact O-CB 3.22Å; P440-H443 PolarHBondContact O-N 2.89Å; P441-H443 VanDerWaalsContact C-N 3.33Å; P441-H443 PolarHBondContact O-N 3.39Å; P441-H443 PolarHBondContact O-ND1 3.23Å; P441-H443 VanDerWaalsContact O-ND1 3.09Å; H443-F517 HydrophobicContact CB-CB 4.12Å; H443-I518 CarbonylContact C-O 3.54Å; H443-I518 WeakPolarHBondContact CA-O 3.38Å; H443-S519 PolarHBondContact CD2-N 3.16Å |
| 444 | L | 92.2 | Very high | 93.7 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 154.5 | 165.7 | -57.9 | 178.9 | 0 | 0 | 0 | 110.1 | F517 I518 I520 L525 | L444-F517 CarbonylContact O-C 3.59Å; L444-F517 VanDerWaalsContact O-CA 3.3Å; L444-F517 WeakPolarHBondContact O-CA 3.39Å; L444-I518 PolarHBondContact N-O 3.25Å; L444-I518 PolarHBondContact O-N 3.01Å; L444-I520 HydrophobicContact CD1-CG2 4.2Å; L444-I520 HydrophobicContact CD2-CG2 4.25Å; L444-I520 HydrophobicContact CG-CG2 3.72Å; L444-L525 HydrophobicContact CD1-CD1 4.12Å |
| 445 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.4 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 109 | I437 S491 M496 L515 F517 | I437-V445 HydrophobicContact CG2-CG1 3.97Å; I437-V445 HydrophobicContact CG2-CG2 4.11Å; V445-S491 PolarHBondContact N-OG 2.9Å; V445-S491 PolarHBondContact O-N 3.24Å; V445-S491 PolarHBondContact O-OG 2.67Å; V445-M496 HydrophobicContact CB-CB 3.84Å; V445-M496 HydrophobicContact CB-CE 4.12Å; V445-M496 HydrophobicContact CB-SD 4.35Å; V445-M496 HydrophobicContact CG1-CB 3.9Å; V445-M496 HydrophobicContact CG1-CE 4.12Å; V445-M496 HydrophobicContact CG1-CG 4.49Å; V445-M496 HydrophobicContact CG1-SD 3.81Å; V445-M496 HydrophobicContact CG2-CB 4.08Å; V445-M496 WeakPolarHBondContact O-CE 3.47Å; V445-L515 HydrophobicContact CG1-CD2 3.96Å; V445-F517 HydrophobicContact CG1-CE1 4.4Å; V445-F517 HydrophobicContact CG2-CD1 4.27Å; V445-F517 HydrophobicContact CG2-CE1 4.15Å |
| 446 | K | 95.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 30% | 0.296 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 170.3 | -177.8 | -166.9 | -172.3 | 178.1 | 0 | 109.3 | T448 V489 L490 T516 I518 | K446-T448 HydrophobicContact CD-CG2 4.18Å; K446-T448 HydrophobicContact CG-CG2 4.28Å; K446-V489 WeakPolarHBondContact CA-O 3.48Å; K446-L490 HydrophobicContact CB-CD2 3.63Å; K446-L490 HydrophobicContact CG-CD2 3.72Å; K446-T516 PolarHBondContact N-O 3.22Å; K446-T516 PolarHBondContact O-N 3.19Å; K446-I518 HydrophobicContact CB-CD1 3.88Å; K446-I518 HydrophobicContact CB-CG1 4.06Å; K446-I518 HydrophobicContact CD-CD1 4.03Å; K446-I518 HydrophobicContact CG-CD1 4.29Å |
| 447 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.5 | 173.1 | -177.1 | 68.4 | 0 | 0 | 0 | 109.6 | F449 V467 P488 V489 M496 L498 A513 L515 | L447-F449 HydrophobicContact CD2-CE1 4.31Å; L447-F449 HydrophobicContact CD2-CE2 3.86Å; L447-F449 HydrophobicContact CD2-CZ 3.45Å; L447-F449 VanDerWaalsContact CD2-CZ 3.45Å; L447-F449 HydrophobicContact CG-CE2 4.05Å; L447-F449 HydrophobicContact CG-CZ 3.91Å; L447-V467 HydrophobicContact CD2-CG2 4.11Å; L447-P488 CarbonylContact O-C 3.59Å; L447-P488 VanDerWaalsContact O-CA 3.24Å; L447-P488 WeakPolarHBondContact O-CA 3.47Å; L447-V489 HydrophobicContact CB-CB 4.3Å; L447-V489 PolarHBondContact N-O 3.28Å; L447-V489 PolarHBondContact O-N 2.83Å; L447-M496 HydrophobicContact CB-CE 4.28Å; L447-M496 HydrophobicContact CB-SD 3.88Å; L447-M496 HydrophobicContact CD2-SD 4.49Å; L447-L498 HydrophobicContact CD1-CD1 3.9Å; L447-L498 HydrophobicContact CD2-CD1 4.34Å; L447-L498 HydrophobicContact CD2-CD2 3.64Å; L447-A513 HydrophobicContact CD1-CB 3.76Å; L447-L515 HydrophobicContact CD1-CD2 3.8Å |
| 448 | T | 96.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.4 | 174.6 | 50.3 | 0 | 0 | 0 | 0 | 110 | K446 P488 A513 G514 | K446-T448 HydrophobicContact CD-CG2 4.18Å; K446-T448 HydrophobicContact CG-CG2 4.28Å; T448-P488 HydrophobicContact CG2-CB 3.97Å; T448-P488 HydrophobicContact CG2-CG 4.09Å; T448-A513 CarbonylContact O-C 3.44Å; T448-A513 WeakPolarHBondContact O-CA 3.44Å; T448-A513 WeakPolarHBondContact O-CB 3.49Å; T448-G514 PolarHBondContact N-O 3.45Å; T448-G514 PolarHBondContact O-N 3.1Å; T448-G514 PolarHBondContact OG1-O 2.9Å |
| 449 | F | 97.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.6 | -179.1 | -62.4 | -85.2 | 0 | 0 | 0 | 110.8 | L447 F452 L465 L480 I485 P486 F511 A513 | L447-F449 HydrophobicContact CD2-CE1 4.31Å; L447-F449 HydrophobicContact CD2-CE2 3.86Å; L447-F449 HydrophobicContact CD2-CZ 3.45Å; L447-F449 VanDerWaalsContact CD2-CZ 3.45Å; L447-F449 HydrophobicContact CG-CE2 4.05Å; L447-F449 HydrophobicContact CG-CZ 3.91Å; F449-F452 AromaticContact CD1-CD2 3.69Å; F449-F452 HydrophobicContact CD1-CD2 3.69Å; F449-F452 HydrophobicContact CD1-CE2 4.42Å; F449-F452 AromaticContact CE1-CD2 3.77Å; F449-F452 HydrophobicContact CE1-CD2 3.77Å; F449-F452 HydrophobicContact CE1-CE2 4.04Å; F449-F452 HydrophobicContact CG-CD2 4.3Å; F449-F452 HydrophobicContact CZ-CD2 4.42Å; F449-F452 HydrophobicContact CZ-CE2 4.43Å; F449-L465 HydrophobicContact CE1-CD2 3.55Å; F449-L465 HydrophobicContact CZ-CD2 3.55Å; F449-L480 HydrophobicContact CE2-CD1 3.8Å; F449-L480 HydrophobicContact CZ-CD1 3.74Å; F449-I485 HydrophobicContact CB-CG2 3.97Å; F449-P486 HydrophobicContact CD2-CB 3.98Å; F449-P486 HydrophobicContact CD2-CG 4.07Å; F449-P486 HydrophobicContact CE2-CB 4.04Å; F449-P486 HydrophobicContact CE2-CG 4.17Å; F449-F511 HydrophobicContact CD1-CB 4.34Å; F449-F511 HydrophobicContact CD1-CD2 4.47Å; F449-F511 HydrophobicContact CE1-CD2 4.23Å; F449-F511 HydrophobicContact CE1-CG 4.37Å; F449-A513 HydrophobicContact CD1-CB 3.75Å; F449-A513 HydrophobicContact CE1-CB 3.88Å |
| 450 | A | 95.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -34.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S512 | A450-S512 PolarHBondContact N-O 2.93Å |
| 451 | D | 96.5 | Very high | 94.3 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148 | 170.8 | -164 | 3.9 | 0 | 0 | 0 | 108.5 | Y423 R509 F511 S512 | Y423-D451 HydrophobicContact CE2-CB 4.32Å; Y423-D451 WeakPolarHBondContact OH-CB 3.47Å; Y423-D451 PolarHBondContact OH-OD2 3.22Å; D451-R509 IonicContact OD1-CZ 3.38Å; D451-R509 IonicContact OD1-NH1 2.84Å; D451-R509 IonicContact OD1-NH2 3.08Å; D451-R509 PolarHBondContact OD1-NH2 3.36Å; D451-R509 VanDerWaalsContact OD1-NH2 3.08Å; D451-R509 IonicContact OD2-CZ 3.93Å; D451-R509 IonicContact OD2-NH1 3.91Å; D451-R509 PolarHBondContact OD2-NH1 3.07Å; D451-R509 IonicContact OD2-NH2 3.31Å; D451-R509 PolarHBondContact OD2-NH2 2.93Å; D451-F511 VanDerWaalsContact O-CA 3.3Å; D451-F511 WeakPolarHBondContact O-CA 3.26Å; D451-F511 WeakPolarHBondContact O-CB 3.06Å; D451-S512 PolarHBondContact N-O 3.43Å; D451-S512 PolarHBondContact O-N 2.86Å |
| 452 | F | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 117.1 | -179.2 | -168.7 | -88.6 | 0 | 0 | 0 | 110.9 | F449 L454 L465 L480 G482 G483 S484 P486 F511 | F449-F452 AromaticContact CD1-CD2 3.69Å; F449-F452 HydrophobicContact CD1-CD2 3.69Å; F449-F452 HydrophobicContact CD1-CE2 4.42Å; F449-F452 AromaticContact CE1-CD2 3.77Å; F449-F452 HydrophobicContact CE1-CD2 3.77Å; F449-F452 HydrophobicContact CE1-CE2 4.04Å; F449-F452 HydrophobicContact CG-CD2 4.3Å; F449-F452 HydrophobicContact CZ-CD2 4.42Å; F449-F452 HydrophobicContact CZ-CE2 4.43Å; F452-L454 HydrophobicContact CE1-CB 4.39Å; F452-L454 HydrophobicContact CE1-CD1 4.35Å; F452-L454 HydrophobicContact CE1-CG 4.1Å; F452-L454 HydrophobicContact CE2-CD1 4.09Å; F452-L454 HydrophobicContact CE2-CG 4.27Å; F452-L454 HydrophobicContact CZ-CB 4.47Å; F452-L454 HydrophobicContact CZ-CD1 3.62Å; F452-L454 HydrophobicContact CZ-CG 3.8Å; F452-L465 HydrophobicContact CE2-CB 4.37Å; F452-L465 HydrophobicContact CE2-CD2 4.11Å; F452-L480 HydrophobicContact CE2-CB 4.26Å; F452-L480 HydrophobicContact CZ-CB 3.73Å; F452-G482 VanDerWaalsContact CD1-O 3.31Å; F452-G482 WeakPolarHBondContact CD1-O 3.37Å; F452-G482 WeakPolarHBondContact CE1-O 3.43Å; F452-G483 CarbonylContact O-C 3.49Å; F452-S484 WeakPolarHBondContact CD1-O 3.12Å; F452-P486 HydrophobicContact CB-CG 4.45Å; F452-P486 HydrophobicContact CD1-CG 3.83Å; F452-P486 HydrophobicContact CD2-CG 3.94Å; F452-P486 HydrophobicContact CE1-CG 3.99Å; F452-P486 HydrophobicContact CE2-CG 4.11Å; F452-P486 VanDerWaalsContact CG-CD 3.47Å; F452-P486 HydrophobicContact CG-CG 3.8Å; F452-P486 HydrophobicContact CZ-CG 4.13Å; F452-F511 HydrophobicContact CB-CB 4.45Å; F452-F511 HydrophobicContact CD2-CB 3.63Å; F452-F511 HydrophobicContact CD2-CD1 4.43Å; F452-F511 HydrophobicContact CD2-CG 4.24Å; F452-F511 HydrophobicContact CE2-CB 4.28Å; F452-F511 HydrophobicContact CE2-CD1 4.25Å; F452-F511 HydrophobicContact CE2-CG 4.49Å; F452-F511 HydrophobicContact CG-CB 4.36Å |
| 453 | D | 97.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 91.8 | -177.8 | -177.1 | 21.7 | 0 | 0 | 0 | 109.4 | R508 R509 G510 | D453-R508 WeakPolarHBondContact O-CB 3.17Å; D453-R509 HydrophobicContact CB-CB 4.22Å; D453-R509 WeakPolarHBondContact OD2-CG 3.01Å; D453-R509 IonicContact OD2-CZ 2.67Å; D453-R509 PolarHBondContact OD2-N 3.24Å; D453-R509 IonicContact OD2-NE 3.1Å; D453-R509 PolarHBondContact OD2-NE 3.36Å; D453-R509 VanDerWaalsContact OD2-NE 3.1Å; D453-R509 IonicContact OD2-NH2 3.9Å; D453-G510 PolarHBondContact N-O 2.53Å; D453-G510 WeakPolarHBondContact O-CA 3.4Å; D453-G510 PolarHBondContact O-N 2.82Å |
| 454 | L | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -112.5 | 162.4 | 173.7 | -60.5 | -170 | 0 | 0 | 0 | 110.5 | Y427 F452 E456 D463 L465 G482 F500 F511 | Y427-L454 HydrophobicContact CD1-CD2 4.18Å; Y427-L454 HydrophobicContact CE1-CD2 3.47Å; Y427-L454 VanDerWaalsContact CE1-CD2 3.47Å; F452-L454 HydrophobicContact CE1-CB 4.39Å; F452-L454 HydrophobicContact CE1-CD1 4.35Å; F452-L454 HydrophobicContact CE1-CG 4.1Å; F452-L454 HydrophobicContact CE2-CD1 4.09Å; F452-L454 HydrophobicContact CE2-CG 4.27Å; F452-L454 HydrophobicContact CZ-CB 4.47Å; F452-L454 HydrophobicContact CZ-CD1 3.62Å; F452-L454 HydrophobicContact CZ-CG 3.8Å; L454-E456 PolarHBondContact O-N 2.94Å; L454-D463 HydrophobicContact CB-CB 4.47Å; L454-L465 HydrophobicContact CD1-CB 4.16Å; L454-G482 PolarHBondContact N-O 2.76Å; L454-G482 CarbonylContact O-C 3.36Å; L454-G482 VanDerWaalsContact O-CA 3.26Å; L454-G482 WeakPolarHBondContact O-CA 3.48Å; L454-G482 PolarHBondContact O-N 3.38Å; L454-F500 HydrophobicContact CD1-CD2 4.22Å; L454-F500 HydrophobicContact CD1-CE2 3.99Å; L454-F500 HydrophobicContact CD2-CD2 4.41Å; L454-F500 HydrophobicContact CD2-CE2 3.6Å; L454-F500 HydrophobicContact CD2-CZ 4.32Å; L454-F500 HydrophobicContact CG-CE2 4.46Å; L454-F511 HydrophobicContact CD2-CD1 4.44Å | ||
| 455 | E | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | trans | -55.6 | 133.7 | 172.2 | -167.5 | -168.1 | 175.6 | 0 | 0 | 110.5 | Y427 H462 D463 C481 G482 I506 | Y427-E455 PolarHBondContact OH-N 2.9Å; E455-H462 IonicContact OE1-CE1 3.28Å; E455-H462 IonicContact OE1-CG 2.81Å; E455-H462 IonicContact OE1-ND1 3.65Å; E455-H462 PolarHBondContact OE1-ND1 3.49Å; E455-H462 WeakPolarHBondContact OE2-CB 3.27Å; E455-H462 IonicContact OE2-CG 3.35Å; E455-H462 IonicContact OE2-ND1 3.5Å; E455-H462 PolarHBondContact OE2-ND1 3.05Å; E455-D463 HydrophobicContact CB-CB 3.85Å; E455-D463 WeakPolarHBondContact CB-OD2 3.03Å; E455-C481 WeakPolarHBondContact O-CB 3.03Å; E455-G482 PolarHBondContact O-N 3.45Å; E455-I506 HydrophobicContact CB-CG2 4.47Å; E455-I506 HydrophobicContact CG-CB 4.13Å; E455-I506 HydrophobicContact CG-CG2 3.84Å | ||
| 456 | E | 96.1 | Very high | 96.2 | Very high | 156 Ų | 156 | 50.7 Ų | 50.7 | 73% | 0.729 | 25% | 0.254 | S | S | * | . | trans | -88.8 | 127.7 | 177.6 | -169.2 | 171.5 | 179 | 0 | 0 | 109.9 | L454 | L454-E456 PolarHBondContact O-N 2.94Š| ||
| 457 | S | 95.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | trans | -148.1 | 158.5 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | R459 C460 L461 H462 | S457-R459 PolarHBondContact O-N 3.26Å; S457-C460 PolarHBondContact O-N 2.93Å; S457-C460 VanDerWaalsContact O-N 3.08Å; S457-C460 VanDerWaalsContact OG-CA 3.31Å; S457-C460 WeakPolarHBondContact OG-CA 3.42Å; S457-L461 PolarHBondContact OG-N 3.45Å; S457-H462 PolarHBondContact OG-N 3.24Å; S457-H462 VanDerWaalsContact OG-N 3.07Å | ||
| 458 | E | 93.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 48.1 Ų | 48.1 | 68% | 0.682 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -59.3 | 123.6 | 176.2 | -166.2 | -170.3 | 159.3 | 0 | 0 | 109.3 | C460 L461 | E458-C460 PolarHBondContact O-N 2.98Å; E458-C460 VanDerWaalsContact O-N 3.08Å; E458-L461 WeakPolarHBondContact O-CD1 3.49Å; E458-L461 VanDerWaalsContact O-CG 3.23Å; E458-L461 WeakPolarHBondContact O-CG 3.46Å; E458-L461 PolarHBondContact O-N 3.02Å |
| 459 | R | 91.1 | Very high | 96.1 | Very high | 205 Ų | 205 | 46.2 Ų | 46.2 | 77% | 0.774 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | 54.4 | 23.2 | -176.4 | -56.9 | 177.3 | -166.7 | 177.6 | 3.7 | 114.6 | S457 L461 | S457-R459 PolarHBondContact O-N 3.26Å; R459-L461 VanDerWaalsContact C-N 3.33Å; R459-L461 HydrophobicContact CB-CG 4.49Å; R459-L461 PolarHBondContact O-N 3.32Å |
| 460 | C | 95.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 12% | 0.122 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 57.2 | 43.2 | 179.2 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | S457 E458 H462 S464 V479 L480 C481 | S457-C460 PolarHBondContact O-N 2.93Å; S457-C460 VanDerWaalsContact O-N 3.08Å; S457-C460 VanDerWaalsContact OG-CA 3.31Å; S457-C460 WeakPolarHBondContact OG-CA 3.42Å; E458-C460 PolarHBondContact O-N 2.98Å; E458-C460 VanDerWaalsContact O-N 3.08Å; C460-H462 VanDerWaalsContact C-N 3.34Å; C460-S464 WeakPolarHBondContact O-CB 3Å; C460-V479 HydrophobicContact CB-CG1 3.7Å; C460-L480 VanDerWaalsContact SG-C 3.59Å; C460-C481 WeakPolarHBondContact CA-SG 3.09Å; C460-C481 HydrophobicContact CB-CB 3.5Å; C460-C481 WeakPolarHBondContact CB-SG 3.27Å; C460-C481 WeakPolarHBondContact SG-CB 3.3Å; C460-C481 PolarHBondContact SG-N 2.74Å; C460-C481 CovalentContact SG-SG 2.03Å; C460-C481 PolarHBondContact SG-SG 3.2Å |
| 461 | L | 94.1 | Very high | 95.5 | Very high | 136 Ų | 136 | 43.4 Ų | 43.4 | 71% | 0.712 | 21% | 0.208 | S | C | * | . | trans | -74.7 | -20.4 | -179.5 | -71.2 | 172.6 | 0 | 0 | 0 | 114.2 | S457 E458 R459 | S457-L461 PolarHBondContact OG-N 3.45Å; E458-L461 WeakPolarHBondContact O-CD1 3.49Å; E458-L461 VanDerWaalsContact O-CG 3.23Å; E458-L461 WeakPolarHBondContact O-CG 3.46Å; E458-L461 PolarHBondContact O-N 3.02Å; R459-L461 VanDerWaalsContact C-N 3.33Å; R459-L461 HydrophobicContact CB-CG 4.49Å; R459-L461 PolarHBondContact O-N 3.32Å | ||
| 462 | H | 95.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -90.1 | -111.5 | 173.2 | -52.6 | 170.9 | 0 | 0 | 0 | 108.9 | E455 S457 C460 | E455-H462 IonicContact OE1-CE1 3.28Å; E455-H462 IonicContact OE1-CG 2.81Å; E455-H462 IonicContact OE1-ND1 3.65Å; E455-H462 PolarHBondContact OE1-ND1 3.49Å; E455-H462 WeakPolarHBondContact OE2-CB 3.27Å; E455-H462 IonicContact OE2-CG 3.35Å; E455-H462 IonicContact OE2-ND1 3.5Å; E455-H462 PolarHBondContact OE2-ND1 3.05Å; S457-H462 PolarHBondContact OG-N 3.24Å; S457-H462 VanDerWaalsContact OG-N 3.07Å; C460-H462 VanDerWaalsContact C-N 3.34Å |
| 463 | D | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -76.7 | 132.8 | 177.1 | -58.2 | -16.2 | 0 | 0 | 0 | 111.8 | Y427 L454 E455 C481 T501 S502 D503 | Y427-D463 WeakPolarHBondContact CE2-OD2 3.27Å; Y427-D463 VanDerWaalsContact CZ-OD2 3.22Å; Y427-D463 PolarHBondContact OH-OD2 3.01Å; L454-D463 HydrophobicContact CB-CB 4.47Å; E455-D463 HydrophobicContact CB-CB 3.85Å; E455-D463 WeakPolarHBondContact CB-OD2 3.03Å; D463-C481 VanDerWaalsContact O-CB 3.27Å; D463-C481 WeakPolarHBondContact O-CB 3.39Å; D463-T501 WeakPolarHBondContact CA-O 3.46Å; D463-S502 WeakPolarHBondContact OD1-CA 3.44Å; D463-S502 VanDerWaalsContact OD1-CB 3.23Å; D463-S502 WeakPolarHBondContact OD1-CB 3.23Å; D463-D503 PolarHBondContact OD1-N 2.94Å |
| 464 | S | 97.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 153 | -178 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | C460 L480 F500 T501 | C460-S464 WeakPolarHBondContact O-CB 3Å; S464-L480 WeakPolarHBondContact CA-O 3.4Å; S464-F500 WeakPolarHBondContact O-CA 3.23Å; S464-F500 WeakPolarHBondContact O-CD2 3.44Å; S464-T501 PolarHBondContact N-O 3.49Å; S464-T501 PolarHBondContact O-N 2.83Å; S464-T501 PolarHBondContact OG-OG1 3.4Å |
| 465 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 104.2 | 162.4 | 177.6 | 65.1 | 0 | 0 | 0 | 108.4 | F449 F452 L454 L480 L498 F500 F511 | F449-L465 HydrophobicContact CE1-CD2 3.55Å; F449-L465 HydrophobicContact CZ-CD2 3.55Å; F452-L465 HydrophobicContact CE2-CB 4.37Å; F452-L465 HydrophobicContact CE2-CD2 4.11Å; L454-L465 HydrophobicContact CD1-CB 4.16Å; L465-L480 HydrophobicContact CB-CB 4.39Å; L465-L480 HydrophobicContact CD2-CD1 4.44Å; L465-L480 PolarHBondContact N-O 3.22Å; L465-L480 PolarHBondContact O-N 3.2Å; L465-L498 HydrophobicContact CD1-CB 4.12Å; L465-F500 HydrophobicContact CD1-CB 4.2Å; L465-F511 HydrophobicContact CB-CE1 4.32Å; L465-F511 HydrophobicContact CD1-CE1 3.87Å; L465-F511 HydrophobicContact CD1-CZ 3.82Å; L465-F511 HydrophobicContact CD2-CD1 4.16Å; L465-F511 HydrophobicContact CD2-CE1 3.81Å; L465-F511 HydrophobicContact CD2-CE2 4.36Å; L465-F511 HydrophobicContact CD2-CZ 3.92Å; L465-F511 HydrophobicContact CG-CE1 4.22Å; L465-F511 HydrophobicContact CG-CZ 4.45Å |
| 466 | T | 97.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.7 | 172.4 | -47.5 | 0 | 0 | 0 | 0 | 110.3 | L468 E476 A478 V479 H499 | T466-L468 HydrophobicContact CG2-CD2 3.7Å; T466-L468 HydrophobicContact CG2-CG 4.02Å; T466-E476 HydrophobicContact CG2-CG 4.2Å; T466-A478 CarbonylContact C-O 3.55Å; T466-A478 WeakPolarHBondContact CA-O 3.24Å; T466-V479 HydrophobicContact CG2-CG2 4.25Å; T466-H499 PolarHBondContact N-O 2.84Å; T466-H499 PolarHBondContact O-N 3.03Å |
| 467 | V | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.7 | 173.9 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | L447 I477 A478 L480 V489 M496 V497 L498 | L447-V467 HydrophobicContact CD2-CG2 4.11Å; V467-I477 HydrophobicContact CB-CB 4.28Å; V467-I477 HydrophobicContact CG1-CB 4.15Å; V467-I477 HydrophobicContact CG1-CD1 4.26Å; V467-I477 WeakPolarHBondContact O-CA 3.2Å; V467-I477 WeakPolarHBondContact O-CB 3.31Å; V467-I477 PolarHBondContact O-N 2.76Å; V467-A478 HydrophobicContact CB-CB 4.36Å; V467-A478 HydrophobicContact CG2-CB 4.41Å; V467-A478 PolarHBondContact N-O 3.48Å; V467-A478 PolarHBondContact O-N 3.4Å; V467-L480 HydrophobicContact CG2-CD1 4.38Å; V467-V489 HydrophobicContact CB-CG1 4.36Å; V467-V489 HydrophobicContact CG1-CG1 3.93Å; V467-V489 HydrophobicContact CG2-CG1 4.46Å; V467-M496 HydrophobicContact CG1-CE 4.21Å; V467-M496 HydrophobicContact CG1-CG 3.83Å; V467-M496 HydrophobicContact CG1-SD 3.98Å; V467-V497 CarbonylContact C-O 3.6Å; V467-L498 HydrophobicContact CB-CD2 4.31Å; V467-L498 HydrophobicContact CG1-CD2 3.92Å; V467-L498 HydrophobicContact CG2-CD2 3.87Å |
| 468 | L | 96.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.4 | -175.1 | -54.9 | 164.6 | 0 | 0 | 0 | 110.8 | T466 K475 E476 V497 | T466-L468 HydrophobicContact CG2-CD2 3.7Å; T466-L468 HydrophobicContact CG2-CG 4.02Å; L468-K475 CarbonylContact C-O 3.57Å; L468-K475 VanDerWaalsContact CA-O 3.28Å; L468-K475 WeakPolarHBondContact CA-O 3.36Å; L468-E476 HydrophobicContact CD2-CB 4.32Å; L468-E476 HydrophobicContact CD2-CG 4.49Å; L468-V497 HydrophobicContact CB-CB 4.12Å; L468-V497 HydrophobicContact CD1-CG1 4.47Å; L468-V497 PolarHBondContact N-O 3.27Å; L468-V497 PolarHBondContact O-N 3.13Å |
| 469 | G | 92.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -100.3 | 4.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K475 I495 | G469-K475 PolarHBondContact N-O 3.46Å; G469-I495 WeakPolarHBondContact O-CG2 3.47Å |
| 470 | D | 90.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -152.9 | 160.9 | 178.7 | 66.9 | -40.6 | 0 | 0 | 0 | 111.6 | E472 N474 K475 | D470-E472 VanDerWaalsContact C-N 3.34Å; D470-N474 PolarHBondContact OD1-N 3.4Å; D470-N474 VanDerWaalsContact OD2-CB 3.29Å; D470-N474 WeakPolarHBondContact OD2-CB 3.49Å; D470-N474 PolarHBondContact OD2-N 3.17Å; D470-N474 PolarHBondContact OD2-ND2 3.45Å; D470-N474 VanDerWaalsContact OD2-ND2 3.11Å; D470-K475 WeakPolarHBondContact OD1-CB 3.14Å; D470-K475 PolarHBondContact OD1-N 2.9Å |
| 471 | I | 90.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -75.6 | -26.1 | -179.4 | 59.4 | 175.6 | 0 | 0 | 0 | 112.4 | P355 I358 R434 V436 G473 I495 V497 | P355-I471 HydrophobicContact CB-CD1 3.59Å; P355-I471 HydrophobicContact CG-CD1 3.7Å; I358-I471 HydrophobicContact CD1-CD1 3.74Å; I358-I471 HydrophobicContact CD1-CG1 4.33Å; I358-I471 HydrophobicContact CG1-CD1 3.94Å; R434-I471 PolarHBondContact NH2-O 3.35Å; V436-I471 HydrophobicContact CG1-CG2 4.04Å; I471-G473 VanDerWaalsContact C-N 3.26Å; I471-G473 PolarHBondContact O-N 3.38Å; I471-I495 HydrophobicContact CG2-CD1 3.41Å; I471-I495 VanDerWaalsContact CG2-CD1 3.41Å; I471-V497 HydrophobicContact CG2-CG2 4.27Å |
| 472 | E | 85.1 | Confident | 94 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 41% | 0.407 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -76.5 | -17.5 | 179.8 | -60.4 | 89.9 | 156.1 | 0 | 0 | 112 | I358 D470 N474 | I358-E472 HydrophobicContact CD1-CG 4.23Å; D470-E472 VanDerWaalsContact C-N 3.34Å; E472-N474 WeakPolarHBondContact CB-ND2 3.23Å |
| 473 | G | 85.1 | Confident | 93.9 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 79.3 | 25.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I471 | I471-G473 VanDerWaalsContact C-N 3.26Å; I471-G473 PolarHBondContact O-N 3.38Å |
| 474 | N | 84.9 | Confident | 93.8 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | trans | -84.4 | -16 | 178 | -60.3 | -67.1 | 0 | 0 | 0 | 113.7 | Y340 D470 E472 | Y340-N474 WeakPolarHBondContact CD1-OD1 3Å; Y340-N474 WeakPolarHBondContact CE1-OD1 3.25Å; Y340-N474 PolarHBondContact OH-OD1 2.76Å; D470-N474 PolarHBondContact OD1-N 3.4Å; D470-N474 VanDerWaalsContact OD2-CB 3.29Å; D470-N474 WeakPolarHBondContact OD2-CB 3.49Å; D470-N474 PolarHBondContact OD2-N 3.17Å; D470-N474 PolarHBondContact OD2-ND2 3.45Å; D470-N474 VanDerWaalsContact OD2-ND2 3.11Å; E472-N474 WeakPolarHBondContact CB-ND2 3.23Å | ||
| 475 | K | 87.9 | Confident | 93.8 | Very high | 110 Ų | 110 | 44 Ų | 44 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | trans | -120.1 | 87.1 | -174 | -64.1 | -175.2 | 176.6 | -176.7 | 0 | 110.2 | L468 G469 D470 F492 | L468-K475 CarbonylContact C-O 3.57Å; L468-K475 VanDerWaalsContact CA-O 3.28Å; L468-K475 WeakPolarHBondContact CA-O 3.36Å; G469-K475 PolarHBondContact N-O 3.46Å; D470-K475 WeakPolarHBondContact OD1-CB 3.14Å; D470-K475 PolarHBondContact OD1-N 2.9Å; K475-F492 HydrophobicContact CB-CD2 4.38Å; K475-F492 HydrophobicContact CB-CE2 4.31Å; K475-F492 HydrophobicContact CD-CD2 4.41Å | ||
| 476 | E | 95.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 44.7 Ų | 44.7 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.6 | 170.2 | -166.7 | 178.7 | 105 | 0 | 0 | 111 | T466 L468 V479 | T466-E476 HydrophobicContact CG2-CG 4.2Å; L468-E476 HydrophobicContact CD2-CB 4.32Å; L468-E476 HydrophobicContact CD2-CG 4.49Å; E476-V479 VanDerWaalsContact CD-CG2 3.43Å; E476-V479 HydrophobicContact CG-CG2 4.15Å; E476-V479 VanDerWaalsContact OE1-CG2 3.29Å; E476-V479 WeakPolarHBondContact OE1-CG2 3.47Å |
| 477 | I | 96.2 | Very high | 93.5 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -47.6 | 176.3 | -53.6 | -173.7 | 0 | 0 | 0 | 109.7 | V467 V489 F492 | V467-I477 HydrophobicContact CB-CB 4.28Å; V467-I477 HydrophobicContact CG1-CB 4.15Å; V467-I477 HydrophobicContact CG1-CD1 4.26Å; V467-I477 WeakPolarHBondContact O-CA 3.2Å; V467-I477 WeakPolarHBondContact O-CB 3.31Å; V467-I477 PolarHBondContact O-N 2.76Å; I477-V489 HydrophobicContact CG2-CG1 3.62Å; I477-F492 HydrophobicContact CB-CZ 4.49Å; I477-F492 HydrophobicContact CD1-CD2 4.17Å; I477-F492 HydrophobicContact CD1-CE2 4.22Å; I477-F492 HydrophobicContact CD1-CG 4.49Å; I477-F492 HydrophobicContact CG1-CD2 4.07Å; I477-F492 HydrophobicContact CG1-CE2 3.63Å; I477-F492 HydrophobicContact CG1-CZ 3.91Å; I477-F492 HydrophobicContact CG2-CZ 4.5Å |
| 478 | A | 96 | Very high | 93.4 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 153.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T466 V467 L480 V489 | T466-A478 CarbonylContact C-O 3.55Å; T466-A478 WeakPolarHBondContact CA-O 3.24Å; V467-A478 HydrophobicContact CB-CB 4.36Å; V467-A478 HydrophobicContact CG2-CB 4.41Å; V467-A478 PolarHBondContact N-O 3.48Å; V467-A478 PolarHBondContact O-N 3.4Å; A478-L480 HydrophobicContact CB-CD2 4.11Å; A478-L480 HydrophobicContact CB-CG 4.33Å; A478-V489 HydrophobicContact CB-CG1 4.49Å |
| 479 | V | 97.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.2 | 166.8 | -170.1 | 0 | 0 | 0 | 0 | 107.2 | C460 T466 E476 | C460-V479 HydrophobicContact CB-CG1 3.7Å; T466-V479 HydrophobicContact CG2-CG2 4.25Å; E476-V479 VanDerWaalsContact CD-CG2 3.43Å; E476-V479 HydrophobicContact CG-CG2 4.15Å; E476-V479 VanDerWaalsContact OE1-CG2 3.29Å; E476-V479 WeakPolarHBondContact OE1-CG2 3.47Å |
| 480 | L | 97.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 13% | 0.131 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.2 | -169.3 | -51.9 | 174.6 | 0 | 0 | 0 | 110.7 | F449 F452 C460 S464 L465 V467 A478 P486 V489 | F449-L480 HydrophobicContact CE2-CD1 3.8Å; F449-L480 HydrophobicContact CZ-CD1 3.74Å; F452-L480 HydrophobicContact CE2-CB 4.26Å; F452-L480 HydrophobicContact CZ-CB 3.73Å; C460-L480 VanDerWaalsContact SG-C 3.59Å; S464-L480 WeakPolarHBondContact CA-O 3.4Å; L465-L480 HydrophobicContact CB-CB 4.39Å; L465-L480 HydrophobicContact CD2-CD1 4.44Å; L465-L480 PolarHBondContact N-O 3.22Å; L465-L480 PolarHBondContact O-N 3.2Å; V467-L480 HydrophobicContact CG2-CD1 4.38Å; A478-L480 HydrophobicContact CB-CD2 4.11Å; A478-L480 HydrophobicContact CB-CG 4.33Å; L480-P486 HydrophobicContact CB-CG 4.45Å; L480-P486 HydrophobicContact CD1-CB 4.05Å; L480-P486 HydrophobicContact CD1-CG 4.14Å; L480-P486 HydrophobicContact CD2-CB 4.14Å; L480-V489 HydrophobicContact CD1-CG2 4.36Å |
| 481 | C | 97.3 | Very high | 93.8 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | trans | -158.6 | 175.6 | 174.9 | 63 | 0 | 0 | 0 | 0 | 111.1 | E455 C460 D463 | E455-C481 WeakPolarHBondContact O-CB 3.03Å; C460-C481 WeakPolarHBondContact CA-SG 3.09Å; C460-C481 HydrophobicContact CB-CB 3.5Å; C460-C481 WeakPolarHBondContact CB-SG 3.27Å; C460-C481 WeakPolarHBondContact SG-CB 3.3Å; C460-C481 PolarHBondContact SG-N 2.74Å; C460-C481 CovalentContact SG-SG 2.03Å; C460-C481 PolarHBondContact SG-SG 3.2Å; D463-C481 VanDerWaalsContact O-CB 3.27Å; D463-C481 WeakPolarHBondContact O-CB 3.39Å | ||
| 482 | G | 96.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 87.3 | -172.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F452 L454 E455 | F452-G482 VanDerWaalsContact CD1-O 3.31Å; F452-G482 WeakPolarHBondContact CD1-O 3.37Å; F452-G482 WeakPolarHBondContact CE1-O 3.43Å; L454-G482 PolarHBondContact N-O 2.76Å; L454-G482 CarbonylContact O-C 3.36Å; L454-G482 VanDerWaalsContact O-CA 3.26Å; L454-G482 WeakPolarHBondContact O-CA 3.48Å; L454-G482 PolarHBondContact O-N 3.38Å; E455-G482 PolarHBondContact O-N 3.45Å |
| 483 | G | 94.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -101.4 | 6.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | F452 | F452-G483 CarbonylContact O-C 3.49Š|
| 484 | S | 94.8 | Very high | 94.1 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -98.7 | 140.6 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | F452 P486 | F452-S484 WeakPolarHBondContact CD1-O 3.12Å; S484-P486 WeakPolarHBondContact O-CD 3.44Å |
| 485 | I | 96.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 116.5 | 178.2 | -61.5 | 178.7 | 0 | 0 | 0 | 109.1 | F449 | F449-I485 HydrophobicContact CB-CG2 3.97Š|
| 486 | P | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 154.7 | -179.1 | -21 | 34.3 | 0 | 0 | 0 | 112.5 | F449 F452 L480 S484 | F449-P486 HydrophobicContact CD2-CB 3.98Å; F449-P486 HydrophobicContact CD2-CG 4.07Å; F449-P486 HydrophobicContact CE2-CB 4.04Å; F449-P486 HydrophobicContact CE2-CG 4.17Å; F452-P486 HydrophobicContact CB-CG 4.45Å; F452-P486 HydrophobicContact CD1-CG 3.83Å; F452-P486 HydrophobicContact CD2-CG 3.94Å; F452-P486 HydrophobicContact CE1-CG 3.99Å; F452-P486 HydrophobicContact CE2-CG 4.11Å; F452-P486 VanDerWaalsContact CG-CD 3.47Å; F452-P486 HydrophobicContact CG-CG 3.8Å; F452-P486 HydrophobicContact CZ-CG 4.13Å; L480-P486 HydrophobicContact CB-CG 4.45Å; L480-P486 HydrophobicContact CD1-CB 4.05Å; L480-P486 HydrophobicContact CD1-CG 4.14Å; L480-P486 HydrophobicContact CD2-CB 4.14Å; S484-P486 WeakPolarHBondContact O-CD 3.44Å |
| 487 | P | 95.4 | Very high | 94.9 | Very high | 100 Ų | 100 | 44 Ų | 44 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 157.8 | 171.7 | 28.6 | -34.8 | 0 | 0 | 0 | 111.5 | V489 | P487-V489 PolarHBondContact O-N 3.16Š|
| 488 | P | 95.9 | Very high | 95 | Very high | 79 Ų | 79 | 42 Ų | 42 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 136 | 176.4 | -25.1 | 34.6 | 0 | 0 | 0 | 112.8 | L447 T448 | L447-P488 CarbonylContact O-C 3.59Å; L447-P488 VanDerWaalsContact O-CA 3.24Å; L447-P488 WeakPolarHBondContact O-CA 3.47Å; T448-P488 HydrophobicContact CG2-CB 3.97Å; T448-P488 HydrophobicContact CG2-CG 4.09Å |
| 489 | V | 97.1 | Very high | 95 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | K446 L447 V467 I477 A478 L480 P487 | K446-V489 WeakPolarHBondContact CA-O 3.48Å; L447-V489 HydrophobicContact CB-CB 4.3Å; L447-V489 PolarHBondContact N-O 3.28Å; L447-V489 PolarHBondContact O-N 2.83Å; V467-V489 HydrophobicContact CB-CG1 4.36Å; V467-V489 HydrophobicContact CG1-CG1 3.93Å; V467-V489 HydrophobicContact CG2-CG1 4.46Å; I477-V489 HydrophobicContact CG2-CG1 3.62Å; A478-V489 HydrophobicContact CB-CG1 4.49Å; L480-V489 HydrophobicContact CD1-CG2 4.36Å; P487-V489 PolarHBondContact O-N 3.16Å |
| 490 | L | 95.1 | Very high | 95 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.1 | 177.8 | -67 | 176.3 | 0 | 0 | 0 | 110.8 | K446 I518 L525 | K446-L490 HydrophobicContact CB-CD2 3.63Å; K446-L490 HydrophobicContact CG-CD2 3.72Å; L490-I518 HydrophobicContact CD2-CD1 3.57Å; L490-L525 HydrophobicContact CD1-CD2 3.78Å |
| 491 | S | 94.8 | Very high | 95 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | trans | -73.5 | 156.1 | 172.4 | 58 | 0 | 0 | 0 | 0 | 112.7 | V445 S493 I495 M496 | V445-S491 PolarHBondContact N-OG 2.9Å; V445-S491 PolarHBondContact O-N 3.24Å; V445-S491 PolarHBondContact O-OG 2.67Å; S491-S493 WeakPolarHBondContact CB-O 3.23Å; S491-S493 PolarHBondContact OG-O 3.25Å; S491-I495 WeakPolarHBondContact CB-O 3.34Å; S491-M496 VanDerWaalsContact N-CE 3.34Å | ||
| 492 | F | 88.2 | Confident | 94.9 | Very high | 125 Ų | 125 | 41.6 Ų | 41.6 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.6 | -20.6 | 171.6 | -59 | -42.8 | 0 | 0 | 0 | 114.4 | K475 I477 | K475-F492 HydrophobicContact CB-CD2 4.38Å; K475-F492 HydrophobicContact CB-CE2 4.31Å; K475-F492 HydrophobicContact CD-CD2 4.41Å; I477-F492 HydrophobicContact CB-CZ 4.49Å; I477-F492 HydrophobicContact CD1-CD2 4.17Å; I477-F492 HydrophobicContact CD1-CE2 4.22Å; I477-F492 HydrophobicContact CD1-CG 4.49Å; I477-F492 HydrophobicContact CG1-CD2 4.07Å; I477-F492 HydrophobicContact CG1-CE2 3.63Å; I477-F492 HydrophobicContact CG1-CZ 3.91Å; I477-F492 HydrophobicContact CG2-CZ 4.5Å |
| 493 | S | 88.9 | Confident | 94.9 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -152.3 | -159.1 | -175.5 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | S491 I495 | S491-S493 WeakPolarHBondContact CB-O 3.23Å; S491-S493 PolarHBondContact OG-O 3.25Å; S493-I495 PolarHBondContact O-N 3.35Å; S493-I495 WeakPolarHBondContact OG-CG2 3.17Å |
| 494 | S | 89.6 | Confident | 95 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.4 | 11.6 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 114.8 | Y438 S439 | Y438-S494 WeakPolarHBondContact CA-O 3.31Å; S439-S494 PolarHBondContact N-O 3.47Å; S439-S494 WeakPolarHBondContact OG-CA 3.5Å; S439-S494 WeakPolarHBondContact OG-CB 2.97Å; S439-S494 PolarHBondContact OG-O 2.98Å |
| 495 | I | 92.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.5 | 176.5 | -172.9 | 176.9 | 0 | 0 | 0 | 110.6 | V436 I437 Y438 G469 I471 S491 S493 V497 | V436-I495 HydrophobicContact CG1-CD1 4.3Å; I437-I495 WeakPolarHBondContact O-CA 3.04Å; Y438-I495 HydrophobicContact CD1-CB 3.95Å; Y438-I495 HydrophobicContact CD1-CD1 4.4Å; Y438-I495 HydrophobicContact CD1-CG1 4.1Å; Y438-I495 HydrophobicContact CE1-CB 3.77Å; Y438-I495 HydrophobicContact CE1-CD1 3.58Å; Y438-I495 HydrophobicContact CE1-CG1 3.76Å; Y438-I495 HydrophobicContact CE2-CD1 4.36Å; Y438-I495 WeakPolarHBondContact OH-CD1 3.46Å; G469-I495 WeakPolarHBondContact O-CG2 3.47Å; I471-I495 HydrophobicContact CG2-CD1 3.41Å; I471-I495 VanDerWaalsContact CG2-CD1 3.41Å; S491-I495 WeakPolarHBondContact CB-O 3.34Å; S493-I495 PolarHBondContact O-N 3.35Å; S493-I495 WeakPolarHBondContact OG-CG2 3.17Å; I495-V497 HydrophobicContact CD1-CG2 4.02Å; I495-V497 HydrophobicContact CG1-CG2 4.07Å |
| 496 | M | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.7 | 166.6 | -178.1 | 177.5 | -77.5 | 0 | 0 | 108.1 | I437 V445 L447 V467 S491 L498 | I437-M496 HydrophobicContact CB-CB 4.47Å; I437-M496 WeakPolarHBondContact CB-O 3.31Å; I437-M496 VanDerWaalsContact CD1-O 3.27Å; I437-M496 WeakPolarHBondContact CD1-O 3.3Å; I437-M496 PolarHBondContact N-O 2.88Å; I437-M496 PolarHBondContact O-N 3.02Å; V445-M496 HydrophobicContact CB-CB 3.84Å; V445-M496 HydrophobicContact CB-CE 4.12Å; V445-M496 HydrophobicContact CB-SD 4.35Å; V445-M496 HydrophobicContact CG1-CB 3.9Å; V445-M496 HydrophobicContact CG1-CE 4.12Å; V445-M496 HydrophobicContact CG1-CG 4.49Å; V445-M496 HydrophobicContact CG1-SD 3.81Å; V445-M496 HydrophobicContact CG2-CB 4.08Å; V445-M496 WeakPolarHBondContact O-CE 3.47Å; L447-M496 HydrophobicContact CB-CE 4.28Å; L447-M496 HydrophobicContact CB-SD 3.88Å; L447-M496 HydrophobicContact CD2-SD 4.49Å; V467-M496 HydrophobicContact CG1-CE 4.21Å; V467-M496 HydrophobicContact CG1-CG 3.83Å; V467-M496 HydrophobicContact CG1-SD 3.98Å; S491-M496 VanDerWaalsContact N-CE 3.34Å; M496-L498 HydrophobicContact CG-CD2 4.04Å; M496-L498 HydrophobicContact SD-CD2 3.93Å |
| 497 | V | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.2 | 177.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | R434 W435 V436 V467 L468 I471 I495 | R434-V497 HydrophobicContact CG-CG1 3.76Å; W435-V497 CarbonylContact O-C 3.17Å; W435-V497 VanDerWaalsContact O-CA 3.28Å; W435-V497 WeakPolarHBondContact O-CA 3.42Å; V436-V497 HydrophobicContact CG1-CG2 4.25Å; V436-V497 HydrophobicContact CG2-CG1 4.21Å; V436-V497 HydrophobicContact CG2-CG2 4.33Å; V467-V497 CarbonylContact C-O 3.6Å; L468-V497 HydrophobicContact CB-CB 4.12Å; L468-V497 HydrophobicContact CD1-CG1 4.47Å; L468-V497 PolarHBondContact N-O 3.27Å; L468-V497 PolarHBondContact O-N 3.13Å; I471-V497 HydrophobicContact CG2-CG2 4.27Å; I495-V497 HydrophobicContact CD1-CG2 4.02Å; I495-V497 HydrophobicContact CG1-CG2 4.07Å |
| 498 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.8 | 177.2 | -54.9 | -177.9 | 0 | 0 | 0 | 108 | L418 R434 W435 I437 L447 L465 V467 M496 | L418-L498 HydrophobicContact CD1-CD1 3.72Å; R434-L498 CarbonylContact C-O 3.57Å; R434-L498 WeakPolarHBondContact CA-O 3.34Å; R434-L498 WeakPolarHBondContact CG-O 3.22Å; W435-L498 HydrophobicContact CB-CB 4.25Å; W435-L498 HydrophobicContact CE3-CB 3.77Å; W435-L498 PolarHBondContact N-O 2.99Å; W435-L498 PolarHBondContact O-N 2.04Å; I437-L498 HydrophobicContact CD1-CD1 4.06Å; I437-L498 HydrophobicContact CD1-CG 3.76Å; L447-L498 HydrophobicContact CD1-CD1 3.9Å; L447-L498 HydrophobicContact CD2-CD1 4.34Å; L447-L498 HydrophobicContact CD2-CD2 3.64Å; L465-L498 HydrophobicContact CD1-CB 4.12Å; V467-L498 HydrophobicContact CB-CD2 4.31Å; V467-L498 HydrophobicContact CG1-CD2 3.92Å; V467-L498 HydrophobicContact CG2-CD2 3.87Å; M496-L498 HydrophobicContact CG-CD2 4.04Å; M496-L498 HydrophobicContact SD-CD2 3.93Å |
| 499 | H | 96.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.7 | 177.9 | -175.5 | -141.3 | 0 | 0 | 0 | 108.6 | T466 T501 | T466-H499 PolarHBondContact N-O 2.84Å; T466-H499 PolarHBondContact O-N 3.03Å; H499-T501 VanDerWaalsContact CE1-CG2 3.41Å; H499-T501 WeakPolarHBondContact CE1-CG2 3.39Å |
| 500 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.9 | 173.8 | 172.8 | -110.8 | 0 | 0 | 0 | 109.3 | T420 Y427 C431 A432 L433 W435 L454 S464 L465 F511 | T420-F500 HydrophobicContact CG2-CD1 4.49Å; T420-F500 HydrophobicContact CG2-CD2 4.49Å; T420-F500 HydrophobicContact CG2-CE1 4.43Å; T420-F500 HydrophobicContact CG2-CE2 4.44Å; T420-F500 HydrophobicContact CG2-CZ 4.41Å; Y427-F500 AromaticContact CD1-CZ 3.95Å; Y427-F500 HydrophobicContact CD1-CZ 3.95Å; Y427-F500 HydrophobicContact CD2-CE1 4.42Å; Y427-F500 AromaticContact CD2-CZ 3.78Å; Y427-F500 HydrophobicContact CD2-CZ 3.78Å; Y427-F500 HydrophobicContact CE1-CZ 4.28Å; Y427-F500 HydrophobicContact CE2-CZ 4.14Å; Y427-F500 HydrophobicContact CG-CE1 4.23Å; Y427-F500 AromaticContact CG-CZ 3.68Å; Y427-F500 HydrophobicContact CG-CZ 3.68Å; C431-F500 HydrophobicContact CB-CE1 4.25Å; A432-F500 CarbonylContact C-O 3.55Å; A432-F500 WeakPolarHBondContact CA-O 3.31Å; L433-F500 PolarHBondContact N-O 3.28Å; L433-F500 PolarHBondContact O-N 3.37Å; W435-F500 HydrophobicContact CH2-CB 4.31Å; W435-F500 HydrophobicContact CZ3-CB 3.82Å; L454-F500 HydrophobicContact CD1-CD2 4.22Å; L454-F500 HydrophobicContact CD1-CE2 3.99Å; L454-F500 HydrophobicContact CD2-CD2 4.41Å; L454-F500 HydrophobicContact CD2-CE2 3.6Å; L454-F500 HydrophobicContact CD2-CZ 4.32Å; L454-F500 HydrophobicContact CG-CE2 4.46Å; S464-F500 WeakPolarHBondContact O-CA 3.23Å; S464-F500 WeakPolarHBondContact O-CD2 3.44Å; L465-F500 HydrophobicContact CD1-CB 4.2Å; F500-F511 HydrophobicContact CB-CE1 4.35Å; F500-F511 HydrophobicContact CD2-CE1 4.01Å; F500-F511 HydrophobicContact CG-CE1 4.28Å |
| 501 | T | 96.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 23% | 0.233 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.6 | 173.6 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | C431 A432 D463 S464 H499 | C431-T501 CarbonylContact O-C 3.56Å; C431-T501 WeakPolarHBondContact O-CA 3.36Å; A432-T501 HydrophobicContact CB-CG2 4.44Å; D463-T501 WeakPolarHBondContact CA-O 3.46Å; S464-T501 PolarHBondContact N-O 3.49Å; S464-T501 PolarHBondContact O-N 2.83Å; S464-T501 PolarHBondContact OG-OG1 3.4Å; H499-T501 VanDerWaalsContact CE1-CG2 3.41Å; H499-T501 WeakPolarHBondContact CE1-CG2 3.39Å |
| 502 | S | 97 | Very high | 94.8 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -120.9 | 151.9 | 165.8 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | S428 D430 C431 D463 | S428-S502 PolarHBondContact O-OG 3Å; D430-S502 WeakPolarHBondContact CA-O 3.33Å; D430-S502 PolarHBondContact N-OG 3.12Å; C431-S502 WeakPolarHBondContact CB-OG 3.29Å; C431-S502 PolarHBondContact N-OG 2.74Å; C431-S502 PolarHBondContact O-N 3.24Å; D463-S502 WeakPolarHBondContact OD1-CA 3.44Å; D463-S502 VanDerWaalsContact OD1-CB 3.23Å; D463-S502 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 503 | D | 95.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | trans | -88.9 | -169.4 | 176.6 | 93.1 | -11.2 | 0 | 0 | 0 | 112 | N429 D430 D463 R505 | N429-D503 CarbonylContact C-O 3.52Å; N429-D503 VanDerWaalsContact CA-O 3.25Å; N429-D503 WeakPolarHBondContact CA-O 3.5Å; N429-D503 VanDerWaalsContact CB-O 3.28Å; N429-D503 WeakPolarHBondContact CB-O 3.37Å; D430-D503 PolarHBondContact N-O 3.42Å; D463-D503 PolarHBondContact OD1-N 2.94Å; D503-R505 PolarHBondContact O-N 3.24Å; D503-R505 WeakPolarHBondContact OD1-CA 3.48Å; D503-R505 PolarHBondContact OD1-N 3.47Å | ||
| 504 | S | 96 | Very high | 95.4 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -78.4 | -0.6 | -177.3 | 66 | 0 | 0 | 0 | 0 | 114.7 | N429 | N429-S504 VanDerWaalsContact CG-C 3.49Å; N429-S504 PolarHBondContact ND2-O 3.19Å |
| 505 | R | 94.1 | Very high | 95.7 | Very high | 177 Ų | 177 | 39.8 Ų | 39.8 | 67% | 0.668 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -137.2 | 165.9 | -170.4 | -63.3 | -175.6 | -179.2 | -172.7 | 0.3 | 110.9 | N429 D503 | N429-R505 PolarHBondContact OD1-O 2.83Å; D503-R505 PolarHBondContact O-N 3.24Å; D503-R505 WeakPolarHBondContact OD1-CA 3.48Å; D503-R505 PolarHBondContact OD1-N 3.47Å |
| 506 | I | 94.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 41.6 Ų | 41.6 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | trans | 40 | 90.9 | 168.6 | -53.2 | 175.9 | 0 | 0 | 0 | 115.1 | E455 | E455-I506 HydrophobicContact CB-CG2 4.47Å; E455-I506 HydrophobicContact CG-CB 4.13Å; E455-I506 HydrophobicContact CG-CG2 3.84Å | ||
| 507 | T | 96 | Very high | 95.6 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 31% | 0.307 | 21% | 0.213 | S | C | . | . | trans | -93.1 | 145.8 | 172.2 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | Y427 N429 | Y427-T507 HydrophobicContact CD2-CG2 4.04Å; Y427-T507 HydrophobicContact CE2-CG2 4.05Å; Y427-T507 WeakPolarHBondContact O-CB 3.37Å; Y427-T507 WeakPolarHBondContact O-CG2 3.42Å; N429-T507 WeakPolarHBondContact OD1-CG2 3.48Å | ||
| 508 | R | 96.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 45.1 Ų | 45.1 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | trans | -117.1 | -174.7 | 172.3 | -63.9 | -67.5 | -174.8 | 161.2 | 2.9 | 111.4 | S426 Y427 D453 G510 | S426-R508 WeakPolarHBondContact CA-O 3.13Å; S426-R508 VanDerWaalsContact CB-O 3.28Å; S426-R508 WeakPolarHBondContact CB-O 3.49Å; S426-R508 PolarHBondContact OG-O 3.04Å; Y427-R508 WeakPolarHBondContact CD1-O 3.35Å; Y427-R508 HydrophobicContact CE1-CB 3.96Å; Y427-R508 WeakPolarHBondContact CE1-O 3.26Å; Y427-R508 PolarHBondContact N-O 3.37Å; Y427-R508 WeakPolarHBondContact OH-CB 3.26Å; Y427-R508 PolarHBondContact OH-N 3.22Å; D453-R508 WeakPolarHBondContact O-CB 3.17Å; R508-G510 PolarHBondContact O-N 3.41Å | ||
| 509 | R | 95.3 | Very high | 95 | Very high | 108 Ų | 108 | 47 Ų | 47 | 41% | 0.408 | 24% | 0.236 | S | C | . | . | trans | -68.1 | -21.1 | -175.2 | -62.3 | -177.1 | -62.4 | 131.9 | 9.3 | 113.7 | Y423 D451 D453 | Y423-R509 WeakPolarHBondContact CD2-O 3.48Å; D451-R509 IonicContact OD1-CZ 3.38Å; D451-R509 IonicContact OD1-NH1 2.84Å; D451-R509 IonicContact OD1-NH2 3.08Å; D451-R509 PolarHBondContact OD1-NH2 3.36Å; D451-R509 VanDerWaalsContact OD1-NH2 3.08Å; D451-R509 IonicContact OD2-CZ 3.93Å; D451-R509 IonicContact OD2-NH1 3.91Å; D451-R509 PolarHBondContact OD2-NH1 3.07Å; D451-R509 IonicContact OD2-NH2 3.31Å; D451-R509 PolarHBondContact OD2-NH2 2.93Å; D453-R509 HydrophobicContact CB-CB 4.22Å; D453-R509 WeakPolarHBondContact OD2-CG 3.01Å; D453-R509 IonicContact OD2-CZ 2.67Å; D453-R509 PolarHBondContact OD2-N 3.24Å; D453-R509 IonicContact OD2-NE 3.1Å; D453-R509 PolarHBondContact OD2-NE 3.36Å; D453-R509 VanDerWaalsContact OD2-NE 3.1Å; D453-R509 IonicContact OD2-NH2 3.9Å | ||
| 510 | G | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.1 | -148.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T420 D453 R508 | T420-G510 VanDerWaalsContact OG1-CA 3.31Å; T420-G510 WeakPolarHBondContact OG1-CA 3.38Å; D453-G510 PolarHBondContact N-O 2.53Å; D453-G510 WeakPolarHBondContact O-CA 3.4Å; D453-G510 PolarHBondContact O-N 2.82Å; R508-G510 PolarHBondContact O-N 3.41Å |
| 511 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.6 | -177.9 | 65.9 | -102.2 | 0 | 0 | 0 | 113.4 | Y419 T420 W435 F449 D451 F452 L454 L465 F500 A513 | Y419-F511 WeakPolarHBondContact CA-O 3.31Å; T420-F511 HydrophobicContact CG2-CD1 3.26Å; T420-F511 HydrophobicContact CG2-CD2 4.32Å; T420-F511 HydrophobicContact CG2-CE1 3.25Å; T420-F511 HydrophobicContact CG2-CE2 4.31Å; T420-F511 HydrophobicContact CG2-CG 3.82Å; T420-F511 HydrophobicContact CG2-CZ 3.81Å; T420-F511 PolarHBondContact N-O 3.29Å; T420-F511 VanDerWaalsContact N-O 3.08Å; T420-F511 PolarHBondContact OG1-N 3.09Å; T420-F511 PolarHBondContact OG1-O 3.35Å; W435-F511 HydrophobicContact CH2-CE2 4.29Å; W435-F511 AromaticContact CH2-CZ 3.66Å; W435-F511 HydrophobicContact CH2-CZ 3.66Å; W435-F511 AromaticContact CZ3-CZ 3.78Å; W435-F511 HydrophobicContact CZ3-CZ 3.78Å; F449-F511 HydrophobicContact CD1-CB 4.34Å; F449-F511 HydrophobicContact CD1-CD2 4.47Å; F449-F511 HydrophobicContact CE1-CD2 4.23Å; F449-F511 HydrophobicContact CE1-CG 4.37Å; D451-F511 VanDerWaalsContact O-CA 3.3Å; D451-F511 WeakPolarHBondContact O-CA 3.26Å; D451-F511 WeakPolarHBondContact O-CB 3.06Å; F452-F511 HydrophobicContact CB-CB 4.45Å; F452-F511 HydrophobicContact CD2-CB 3.63Å; F452-F511 HydrophobicContact CD2-CD1 4.43Å; F452-F511 HydrophobicContact CD2-CG 4.24Å; F452-F511 HydrophobicContact CE2-CB 4.28Å; F452-F511 HydrophobicContact CE2-CD1 4.25Å; F452-F511 HydrophobicContact CE2-CG 4.49Å; F452-F511 HydrophobicContact CG-CB 4.36Å; L454-F511 HydrophobicContact CD2-CD1 4.44Å; L465-F511 HydrophobicContact CB-CE1 4.32Å; L465-F511 HydrophobicContact CD1-CE1 3.87Å; L465-F511 HydrophobicContact CD1-CZ 3.82Å; L465-F511 HydrophobicContact CD2-CD1 4.16Å; L465-F511 HydrophobicContact CD2-CE1 3.81Å; L465-F511 HydrophobicContact CD2-CE2 4.36Å; L465-F511 HydrophobicContact CD2-CZ 3.92Å; L465-F511 HydrophobicContact CG-CE1 4.22Å; L465-F511 HydrophobicContact CG-CZ 4.45Å; F500-F511 HydrophobicContact CB-CE1 4.35Å; F500-F511 HydrophobicContact CD2-CE1 4.01Å; F500-F511 HydrophobicContact CG-CE1 4.28Å; F511-A513 HydrophobicContact CD2-CB 4.05Å; F511-A513 HydrophobicContact CE2-CB 4.33Å |
| 512 | S | 95 | Very high | 91.2 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.3 | 167.4 | 171.9 | 0 | 0 | 0 | 0 | 108.3 | L418 Y419 A450 D451 | L418-S512 WeakPolarHBondContact O-CA 3.28Å; Y419-S512 WeakPolarHBondContact CD1-OG 3.4Å; Y419-S512 VanDerWaalsContact CE1-OG 3.23Å; Y419-S512 WeakPolarHBondContact CE1-OG 3.4Å; A450-S512 PolarHBondContact N-O 2.93Å; D451-S512 PolarHBondContact N-O 3.43Å; D451-S512 PolarHBondContact O-N 2.86Å |
| 513 | A | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S417 L418 L447 T448 F449 F511 | S417-A513 CarbonylContact C-O 3.6Å; S417-A513 VanDerWaalsContact CA-O 3.24Å; S417-A513 WeakPolarHBondContact CA-O 3.12Å; L418-A513 PolarHBondContact N-O 2.66Å; L418-A513 PolarHBondContact O-N 3.07Å; L447-A513 HydrophobicContact CD1-CB 3.76Å; T448-A513 CarbonylContact O-C 3.44Å; T448-A513 WeakPolarHBondContact O-CA 3.44Å; T448-A513 WeakPolarHBondContact O-CB 3.49Å; F449-A513 HydrophobicContact CD1-CB 3.75Å; F449-A513 HydrophobicContact CE1-CB 3.88Å; F511-A513 HydrophobicContact CD2-CB 4.05Å; F511-A513 HydrophobicContact CE2-CB 4.33Å |
| 514 | G | 94.8 | Very high | 86.7 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T448 | T448-G514 PolarHBondContact N-O 3.45Å; T448-G514 PolarHBondContact O-N 3.1Å; T448-G514 PolarHBondContact OG1-O 2.9Å |
| 515 | L | 94.8 | Very high | 84.5 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.5 | 173.7 | -65.4 | 170.4 | 0 | 0 | 0 | 111 | V412 I416 L418 I437 V445 L447 | V412-L515 HydrophobicContact CG1-CD1 4.12Å; I416-L515 HydrophobicContact CG2-CD1 4.15Å; I416-L515 PolarHBondContact O-N 2.81Å; L418-L515 HydrophobicContact CD1-CD1 3.64Å; L418-L515 HydrophobicContact CD1-CD2 4.49Å; L418-L515 HydrophobicContact CD1-CG 4.15Å; L418-L515 HydrophobicContact CD2-CD1 4.4Å; L418-L515 HydrophobicContact CG-CD1 3.88Å; L418-L515 HydrophobicContact CG-CG 4.35Å; I437-L515 HydrophobicContact CG1-CD1 3.8Å; I437-L515 HydrophobicContact CG1-CD2 4.35Å; I437-L515 HydrophobicContact CG2-CD1 4.05Å; V445-L515 HydrophobicContact CG1-CD2 3.96Å; L447-L515 HydrophobicContact CD1-CD2 3.8Å |
| 516 | T | 94.5 | Very high | 81.9 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154 | 171.8 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | K446 | K446-T516 PolarHBondContact N-O 3.22Å; K446-T516 PolarHBondContact O-N 3.19Å |
| 517 | F | 94 | Very high | 79.4 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.1 | -179.5 | -57 | -35.8 | 0 | 0 | 0 | 110.3 | Q415 I437 P440 H443 L444 V445 | Q415-F517 HydrophobicContact CG-CD2 3.73Å; Q415-F517 HydrophobicContact CG-CE2 3.82Å; Q415-F517 HydrophobicContact CG-CG 4.23Å; Q415-F517 HydrophobicContact CG-CZ 4.38Å; I437-F517 HydrophobicContact CG2-CE1 4.07Å; I437-F517 HydrophobicContact CG2-CZ 4.45Å; P440-F517 HydrophobicContact CG-CD2 4.06Å; P440-F517 HydrophobicContact CG-CE2 4.43Å; H443-F517 HydrophobicContact CB-CB 4.12Å; L444-F517 CarbonylContact O-C 3.59Å; L444-F517 VanDerWaalsContact O-CA 3.3Å; L444-F517 WeakPolarHBondContact O-CA 3.39Å; V445-F517 HydrophobicContact CG1-CE1 4.4Å; V445-F517 HydrophobicContact CG2-CD1 4.27Å; V445-F517 HydrophobicContact CG2-CE1 4.15Å |
| 518 | I | 91.2 | Very high | 76.5 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.9 | -178.8 | -53.5 | -179.4 | 0 | 0 | 0 | 109.3 | H443 L444 K446 L490 | H443-I518 CarbonylContact C-O 3.54Å; H443-I518 WeakPolarHBondContact CA-O 3.38Å; L444-I518 PolarHBondContact N-O 3.25Å; L444-I518 PolarHBondContact O-N 3.01Å; K446-I518 HydrophobicContact CB-CD1 3.88Å; K446-I518 HydrophobicContact CB-CG1 4.06Å; K446-I518 HydrophobicContact CD-CD1 4.03Å; K446-I518 HydrophobicContact CG-CD1 4.29Å; L490-I518 HydrophobicContact CD2-CD1 3.57Å |
| 519 | S | 88.5 | Confident | 73.4 | Confident | 39 Ų | 39 | 71 Ų | 71 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 133.3 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 111 | H443 Y521 T523 | H443-S519 PolarHBondContact CD2-N 3.16Å; S519-Y521 VanDerWaalsContact C-N 3.34Å; S519-Y521 PolarHBondContact OG-N 3.09Å; S519-Y521 VanDerWaalsContact OG-N 3.1Å; S519-Y521 PolarHBondContact OG-O 3.35Å; S519-T523 WeakPolarHBondContact O-CB 3.24Å; S519-T523 PolarHBondContact O-OG1 3.14Å |
| 520 | I | 83.8 | Confident | 70.5 | Confident | 82 Ų | 82 | 72.9 Ų | 72.9 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -85.5 | -12.1 | 171.6 | 74 | -164.2 | 0 | 0 | 0 | 112.3 | G442 L444 | G442-I520 VanDerWaalsContact O-CG1 3.23Å; G442-I520 WeakPolarHBondContact O-CG1 3.31Å; G442-I520 PolarHBondContact O-N 3.18Å; L444-I520 HydrophobicContact CD1-CG2 4.2Å; L444-I520 HydrophobicContact CD2-CG2 4.25Å; L444-I520 HydrophobicContact CG-CG2 3.72Å |
| 521 | Y | 72.3 | Confident | 67.6 | Low | 184 Ų | 184 | 77.9 Ų | 77.9 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -85.6 | 114.6 | 172.9 | -62.2 | -75.1 | 0 | 0 | 0 | 108.7 | S519 | S519-Y521 VanDerWaalsContact C-N 3.34Å; S519-Y521 PolarHBondContact OG-N 3.09Å; S519-Y521 VanDerWaalsContact OG-N 3.1Å; S519-Y521 PolarHBondContact OG-O 3.35Å |
| 522 | G | 56.2 | Low | 64.8 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 90% | 0.897 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 93.8 | -5.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 523 | T | 52.1 | Low | 62 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | trans | -103.5 | 113.4 | -178.7 | -41.8 | 0 | 0 | 0 | 0 | 110.7 | S519 L525 | S519-T523 WeakPolarHBondContact O-CB 3.24Å; S519-T523 PolarHBondContact O-OG1 3.14Å; T523-L525 HydrophobicContact CG2-CG 4.37Å; T523-L525 PolarHBondContact O-N 3.12Å; T523-L525 VanDerWaalsContact O-N 3.1Å | ||
| 524 | V | 45.8 | Very low | 59.1 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 70% | 0.703 | 55% | 0.55 | S | S | * | * | trans | -75.6 | 93.4 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | F526 | V524-F526 HydrophobicContact CG1-CD2 3.88Å; V524-F526 HydrophobicContact CG1-CE2 3.64Å; V524-F526 HydrophobicContact CG1-CZ 4.3Å; V524-F526 PolarHBondContact O-N 2.96Å; V524-F526 VanDerWaalsContact O-N 3.14Å | ||
| 525 | L | 48.6 | Very low | 56.2 | Low | 68 Ų | 68 | 108 Ų | 108 | 36% | 0.356 | 58% | 0.583 | S | S | . | * | trans | -73.5 | 99.3 | 172.5 | -94.3 | 138.3 | 0 | 0 | 0 | 109 | L444 L490 T523 V527 | L444-L525 HydrophobicContact CD1-CD1 4.12Å; L490-L525 HydrophobicContact CD1-CD2 3.78Å; T523-L525 HydrophobicContact CG2-CG 4.37Å; T523-L525 PolarHBondContact O-N 3.12Å; T523-L525 VanDerWaalsContact O-N 3.1Å; L525-V527 VanDerWaalsContact C-N 3.34Å; L525-V527 HydrophobicContact CB-CG2 4.45Å; L525-V527 PolarHBondContact O-N 3.37Å | ||
| 526 | F | 41.1 | Very low | 53.2 | Low | 186 Ų | 186 | 113.4 Ų | 113.4 | 82% | 0.816 | 62% | 0.62 | S | S | * | * | trans | -71.8 | 91.2 | 165.1 | -82.6 | -86.1 | 0 | 0 | 0 | 108.9 | V524 C528 | V524-F526 HydrophobicContact CG1-CD2 3.88Å; V524-F526 HydrophobicContact CG1-CE2 3.64Å; V524-F526 HydrophobicContact CG1-CZ 4.3Å; V524-F526 PolarHBondContact O-N 2.96Å; V524-F526 VanDerWaalsContact O-N 3.14Å; F526-C528 PolarHBondContact O-N 3.22Å | ||
| 527 | V | 41.4 | Very low | 49.9 | Very low | 95 Ų | 95 | 118 Ų | 118 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | trans | -80.7 | 94.8 | 169.2 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | L525 F529 | L525-V527 VanDerWaalsContact C-N 3.34Å; L525-V527 HydrophobicContact CB-CG2 4.45Å; L525-V527 PolarHBondContact O-N 3.37Å; V527-F529 HydrophobicContact CG1-CD2 3.76Å; V527-F529 HydrophobicContact CG1-CE2 3.66Å; V527-F529 HydrophobicContact CG1-CZ 4.49Å; V527-F529 PolarHBondContact O-N 3.31Å; V527-F529 VanDerWaalsContact O-N 3.07Å | ||
| 528 | C | 34.9 | Very low | 46.8 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 73% | 0.73 | 67% | 0.673 | S | S | * | * | trans | -71.5 | 95.5 | 165.1 | -93.5 | 0 | 0 | 0 | 0 | 108.5 | F526 I530 | F526-C528 PolarHBondContact O-N 3.22Å; C528-I530 HydrophobicContact CB-CG1 4.36Å; C528-I530 PolarHBondContact O-N 2.79Å; C528-I530 VanDerWaalsContact O-N 3.11Å | ||
| 529 | F | 32 | Very low | 43.6 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | trans | -68 | 102.1 | 155.8 | -83.4 | -87.8 | 0 | 0 | 0 | 106.5 | V527 P531 | V527-F529 HydrophobicContact CG1-CD2 3.76Å; V527-F529 HydrophobicContact CG1-CE2 3.66Å; V527-F529 HydrophobicContact CG1-CZ 4.49Å; V527-F529 PolarHBondContact O-N 3.31Å; V527-F529 VanDerWaalsContact O-N 3.07Å; F529-P531 VanDerWaalsContact O-CD 3.27Å; F529-P531 WeakPolarHBondContact O-CD 3.43Å | ||
| 530 | I | 33.6 | Very low | 40.8 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | -88.1 | 107.2 | 165.4 | -58.6 | 172.7 | 0 | 0 | 0 | 105.6 | C528 C532 | C528-I530 HydrophobicContact CB-CG1 4.36Å; C528-I530 PolarHBondContact O-N 2.79Å; C528-I530 VanDerWaalsContact O-N 3.11Å; I530-C532 PolarHBondContact O-N 3.07Å | ||
| 531 | P | 33.8 | Very low | 38.4 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 127.2 | 162.1 | -5.1 | 22.9 | 0 | 0 | 0 | 106.3 | F529 H533 | F529-P531 VanDerWaalsContact O-CD 3.27Å; F529-P531 WeakPolarHBondContact O-CD 3.43Å; P531-H533 PolarHBondContact O-N 2.88Å | ||
| 532 | C | 36.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -66.4 | 83.5 | 169.7 | -157.4 | 0 | 0 | 0 | 0 | 108.1 | I530 | I530-C532 PolarHBondContact O-N 3.07Š|
| 533 | H | 36.7 | Very low | 35.7 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 155.2 | 88.8 | 161.8 | -92 | -70.8 | 0 | 0 | 0 | 108.1 | P531 | P531-H533 PolarHBondContact O-N 2.88Š|
| 534 | I | 34.5 | Very low | 34.7 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 174.3 | 134.8 | 140.9 | -86.7 | 149.9 | 0 | 0 | 0 | 107.5 | ||
| 535 | K | 33.9 | Very low | 34.1 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -55.4 | 143.4 | -177.5 | -71.3 | 174.9 | 174.2 | 177.8 | 0 | 112.1 | ||||
| 536 | C | 31.7 | Very low | 33.2 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -42.6 | 140.5 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 537 | L | 25.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -137.7 | 105.8 | 140.3 | -148 | 83 | 0 | 0 | 0 | 108.1 | I539 | L537-I539 HydrophobicContact CD2-CD1 4.28Å; L537-I539 HydrophobicContact CD2-CG1 4.44Å | ||
| 538 | C | 29.5 | Very low | 32 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -65.9 | 131.6 | 164.4 | -75.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 539 | I | 24 | Very low | 31.8 | Very low | 136 Ų | 136 | 155 Ų | 155 | 70% | 0.697 | 82% | 0.823 | S | S | * | * | trans | -133.3 | 108.9 | 153.7 | -59.1 | -179.6 | 0 | 0 | 0 | 106.7 | L537 F541 | L537-I539 HydrophobicContact CD2-CD1 4.28Å; L537-I539 HydrophobicContact CD2-CG1 4.44Å; I539-F541 HydrophobicContact CG2-CD2 4.32Å | ||
| 540 | C | 29.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -71.3 | 141.5 | 163.9 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 541 | F | 32.4 | Very low | 31.6 | Very low | 271 Ų | 271 | 153.1 Ų | 153.1 | 100% | 1.189 | 83% | 0.83 | S | S | * | * | trans | -144.6 | 0 | 144.3 | -100.2 | -75.8 | 0 | 0 | 0 | 109.2 | I539 | I539-F541 HydrophobicContact CG2-CD2 4.32Š|
Retrieved 541 of 541 residues in 130.8 ms
(Link to these results)