| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.9 | Very low | 82.7 | Confident | 245 Ų | 245 | 84.6 Ų | 84.6 | 100% | 1.207 | 43% | 0.429 | S | S | * | . | 0 | 110.3 | 0 | -84.3 | 171 | 159.7 | 0 | 0 | 106.8 | |||||
| 2 | G | 54.3 | Low | 84 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 75% | 0.753 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 143.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D4 | G2-D4 PolarHBondContact O-N 3.27Š|
| 3 | K | 62.4 | Low | 85 | Confident | 204 Ų | 204 | 77.3 Ų | 77.3 | 89% | 0.887 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 136.3 | 166 | -109.6 | 179.4 | 174.5 | 179.6 | 0 | 107.9 | K5 | K3-K5 PolarHBondContact O-N 3.42Š|
| 4 | D | 78.5 | Confident | 85.8 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 83% | 0.829 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 127.3 | 168.1 | -68.8 | -20.2 | 0 | 0 | 0 | 108.6 | G2 | G2-D4 PolarHBondContact O-N 3.27Š|
| 5 | K | 89 | Confident | 86.4 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -68 | 134 | 180 | -71.4 | -75.9 | -173.5 | 168.8 | 0 | 108.6 | K3 V7 D127 I128 G290 | K3-K5 PolarHBondContact O-N 3.42Å; K5-V7 PolarHBondContact O-N 2.95Å; K5-D127 HydrophobicContact CB-CB 4.41Å; K5-D127 HydrophobicContact CD-CB 3.72Å; K5-I128 HydrophobicContact CB-CD1 4.47Å; K5-G290 PolarHBondContact NZ-O 3.28Å |
| 6 | R | 97.4 | Very high | 86.9 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 123.7 | 173.1 | -62 | 165.8 | -64.3 | 163.1 | 5.9 | 107.8 | G124 V125 T126 D127 I128 | R6-G124 PolarHBondContact NH1-O 2.82Å; R6-G124 PolarHBondContact NH2-O 3.25Å; R6-V125 PolarHBondContact NH1-O 3.38Å; R6-V125 VanDerWaalsContact NH1-O 3.1Å; R6-T126 PolarHBondContact O-OG1 3.35Å; R6-D127 WeakPolarHBondContact CB-OD2 3.41Å; R6-D127 IonicContact CZ-OD1 3.7Å; R6-D127 IonicContact CZ-OD2 3.56Å; R6-D127 PolarHBondContact N-OD2 3.48Å; R6-D127 IonicContact NE-OD1 3.09Å; R6-D127 IonicContact NE-OD2 2.65Å; R6-D127 PolarHBondContact NE-OD2 3.39Å; R6-D127 VanDerWaalsContact NE-OD2 3.09Å; R6-D127 IonicContact NH2-OD1 3.67Å; R6-D127 PolarHBondContact NH2-OD1 3.2Å; R6-D127 IonicContact NH2-OD2 3.69Å; R6-D127 PolarHBondContact O-N 3.02Å; R6-I128 PolarHBondContact O-N 2.99Å |
| 7 | V | 98.5 | Very high | 87.5 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.9 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | K5 M47 K48 I128 I130 L318 | K5-V7 PolarHBondContact O-N 2.95Å; V7-M47 HydrophobicContact CB-CB 4.01Å; V7-M47 HydrophobicContact CG1-CB 4.2Å; V7-M47 HydrophobicContact CG1-SD 4.47Å; V7-M47 WeakPolarHBondContact O-CB 3.27Å; V7-K48 PolarHBondContact O-N 2.78Å; V7-I128 WeakPolarHBondContact CA-O 3.28Å; V7-I128 HydrophobicContact CG1-CB 4.29Å; V7-I128 HydrophobicContact CG1-CG2 4.27Å; V7-I128 HydrophobicContact CG2-CB 4.18Å; V7-I128 HydrophobicContact CG2-CD1 4.32Å; V7-I130 HydrophobicContact CG1-CD1 3.78Å; V7-I130 HydrophobicContact CG1-CG1 4.28Å; V7-L318 HydrophobicContact CB-CD2 3.77Å; V7-L318 HydrophobicContact CG1-CD2 3.98Å; V7-L318 HydrophobicContact CG2-CD2 3.75Å |
| 8 | V | 98.6 | Very high | 88 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.6 | 172.1 | 169.4 | 0 | 0 | 0 | 0 | 109.2 | F10 K48 Y50 Y120 T126 I128 A129 I130 | V8-F10 HydrophobicContact CB-CE2 4.43Å; V8-F10 HydrophobicContact CG1-CD2 3.98Å; V8-F10 HydrophobicContact CG1-CE1 4.1Å; V8-F10 HydrophobicContact CG1-CE2 3.45Å; V8-F10 VanDerWaalsContact CG1-CE2 3.45Å; V8-F10 HydrophobicContact CG1-CZ 3.53Å; V8-K48 CarbonylContact C-O 3.52Å; V8-K48 VanDerWaalsContact CA-O 3.3Å; V8-K48 WeakPolarHBondContact CA-O 3.35Å; V8-K48 HydrophobicContact CG2-CB 4.24Å; V8-Y50 HydrophobicContact CG1-CD2 3.63Å; V8-Y50 HydrophobicContact CG1-CE2 4.14Å; V8-Y50 HydrophobicContact CG2-CD2 4.42Å; V8-Y50 HydrophobicContact CG2-CE2 4.09Å; V8-Y120 HydrophobicContact CG1-CD1 4.48Å; V8-Y120 HydrophobicContact CG2-CD1 4.2Å; V8-T126 HydrophobicContact CB-CG2 4.38Å; V8-T126 HydrophobicContact CG2-CG2 4.32Å; V8-T126 WeakPolarHBondContact CG2-OG1 3.41Å; V8-T126 PolarHBondContact N-OG1 3.19Å; V8-I128 PolarHBondContact N-O 2.83Å; V8-A129 CarbonylContact O-C 3.53Å; V8-A129 WeakPolarHBondContact O-CA 3.39Å; V8-I130 PolarHBondContact O-N 3.02Å |
| 9 | Y | 98.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.7 | 173 | 171.5 | -140.7 | 0 | 0 | 0 | 110 | H35 V38 M47 K48 V49 Y50 I130 W132 | Y9-H35 AromaticContact CE1-ND1 3.45Å; Y9-H35 WeakPolarHBondContact CE1-ND1 3.44Å; Y9-H35 AromaticContact CZ-ND1 3.9Å; Y9-V38 HydrophobicContact CD1-CG1 4.26Å; Y9-V38 HydrophobicContact CE1-CG1 3.99Å; Y9-M47 WeakPolarHBondContact CB-SD 3.49Å; Y9-M47 HydrophobicContact CD1-CE 3.5Å; Y9-M47 HydrophobicContact CD1-SD 4.4Å; Y9-M47 HydrophobicContact CE1-CE 4.38Å; Y9-M47 HydrophobicContact CG-CE 3.94Å; Y9-M47 HydrophobicContact CG-SD 4.27Å; Y9-K48 PolarHBondContact N-O 3.17Å; Y9-V49 HydrophobicContact CD1-CG1 4.12Å; Y9-V49 HydrophobicContact CD1-CG2 4.15Å; Y9-V49 VanDerWaalsContact O-CA 3.28Å; Y9-V49 WeakPolarHBondContact O-CA 3.29Å; Y9-Y50 PolarHBondContact O-N 3.02Å; Y9-I130 HydrophobicContact CD2-CB 4.08Å; Y9-I130 HydrophobicContact CD2-CG2 3.92Å; Y9-I130 HydrophobicContact CE2-CG2 4.43Å; Y9-W132 AromaticContact CE2-CD1 3.48Å; Y9-W132 VanDerWaalsContact CE2-CD1 3.48Å; Y9-W132 HydrophobicContact CE2-CG 4.38Å; Y9-W132 AromaticContact CZ-CD1 3.95Å |
| 10 | F | 98.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.3 | 175.8 | -65.7 | -80.5 | 0 | 0 | 0 | 110.3 | V8 Y50 P52 A113 Q116 A117 Y120 A129 I130 | V8-F10 HydrophobicContact CB-CE2 4.43Å; V8-F10 HydrophobicContact CG1-CD2 3.98Å; V8-F10 HydrophobicContact CG1-CE1 4.1Å; V8-F10 HydrophobicContact CG1-CE2 3.45Å; V8-F10 VanDerWaalsContact CG1-CE2 3.45Å; V8-F10 HydrophobicContact CG1-CZ 3.53Å; F10-Y50 WeakPolarHBondContact CA-O 3.4Å; F10-Y50 HydrophobicContact CE1-CD2 4.45Å; F10-P52 HydrophobicContact CB-CB 4.39Å; F10-P52 HydrophobicContact CD1-CB 4.02Å; F10-A113 HydrophobicContact CB-CB 3.95Å; F10-Q116 HydrophobicContact CE1-CB 3.97Å; F10-Q116 VanDerWaalsContact CE1-CD 3.5Å; F10-Q116 HydrophobicContact CE1-CG 3.61Å; F10-Q116 HydrophobicContact CZ-CB 4.11Å; F10-Q116 HydrophobicContact CZ-CG 3.83Å; F10-A117 HydrophobicContact CD2-CB 3.87Å; F10-A117 VanDerWaalsContact CE2-CA 3.49Å; F10-A117 HydrophobicContact CE2-CB 3.52Å; F10-A117 HydrophobicContact CZ-CB 4.44Å; F10-Y120 HydrophobicContact CZ-CD1 4.15Å; F10-Y120 HydrophobicContact CZ-CE1 4.25Å; F10-Y120 HydrophobicContact CZ-CG 4.27Å; F10-A129 HydrophobicContact CE2-CB 4.32Å; F10-I130 PolarHBondContact N-O 2.81Å |
| 11 | Y | 98.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | trans | -144.2 | 123.9 | 178.1 | 176.8 | -103 | 0 | 0 | 0 | 110.7 | P13 H35 Y50 K51 | Y11-P13 HydrophobicContact CE1-CB 4.38Å; Y11-P13 HydrophobicContact CE1-CG 4.18Å; Y11-H35 AromaticContact CD1-CD2 3.96Å; Y11-H35 AromaticContact CD1-CE1 3.32Å; Y11-H35 WeakPolarHBondContact CD1-CE1 3.38Å; Y11-H35 AromaticContact CD1-CG 3.76Å; Y11-H35 AromaticContact CD1-ND1 3.34Å; Y11-H35 VanDerWaalsContact CD1-ND1 3.34Å; Y11-H35 WeakPolarHBondContact CD1-ND1 3.43Å; Y11-H35 AromaticContact CD1-NE2 3.7Å; Y11-H35 HydrophobicContact CD2-CB 3.7Å; Y11-H35 AromaticContact CD2-CG 3.67Å; Y11-H35 AromaticContact CD2-ND1 3.49Å; Y11-H35 WeakPolarHBondContact CD2-ND1 3.33Å; Y11-H35 HydrophobicContact CE1-CB 4.29Å; Y11-H35 AromaticContact CE1-CD2 3.52Å; Y11-H35 AromaticContact CE1-CE1 3.69Å; Y11-H35 AromaticContact CE1-CG 3.58Å; Y11-H35 AromaticContact CE1-ND1 3.68Å; Y11-H35 AromaticContact CE1-NE2 3.59Å; Y11-H35 HydrophobicContact CE2-CB 3.31Å; Y11-H35 AromaticContact CE2-CG 3.5Å; Y11-H35 VanDerWaalsContact CE2-CG 3.5Å; Y11-H35 AromaticContact CE2-ND1 3.83Å; Y11-H35 HydrophobicContact CG-CB 4.34Å; Y11-H35 AromaticContact CG-CE1 3.65Å; Y11-H35 AromaticContact CG-CG 3.79Å; Y11-H35 AromaticContact CG-ND1 3.22Å; Y11-H35 AromaticContact CZ-CD2 3.63Å; Y11-H35 AromaticContact CZ-CG 3.44Å; Y11-H35 VanDerWaalsContact CZ-CG 3.44Å; Y11-H35 AromaticContact CZ-ND1 3.91Å; Y11-Y50 PolarHBondContact N-O 3.1Å; Y11-K51 WeakPolarHBondContact O-CA 3.36Å | ||
| 12 | D | 98.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -102.5 | 125.5 | 167.8 | -166.5 | -51.2 | 0 | 0 | 0 | 109.3 | D14 C15 K51 P52 H54 I109 | D12-D14 PolarHBondContact O-N 2.93Å; D12-D14 VanDerWaalsContact O-N 3.07Å; D12-D14 WeakPolarHBondContact OD1-CB 3.37Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D12-C15 WeakPolarHBondContact O-CB 3.34Å; D12-C15 PolarHBondContact O-N 3.43Å; D12-C15 VanDerWaalsContact O-N 3.09Å; D12-C15 PolarHBondContact O-SG 3.32Å; D12-K51 WeakPolarHBondContact OD2-CE 3.48Å; D12-K51 IonicContact OD2-NZ 3.39Å; D12-P52 HydrophobicContact CB-CG 4.24Å; D12-H54 IonicContact OD2-CD2 2.97Å; D12-H54 IonicContact OD2-CE1 3.02Å; D12-H54 IonicContact OD2-NE2 3.16Å; D12-H54 PolarHBondContact OD2-NE2 3.34Å; D12-I109 HydrophobicContact CB-CG2 3.58Å | ||
| 13 | P | 97.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.7 | 176.6 | -27.4 | 35.9 | 0 | 0 | 0 | 115.3 | Y11 | Y11-P13 HydrophobicContact CE1-CB 4.38Å; Y11-P13 HydrophobicContact CE1-CG 4.18Å |
| 14 | D | 96.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -15.3 | -179.2 | -71.9 | -30.7 | 0 | 0 | 0 | 113.6 | D12 G16 N17 F18 R105 I109 | D12-D14 PolarHBondContact O-N 2.93Å; D12-D14 VanDerWaalsContact O-N 3.07Å; D12-D14 WeakPolarHBondContact OD1-CB 3.37Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D14-G16 PolarHBondContact O-N 2.93Å; D14-N17 WeakPolarHBondContact O-CB 3.49Å; D14-N17 PolarHBondContact O-N 3.44Å; D14-N17 PolarHBondContact OD1-ND2 2.98Å; D14-F18 WeakPolarHBondContact O-CD2 3.32Å; D14-F18 WeakPolarHBondContact O-CE2 3.41Å; D14-R105 IonicContact OD2-CZ 2.77Å; D14-R105 IonicContact OD2-NH1 3.79Å; D14-R105 IonicContact OD2-NH2 3.74Å; D14-R105 PolarHBondContact OD2-NH2 2.82Å; D14-I109 HydrophobicContact CB-CD1 4.11Å |
| 15 | C | 94.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.7 | -172.7 | 70.8 | 0 | 0 | 0 | 0 | 114 | D12 P28 L31 I109 | D12-C15 WeakPolarHBondContact O-CB 3.34Å; D12-C15 PolarHBondContact O-N 3.43Å; D12-C15 VanDerWaalsContact O-N 3.09Å; D12-C15 PolarHBondContact O-SG 3.32Å; C15-P28 WeakPolarHBondContact O-CB 3.48Å; C15-L31 HydrophobicContact CB-CD1 3.86Å; C15-L31 VanDerWaalsContact SG-CB 3.56Å; C15-I109 HydrophobicContact CB-CG2 4.15Å |
| 16 | G | 94.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D14 P28 H29 T32 | D14-G16 PolarHBondContact O-N 2.93Å; G16-P28 WeakPolarHBondContact CA-O 3.43Å; G16-H29 WeakPolarHBondContact O-CA 3.45Å; G16-H29 PolarHBondContact O-N 3.08Å; G16-T32 WeakPolarHBondContact CA-OG1 3.14Å |
| 17 | N | 96.5 | Very high | 96.6 | Very high | 115 Ų | 115 | 37.1 Ų | 37.1 | 62% | 0.615 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -90.6 | -3.2 | -171.9 | -65.2 | -25.5 | 0 | 0 | 0 | 113.7 | D14 | D14-N17 WeakPolarHBondContact O-CB 3.49Å; D14-N17 PolarHBondContact O-N 3.44Å; D14-N17 PolarHBondContact OD1-ND2 2.98Å |
| 18 | F | 97.5 | Very high | 96.5 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | trans | -85.3 | 148.2 | -179.7 | -58.5 | -84 | 0 | 0 | 0 | 112.1 | D14 P28 F100 G102 R105 F106 I109 | D14-F18 WeakPolarHBondContact O-CD2 3.32Å; D14-F18 WeakPolarHBondContact O-CE2 3.41Å; F18-P28 HydrophobicContact CB-CB 4.3Å; F18-P28 HydrophobicContact CB-CG 4.1Å; F18-P28 WeakPolarHBondContact O-CD 3.47Å; F18-P28 WeakPolarHBondContact O-CG 3.34Å; F18-F100 HydrophobicContact CB-CD2 4.49Å; F18-F100 HydrophobicContact CB-CE2 4Å; F18-F100 HydrophobicContact CD1-CE2 4.1Å; F18-F100 HydrophobicContact CG-CE2 4.39Å; F18-G102 VanDerWaalsContact CE1-O 3.27Å; F18-G102 WeakPolarHBondContact CE1-O 3.31Å; F18-R105 HydrophobicContact CE1-CB 4.29Å; F18-R105 HydrophobicContact CZ-CB 4.34Å; F18-R105 HydrophobicContact CZ-CG 4.22Å; F18-F106 HydrophobicContact CB-CD2 4.15Å; F18-F106 HydrophobicContact CB-CG 4.33Å; F18-F106 HydrophobicContact CD1-CB 3.7Å; F18-F106 HydrophobicContact CD1-CG 4.38Å; F18-F106 HydrophobicContact CD2-CB 3.9Å; F18-F106 AromaticContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CE2 4.08Å; F18-F106 AromaticContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CE1-CB 3.75Å; F18-F106 HydrophobicContact CE2-CB 3.95Å; F18-F106 AromaticContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CG 4.28Å; F18-F106 HydrophobicContact CG-CB 3.76Å; F18-F106 AromaticContact CG-CD2 3.73Å; F18-F106 HydrophobicContact CG-CD2 3.73Å; F18-F106 AromaticContact CG-CG 3.94Å; F18-F106 HydrophobicContact CG-CG 3.94Å; F18-F106 HydrophobicContact CZ-CB 3.88Å; F18-F106 HydrophobicContact CZ-CD2 4.46Å; F18-I109 HydrophobicContact CE2-CD1 3.77Å; F18-I109 HydrophobicContact CZ-CD1 3.79Å | ||
| 19 | H | 96.6 | Very high | 96.5 | Very high | 102 Ų | 102 | 39 Ų | 39 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | trans | -138.7 | 105.1 | -174.2 | -178 | -123.9 | 0 | 0 | 0 | 112 | G21 P22 F100 | H19-G21 PolarHBondContact NE2-O 2.69Å; H19-G21 PolarHBondContact O-N 3.35Å; H19-G21 VanDerWaalsContact O-N 3.11Å; H19-P22 VanDerWaalsContact CE1-N 3.35Å; H19-F100 WeakPolarHBondContact O-CB 3.48Å | ||
| 20 | Y | 96.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -63.6 | -16.1 | 179.2 | -82.1 | -125.6 | 0 | 0 | 0 | 113.8 | H24 M26 P28 P98 F100 F106 F147 Y149 | Y20-H24 WeakPolarHBondContact CB-ND1 3.22Å; Y20-H24 AromaticContact CD1-CE1 3.35Å; Y20-H24 WeakPolarHBondContact CD1-CE1 3.43Å; Y20-H24 AromaticContact CD1-ND1 3.58Å; Y20-H24 AromaticContact CD1-NE2 3.73Å; Y20-H24 AromaticContact CG-ND1 3.82Å; Y20-M26 HydrophobicContact CD1-CB 4.08Å; Y20-M26 HydrophobicContact CD1-CG 4.35Å; Y20-M26 HydrophobicContact CD2-CB 4.43Å; Y20-M26 HydrophobicContact CD2-CG 4.1Å; Y20-M26 HydrophobicContact CE1-CB 4.22Å; Y20-M26 HydrophobicContact CE1-CG 4.13Å; Y20-M26 HydrophobicContact CE2-CG 3.89Å; Y20-M26 HydrophobicContact CG-CB 4.18Å; Y20-M26 HydrophobicContact CG-CG 4.32Å; Y20-P28 HydrophobicContact CD2-CG 4.07Å; Y20-P28 HydrophobicContact CE2-CG 4.06Å; Y20-P98 HydrophobicContact CD1-CG 4.46Å; Y20-P98 VanDerWaalsContact O-CG 3.28Å; Y20-P98 WeakPolarHBondContact O-CG 3.46Å; Y20-F100 HydrophobicContact CD1-CD1 4.34Å; Y20-F100 HydrophobicContact CD1-CE1 4.16Å; Y20-F100 AromaticContact CD2-CD1 3.96Å; Y20-F100 HydrophobicContact CD2-CD1 3.96Å; Y20-F100 AromaticContact CD2-CE1 3.65Å; Y20-F100 HydrophobicContact CD2-CE1 3.65Å; Y20-F100 AromaticContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CE1-CE1 4.03Å; Y20-F100 HydrophobicContact CE2-CD1 4.25Å; Y20-F100 AromaticContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE1 3.47Å; Y20-F100 VanDerWaalsContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE2 4.45Å; Y20-F100 AromaticContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CG-CD1 4.01Å; Y20-F100 HydrophobicContact CG-CE1 4Å; Y20-F100 AromaticContact CZ-CE1 3.68Å; Y20-F106 HydrophobicContact CE2-CD1 4.37Å; Y20-F106 AromaticContact CE2-CE1 3.95Å; Y20-F106 HydrophobicContact CE2-CE1 3.95Å; Y20-F106 WeakPolarHBondContact OH-CE1 3.28Å; Y20-F147 HydrophobicContact CE1-CB 3.98Å; Y20-F147 WeakPolarHBondContact CE1-O 3.44Å; Y20-F147 PolarHBondContact OH-O 3.15Å; Y20-Y149 AromaticContact CE1-CE2 3.65Å; Y20-Y149 HydrophobicContact CE1-CE2 3.65Å; Y20-Y149 AromaticContact CZ-CE2 3.81Å |
| 21 | G | 94.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | trans | 132.5 | 156 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | H19 N23 H24 K27 | H19-G21 PolarHBondContact NE2-O 2.69Å; H19-G21 PolarHBondContact O-N 3.35Å; H19-G21 VanDerWaalsContact O-N 3.11Å; G21-N23 PolarHBondContact O-N 3.35Å; G21-H24 PolarHBondContact O-N 3.05Å; G21-K27 PolarHBondContact O-NZ 2.83Å | ||
| 22 | P | 91.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 38.4 Ų | 38.4 | 68% | 0.675 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -43.9 | -169.1 | 20.8 | -32.1 | 0 | 0 | 0 | 112.8 | H19 K27 | H19-P22 VanDerWaalsContact CE1-N 3.35Å; P22-K27 PolarHBondContact O-NZ 3.04Å |
| 23 | N | 93 | Very high | 96.4 | Very high | 151 Ų | 151 | 38.3 Ų | 38.3 | 81% | 0.807 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.7 | -177.6 | -62.5 | -28.6 | 0 | 0 | 0 | 113.9 | G21 | G21-N23 PolarHBondContact O-N 3.35Š|
| 24 | H | 96.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | trans | -67.6 | 135 | -176.3 | -165.7 | -81.3 | 0 | 0 | 0 | 110.9 | Y20 G21 M26 K27 D96 F147 | Y20-H24 WeakPolarHBondContact CB-ND1 3.22Å; Y20-H24 AromaticContact CD1-CE1 3.35Å; Y20-H24 WeakPolarHBondContact CD1-CE1 3.43Å; Y20-H24 AromaticContact CD1-ND1 3.58Å; Y20-H24 AromaticContact CD1-NE2 3.73Å; Y20-H24 AromaticContact CG-ND1 3.82Å; G21-H24 PolarHBondContact O-N 3.05Å; H24-M26 VanDerWaalsContact CE1-CB 3.42Å; H24-M26 WeakPolarHBondContact CE1-CB 3.49Å; H24-M26 VanDerWaalsContact ND1-CB 3.32Å; H24-M26 WeakPolarHBondContact ND1-CB 3.47Å; H24-M26 PolarHBondContact ND1-N 2.96Å; H24-K27 WeakPolarHBondContact O-CE 3.28Å; H24-K27 PolarHBondContact O-NZ 3.05Å; H24-D96 PolarHBondContact NE2-O 3.47Å; H24-D96 VanDerWaalsContact NE2-O 3.16Å; H24-F147 AromaticContact CE1-CD1 3.21Å; H24-F147 WeakPolarHBondContact CE1-CD1 3.29Å; H24-F147 AromaticContact CE1-CE1 3.53Å; H24-F147 AromaticContact CE1-CG 3.51Å; H24-F147 AromaticContact NE2-CD1 3.15Å; H24-F147 WeakPolarHBondContact NE2-CD1 3.25Å; H24-F147 AromaticContact NE2-CE1 3.34Å; H24-F147 VanDerWaalsContact NE2-CE1 3.34Å; H24-F147 WeakPolarHBondContact NE2-CE1 3.32Å; H24-F147 AromaticContact NE2-CG 3.93Å | ||
| 25 | P | 96.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -68.6 | -34.8 | -176.1 | 26.5 | -35.2 | 0 | 0 | 0 | 113.3 | K27 F147 L269 Y301 | P25-K27 PolarHBondContact O-N 3.01Å; P25-F147 HydrophobicContact CG-CE1 4.14Å; P25-F147 HydrophobicContact CG-CE2 3.66Å; P25-F147 HydrophobicContact CG-CZ 3.37Å; P25-L269 HydrophobicContact CB-CD1 3.99Å; P25-L269 HydrophobicContact CB-CG 4.46Å; P25-L269 HydrophobicContact CG-CD1 3.85Å; P25-Y301 HydrophobicContact CB-CD1 3.91Å; P25-Y301 HydrophobicContact CB-CG 4.21Å; P25-Y301 HydrophobicContact CG-CD1 4.5Å |
| 26 | M | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | trans | -65.3 | 118.9 | 174.4 | -174.5 | 58.6 | 78.2 | 0 | 0 | 111.1 | Y20 H24 R30 F147 Y301 | Y20-M26 HydrophobicContact CD1-CB 4.08Å; Y20-M26 HydrophobicContact CD1-CG 4.35Å; Y20-M26 HydrophobicContact CD2-CB 4.43Å; Y20-M26 HydrophobicContact CD2-CG 4.1Å; Y20-M26 HydrophobicContact CE1-CB 4.22Å; Y20-M26 HydrophobicContact CE1-CG 4.13Å; Y20-M26 HydrophobicContact CE2-CG 3.89Å; Y20-M26 HydrophobicContact CG-CB 4.18Å; Y20-M26 HydrophobicContact CG-CG 4.32Å; H24-M26 VanDerWaalsContact CE1-CB 3.42Å; H24-M26 WeakPolarHBondContact CE1-CB 3.49Å; H24-M26 VanDerWaalsContact ND1-CB 3.32Å; H24-M26 WeakPolarHBondContact ND1-CB 3.47Å; H24-M26 PolarHBondContact ND1-N 2.96Å; M26-R30 PolarHBondContact SD-NH2 3.44Å; M26-R30 VanDerWaalsContact SD-NH2 3.38Å; M26-F147 HydrophobicContact CB-CB 4.45Å; M26-F147 HydrophobicContact CB-CD2 4.35Å; M26-F147 HydrophobicContact CB-CG 4.45Å; M26-F147 HydrophobicContact CE-CB 4.17Å; M26-F147 HydrophobicContact CE-CD2 4.22Å; M26-Y301 HydrophobicContact CE-CE1 3.89Å | ||
| 27 | K | 97.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | trans | -124.4 | 95 | 175.8 | -60 | -58.5 | -177.7 | -165.2 | 0 | 109.9 | G21 P22 H24 P25 H29 R30 V303 | G21-K27 PolarHBondContact O-NZ 2.83Å; P22-K27 PolarHBondContact O-NZ 3.04Å; H24-K27 WeakPolarHBondContact O-CE 3.28Å; H24-K27 PolarHBondContact O-NZ 3.05Å; P25-K27 PolarHBondContact O-N 3.01Å; K27-H29 PolarHBondContact O-N 2.93Å; K27-R30 WeakPolarHBondContact O-CB 3.47Å; K27-R30 VanDerWaalsContact O-CG 3.26Å; K27-R30 WeakPolarHBondContact O-CG 3.42Å; K27-R30 PolarHBondContact O-N 3.3Å; K27-V303 HydrophobicContact CB-CG2 3.77Å; K27-V303 HydrophobicContact CG-CG2 4.09Å | ||
| 28 | P | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -25.1 | 179 | -30.3 | 37.5 | 0 | 0 | 0 | 114.5 | C15 G16 F18 Y20 R30 L31 F106 | C15-P28 WeakPolarHBondContact O-CB 3.48Å; G16-P28 WeakPolarHBondContact CA-O 3.43Å; F18-P28 HydrophobicContact CB-CB 4.3Å; F18-P28 HydrophobicContact CB-CG 4.1Å; F18-P28 WeakPolarHBondContact O-CD 3.47Å; F18-P28 WeakPolarHBondContact O-CG 3.34Å; Y20-P28 HydrophobicContact CD2-CG 4.07Å; Y20-P28 HydrophobicContact CE2-CG 4.06Å; P28-R30 PolarHBondContact O-N 3.02Å; P28-L31 VanDerWaalsContact O-CB 3.26Å; P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; P28-L31 PolarHBondContact O-N 3.37Å; P28-F106 HydrophobicContact CB-CE2 4.27Å; P28-F106 HydrophobicContact CB-CZ 4.49Å; P28-F106 HydrophobicContact CG-CE2 4.41Å; P28-F106 HydrophobicContact CG-CZ 4.26Å |
| 29 | H | 97.5 | Very high | 97 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -24 | 171.1 | -169.1 | 63.6 | 0 | 0 | 0 | 114.6 | G16 K27 L31 T32 L33 Y333 F336 | G16-H29 WeakPolarHBondContact O-CA 3.45Å; G16-H29 PolarHBondContact O-N 3.08Å; K27-H29 PolarHBondContact O-N 2.93Å; H29-L31 PolarHBondContact O-N 3.36Å; H29-L31 VanDerWaalsContact O-N 3.12Å; H29-T32 WeakPolarHBondContact O-CB 3.43Å; H29-T32 PolarHBondContact O-N 3.04Å; H29-L33 PolarHBondContact O-N 3.2Å; H29-L33 VanDerWaalsContact O-N 3.16Å; H29-Y333 AromaticContact CE1-CE1 3.73Å; H29-Y333 AromaticContact NE2-CE1 4Å; H29-F336 AromaticContact CD2-CE1 3.83Å; H29-F336 AromaticContact CD2-CZ 3.98Å; H29-F336 AromaticContact NE2-CE1 3.81Å; H29-F336 AromaticContact NE2-CE2 4Å; H29-F336 AromaticContact NE2-CZ 3.5Å; H29-F336 WeakPolarHBondContact NE2-CZ 3.47Å |
| 30 | R | 98 | Very high | 97.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.6 | -29.5 | 170.3 | 71.4 | -165.3 | 178.5 | 141.5 | 8.5 | 113 | M26 K27 P28 T34 G298 G299 G300 V303 V306 W310 | M26-R30 PolarHBondContact SD-NH2 3.44Å; M26-R30 VanDerWaalsContact SD-NH2 3.38Å; K27-R30 WeakPolarHBondContact O-CB 3.47Å; K27-R30 VanDerWaalsContact O-CG 3.26Å; K27-R30 WeakPolarHBondContact O-CG 3.42Å; K27-R30 PolarHBondContact O-N 3.3Å; P28-R30 PolarHBondContact O-N 3.02Å; R30-T34 WeakPolarHBondContact O-CB 3.03Å; R30-T34 PolarHBondContact O-N 2.93Å; R30-T34 PolarHBondContact O-OG1 2.87Å; R30-G298 VanDerWaalsContact CZ-O 3.32Å; R30-G298 PolarHBondContact NH1-O 3.03Å; R30-G298 PolarHBondContact NH2-O 2.9Å; R30-G299 VanDerWaalsContact NH1-C 3.29Å; R30-G299 PolarHBondContact NH1-O 3.21Å; R30-G300 PolarHBondContact NH1-O 2.77Å; R30-V303 HydrophobicContact CB-CB 4.43Å; R30-V303 HydrophobicContact CB-CG1 3.71Å; R30-V306 HydrophobicContact CB-CB 4.41Å; R30-V306 HydrophobicContact CB-CG1 4.37Å; R30-V306 HydrophobicContact CG-CG1 4.3Å; R30-W310 HydrophobicContact CG-CZ3 4.38Å |
| 31 | L | 98.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.8 | -41.9 | 177.2 | -61 | 169.5 | 0 | 0 | 0 | 112.3 | C15 P28 H29 L33 T34 H35 W132 W310 | C15-L31 HydrophobicContact CB-CD1 3.86Å; C15-L31 VanDerWaalsContact SG-CB 3.56Å; P28-L31 VanDerWaalsContact O-CB 3.26Å; P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; P28-L31 PolarHBondContact O-N 3.37Å; H29-L31 PolarHBondContact O-N 3.36Å; H29-L31 VanDerWaalsContact O-N 3.12Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-T34 PolarHBondContact O-N 3.47Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.97Å; L31-W132 HydrophobicContact CD2-CB 4.23Å; L31-W132 VanDerWaalsContact CD2-O 3.24Å; L31-W132 WeakPolarHBondContact CD2-O 3.14Å; L31-W310 HydrophobicContact CD2-CE3 4.44Å; L31-W310 HydrophobicContact CD2-CH2 4.47Å; L31-W310 HydrophobicContact CD2-CZ3 3.65Å |
| 32 | T | 98 | Very high | 97.3 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | G16 H29 H35 T36 Y333 | G16-T32 WeakPolarHBondContact CA-OG1 3.14Å; H29-T32 WeakPolarHBondContact O-CB 3.43Å; H29-T32 PolarHBondContact O-N 3.04Å; T32-H35 PolarHBondContact O-N 3.36Å; T32-T36 WeakPolarHBondContact O-CB 3.37Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 3.28Å; T32-Y333 HydrophobicContact CG2-CE2 4.01Å |
| 33 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.7 | -62.1 | -168.2 | 0 | 0 | 0 | 111.8 | H29 L31 T36 L37 V303 A307 Y333 F336 F337 | H29-L33 PolarHBondContact O-N 3.2Å; H29-L33 VanDerWaalsContact O-N 3.16Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-T36 WeakPolarHBondContact O-CB 3.32Å; L33-T36 PolarHBondContact O-N 3.28Å; L33-L37 PolarHBondContact O-N 3.41Å; L33-V303 HydrophobicContact CD1-CG1 3.63Å; L33-A307 HydrophobicContact CB-CB 3.65Å; L33-Y333 VanDerWaalsContact CD2-CB 3.5Å; L33-Y333 HydrophobicContact CD2-CD1 3.74Å; L33-Y333 HydrophobicContact CD2-CD2 4.41Å; L33-Y333 HydrophobicContact CD2-CG 3.64Å; L33-F336 HydrophobicContact CD1-CB 3.83Å; L33-F336 HydrophobicContact CD1-CD1 3.81Å; L33-F336 HydrophobicContact CD1-CG 3.86Å; L33-F336 HydrophobicContact CD2-CB 4.44Å; L33-F336 HydrophobicContact CD2-CD2 4.18Å; L33-F336 HydrophobicContact CD2-CG 4.15Å; L33-F337 HydrophobicContact CB-CZ 4.33Å |
| 34 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -53.1 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | R30 L31 T36 L37 V38 W132 A307 W310 | R30-T34 WeakPolarHBondContact O-CB 3.03Å; R30-T34 PolarHBondContact O-N 2.93Å; R30-T34 PolarHBondContact O-OG1 2.87Å; L31-T34 PolarHBondContact O-N 3.47Å; T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 PolarHBondContact O-N 2.83Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-V38 HydrophobicContact CG2-CG2 4.41Å; T34-V38 WeakPolarHBondContact O-CG2 3.39Å; T34-V38 PolarHBondContact O-N 3.33Å; T34-W132 HydrophobicContact CG2-CG 4.23Å; T34-A307 WeakPolarHBondContact OG1-CA 3.47Å; T34-W310 HydrophobicContact CG2-CB 3.55Å; T34-W310 HydrophobicContact CG2-CE3 4.2Å |
| 35 | H | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 17% | 0.167 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 179.4 | -177.4 | 83.2 | 0 | 0 | 0 | 112 | Y9 Y11 L31 T32 L37 V38 V39 | Y9-H35 AromaticContact CE1-ND1 3.45Å; Y9-H35 WeakPolarHBondContact CE1-ND1 3.44Å; Y9-H35 AromaticContact CZ-ND1 3.9Å; Y11-H35 AromaticContact CD1-CD2 3.96Å; Y11-H35 AromaticContact CD1-CE1 3.32Å; Y11-H35 WeakPolarHBondContact CD1-CE1 3.38Å; Y11-H35 AromaticContact CD1-CG 3.76Å; Y11-H35 AromaticContact CD1-ND1 3.34Å; Y11-H35 VanDerWaalsContact CD1-ND1 3.34Å; Y11-H35 WeakPolarHBondContact CD1-ND1 3.43Å; Y11-H35 AromaticContact CD1-NE2 3.7Å; Y11-H35 HydrophobicContact CD2-CB 3.7Å; Y11-H35 AromaticContact CD2-CG 3.67Å; Y11-H35 AromaticContact CD2-ND1 3.49Å; Y11-H35 WeakPolarHBondContact CD2-ND1 3.33Å; Y11-H35 HydrophobicContact CE1-CB 4.29Å; Y11-H35 AromaticContact CE1-CD2 3.52Å; Y11-H35 AromaticContact CE1-CE1 3.69Å; Y11-H35 AromaticContact CE1-CG 3.58Å; Y11-H35 AromaticContact CE1-ND1 3.68Å; Y11-H35 AromaticContact CE1-NE2 3.59Å; Y11-H35 HydrophobicContact CE2-CB 3.31Å; Y11-H35 AromaticContact CE2-CG 3.5Å; Y11-H35 VanDerWaalsContact CE2-CG 3.5Å; Y11-H35 AromaticContact CE2-ND1 3.83Å; Y11-H35 HydrophobicContact CG-CB 4.34Å; Y11-H35 AromaticContact CG-CE1 3.65Å; Y11-H35 AromaticContact CG-CG 3.79Å; Y11-H35 AromaticContact CG-ND1 3.22Å; Y11-H35 AromaticContact CZ-CD2 3.63Å; Y11-H35 AromaticContact CZ-CG 3.44Å; Y11-H35 VanDerWaalsContact CZ-CG 3.44Å; Y11-H35 AromaticContact CZ-ND1 3.91Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.97Å; T32-H35 PolarHBondContact O-N 3.36Å; H35-L37 VanDerWaalsContact C-N 3.35Å; H35-L37 PolarHBondContact O-N 3.09Å; H35-V38 PolarHBondContact O-N 2.92Å; H35-V39 WeakPolarHBondContact NE2-CG2 3.49Å; H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.28Å |
| 36 | T | 97.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -47 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | T32 L33 T34 V39 N40 S331 Y333 | T32-T36 WeakPolarHBondContact O-CB 3.37Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 3.28Å; L33-T36 WeakPolarHBondContact O-CB 3.32Å; L33-T36 PolarHBondContact O-N 3.28Å; T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 PolarHBondContact O-N 2.83Å; T36-V39 PolarHBondContact O-N 3.4Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.37Å; T36-N40 WeakPolarHBondContact O-CB 3.01Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.21Å; T36-S331 VanDerWaalsContact CG2-CB 3.43Å; T36-S331 WeakPolarHBondContact CG2-OG 3.41Å; T36-Y333 HydrophobicContact CG2-CD2 3.92Å; T36-Y333 WeakPolarHBondContact OG1-CD2 3.3Å |
| 37 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 176.6 | -71.1 | -177.1 | 0 | 0 | 0 | 111.5 | L33 T34 H35 V39 N40 Y41 A307 R308 A311 L328 F337 | L33-L37 PolarHBondContact O-N 3.41Å; T34-L37 PolarHBondContact O-N 3.21Å; H35-L37 VanDerWaalsContact C-N 3.35Å; H35-L37 PolarHBondContact O-N 3.09Å; L37-V39 VanDerWaalsContact C-N 3.28Å; L37-V39 PolarHBondContact O-N 2.99Å; L37-N40 PolarHBondContact O-N 3.21Å; L37-Y41 HydrophobicContact CB-CD2 4.27Å; L37-Y41 HydrophobicContact CB-CE2 4.47Å; L37-Y41 HydrophobicContact CD2-CE2 4.34Å; L37-Y41 WeakPolarHBondContact O-CB 3.48Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 2.98Å; L37-A307 HydrophobicContact CD1-CB 4.14Å; L37-R308 HydrophobicContact CD1-CG 4.47Å; L37-A311 HydrophobicContact CB-CB 3.64Å; L37-A311 HydrophobicContact CD1-CB 4.04Å; L37-L328 HydrophobicContact CD1-CD2 4.37Å; L37-L328 HydrophobicContact CD2-CD2 4Å; L37-F337 HydrophobicContact CD1-CE1 3.79Å; L37-F337 HydrophobicContact CD1-CZ 3.65Å; L37-F337 HydrophobicContact CD2-CE2 4.25Å; L37-F337 HydrophobicContact CD2-CZ 4.06Å; L37-F337 HydrophobicContact CG-CE1 4.49Å; L37-F337 HydrophobicContact CG-CE2 4.47Å; L37-F337 HydrophobicContact CG-CZ 3.88Å |
| 38 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 178.8 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | Y9 T34 H35 L43 T44 M47 A311 T314 | Y9-V38 HydrophobicContact CD1-CG1 4.26Å; Y9-V38 HydrophobicContact CE1-CG1 3.99Å; T34-V38 HydrophobicContact CG2-CG2 4.41Å; T34-V38 WeakPolarHBondContact O-CG2 3.39Å; T34-V38 PolarHBondContact O-N 3.33Å; H35-V38 PolarHBondContact O-N 2.92Å; V38-L43 HydrophobicContact CG1-CB 4.16Å; V38-L43 WeakPolarHBondContact O-CB 3.45Å; V38-L43 PolarHBondContact O-N 3.44Å; V38-L43 VanDerWaalsContact O-N 3.1Å; V38-T44 HydrophobicContact CG1-CG2 4.02Å; V38-M47 HydrophobicContact CG1-CE 3.41Å; V38-M47 VanDerWaalsContact CG1-CE 3.41Å; V38-A311 HydrophobicContact CG2-CB 4.28Å; V38-T314 HydrophobicContact CG1-CG2 4.15Å; V38-T314 HydrophobicContact CG2-CG2 4.19Å |
| 39 | V | 98 | Very high | 97.9 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.6 | -50.1 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | H35 T36 L37 Y41 N42 T44 | H35-V39 WeakPolarHBondContact NE2-CG2 3.49Å; H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.28Å; T36-V39 PolarHBondContact O-N 3.4Å; L37-V39 VanDerWaalsContact C-N 3.28Å; L37-V39 PolarHBondContact O-N 2.99Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.38Å; V39-N42 WeakPolarHBondContact O-CA 3.24Å; V39-N42 PolarHBondContact O-N 2.95Å; V39-T44 HydrophobicContact CG2-CG2 3.94Å |
| 40 | N | 97.9 | Very high | 98 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.5 | -18.4 | -173.4 | -73 | -73.8 | 0 | 0 | 0 | 113.6 | T36 L37 P329 | T36-N40 WeakPolarHBondContact CG2-ND2 3.37Å; T36-N40 WeakPolarHBondContact O-CB 3.01Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.21Å; L37-N40 PolarHBondContact O-N 3.21Å; N40-P329 HydrophobicContact CB-CB 3.82Å; N40-P329 HydrophobicContact CB-CG 3.51Å |
| 41 | Y | 98.1 | Very high | 98 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.1 | 165.4 | -82.1 | -64.6 | 0 | 0 | 0 | 113.5 | L37 V39 L43 I324 S325 E327 L328 P329 L343 | L37-Y41 HydrophobicContact CB-CD2 4.27Å; L37-Y41 HydrophobicContact CB-CE2 4.47Å; L37-Y41 HydrophobicContact CD2-CE2 4.34Å; L37-Y41 WeakPolarHBondContact O-CB 3.48Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 2.98Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.38Å; Y41-L43 PolarHBondContact O-N 2.9Å; Y41-I324 HydrophobicContact CD1-CD1 3.7Å; Y41-I324 HydrophobicContact CD1-CG1 3.37Å; Y41-I324 HydrophobicContact CD2-CD1 3.83Å; Y41-I324 HydrophobicContact CD2-CG1 4.41Å; Y41-I324 HydrophobicContact CE1-CD1 3.97Å; Y41-I324 HydrophobicContact CE1-CG1 3.49Å; Y41-I324 VanDerWaalsContact CE1-CG1 3.49Å; Y41-I324 HydrophobicContact CE2-CD1 4.11Å; Y41-I324 HydrophobicContact CG-CD1 3.61Å; Y41-I324 HydrophobicContact CG-CG1 3.86Å; Y41-S325 WeakPolarHBondContact CE1-O 3.2Å; Y41-S325 PolarHBondContact OH-O 3.32Å; Y41-S325 VanDerWaalsContact OH-O 3.08Å; Y41-E327 PolarHBondContact OH-O 2.7Å; Y41-L328 HydrophobicContact CE2-CD2 4.19Å; Y41-L328 WeakPolarHBondContact OH-CA 3.24Å; Y41-L328 WeakPolarHBondContact OH-CD2 3.44Å; Y41-P329 HydrophobicContact CD1-CG 4.21Å; Y41-P329 HydrophobicContact CD2-CG 4.06Å; Y41-P329 HydrophobicContact CE1-CG 4.29Å; Y41-P329 VanDerWaalsContact CE2-CD 3.49Å; Y41-P329 HydrophobicContact CE2-CG 4.12Å; Y41-P329 HydrophobicContact CG-CG 4.11Å; Y41-L343 HydrophobicContact CE2-CD1 4.06Å |
| 42 | N | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25 | -176.5 | -50.9 | -58.7 | 0 | 0 | 0 | 113.7 | V39 T44 D45 | V39-N42 WeakPolarHBondContact O-CA 3.24Å; V39-N42 PolarHBondContact O-N 2.95Å; N42-T44 PolarHBondContact O-N 3.48Å; N42-D45 WeakPolarHBondContact O-CB 3.47Å; N42-D45 PolarHBondContact O-N 3.15Å |
| 43 | L | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -68.5 | -27 | 178.7 | -62.6 | 179.5 | 0 | 0 | 0 | 111.5 | V38 Y41 D45 R46 A311 T314 A315 L318 Q320 I324 | V38-L43 HydrophobicContact CG1-CB 4.16Å; V38-L43 WeakPolarHBondContact O-CB 3.45Å; V38-L43 PolarHBondContact O-N 3.44Å; V38-L43 VanDerWaalsContact O-N 3.1Å; Y41-L43 PolarHBondContact O-N 2.9Å; L43-D45 PolarHBondContact O-N 3.14Å; L43-R46 PolarHBondContact O-N 3.18Å; L43-R46 VanDerWaalsContact O-N 3.15Å; L43-A311 WeakPolarHBondContact CD1-O 3.3Å; L43-T314 HydrophobicContact CB-CG2 4.27Å; L43-T314 HydrophobicContact CD1-CG2 3.9Å; L43-A315 HydrophobicContact CD1-CB 4.06Å; L43-A315 HydrophobicContact CD2-CB 3.95Å; L43-L318 HydrophobicContact CB-CD1 3.8Å; L43-L318 HydrophobicContact CD2-CD1 4.28Å; L43-L318 WeakPolarHBondContact O-CD1 3.47Å; L43-Q320 HydrophobicContact CD2-CB 4.12Å; L43-Q320 HydrophobicContact CD2-CG 4.45Å; L43-I324 HydrophobicContact CD1-CD1 4.25Å; L43-I324 HydrophobicContact CD2-CD1 4.48Å |
| 44 | T | 97.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -60.3 | -24.1 | 175.7 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | V38 V39 N42 R46 M47 V49 | V38-T44 HydrophobicContact CG1-CG2 4.02Å; V39-T44 HydrophobicContact CG2-CG2 3.94Å; N42-T44 PolarHBondContact O-N 3.48Å; T44-R46 PolarHBondContact O-N 3.17Å; T44-M47 HydrophobicContact CG2-CE 4.03Å; T44-M47 PolarHBondContact O-N 2.79Å; T44-V49 HydrophobicContact CG2-CG2 3.77Å |
| 45 | D | 96.6 | Very high | 97.6 | Very high | 127 Ų | 127 | 55.7 Ų | 55.7 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.6 | 180 | -62.6 | -9.7 | 0 | 0 | 0 | 112.5 | N42 L43 | N42-D45 WeakPolarHBondContact O-CB 3.47Å; N42-D45 PolarHBondContact O-N 3.15Å; L43-D45 PolarHBondContact O-N 3.14Å |
| 46 | R | 96.6 | Very high | 97.6 | Very high | 163 Ų | 163 | 56.3 Ų | 56.3 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -102.3 | -0.6 | -177.9 | -57.7 | -70 | -166.1 | 177.1 | 2.1 | 113.1 | L43 T44 L318 Q320 | L43-R46 PolarHBondContact O-N 3.18Å; L43-R46 VanDerWaalsContact O-N 3.15Å; T44-R46 PolarHBondContact O-N 3.17Å; R46-L318 HydrophobicContact CB-CD1 4.24Å; R46-L318 HydrophobicContact CB-CD2 3.98Å; R46-L318 HydrophobicContact CB-CG 4.48Å; R46-Q320 HydrophobicContact CG-CG 4.37Å |
| 47 | M | 97.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -141.8 | 171.2 | -177.4 | 59.3 | -177.7 | 177.1 | 0 | 0 | 112.3 | V7 Y9 V38 T44 V49 T314 L318 | V7-M47 HydrophobicContact CB-CB 4.01Å; V7-M47 HydrophobicContact CG1-CB 4.2Å; V7-M47 HydrophobicContact CG1-SD 4.47Å; V7-M47 WeakPolarHBondContact O-CB 3.27Å; Y9-M47 WeakPolarHBondContact CB-SD 3.49Å; Y9-M47 HydrophobicContact CD1-CE 3.5Å; Y9-M47 HydrophobicContact CD1-SD 4.4Å; Y9-M47 HydrophobicContact CE1-CE 4.38Å; Y9-M47 HydrophobicContact CG-CE 3.94Å; Y9-M47 HydrophobicContact CG-SD 4.27Å; V38-M47 HydrophobicContact CG1-CE 3.41Å; V38-M47 VanDerWaalsContact CG1-CE 3.41Å; T44-M47 HydrophobicContact CG2-CE 4.03Å; T44-M47 PolarHBondContact O-N 2.79Å; M47-V49 HydrophobicContact CE-CG2 4.39Å; M47-V49 HydrophobicContact CG-CG2 4.46Å; M47-T314 HydrophobicContact CE-CG2 3.85Å; M47-T314 HydrophobicContact SD-CG2 4.13Å; M47-L318 HydrophobicContact CB-CD2 3.87Å; M47-L318 HydrophobicContact CG-CD1 4.49Å; M47-L318 HydrophobicContact CG-CD2 4.41Å; M47-L318 HydrophobicContact SD-CD1 4.09Å; M47-L318 HydrophobicContact SD-CD2 4.42Å |
| 48 | K | 98.2 | Very high | 97.6 | Very high | 134 Ų | 134 | 65.3 Ų | 65.3 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.1 | 169.2 | -62.8 | -57.5 | -175.6 | -173.5 | 0 | 109.6 | V7 V8 Y9 Y50 | V7-K48 PolarHBondContact O-N 2.78Å; V8-K48 CarbonylContact C-O 3.52Å; V8-K48 VanDerWaalsContact CA-O 3.3Å; V8-K48 WeakPolarHBondContact CA-O 3.35Å; V8-K48 HydrophobicContact CG2-CB 4.24Å; Y9-K48 PolarHBondContact N-O 3.17Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å |
| 49 | V | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127 | 175.2 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | Y9 T44 M47 | Y9-V49 HydrophobicContact CD1-CG1 4.12Å; Y9-V49 HydrophobicContact CD1-CG2 4.15Å; Y9-V49 VanDerWaalsContact O-CA 3.28Å; Y9-V49 WeakPolarHBondContact O-CA 3.29Å; T44-V49 HydrophobicContact CG2-CG2 3.77Å; M47-V49 HydrophobicContact CE-CG2 4.39Å; M47-V49 HydrophobicContact CG-CG2 4.46Å |
| 50 | Y | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.4 | 175.5 | -67 | -70.6 | 0 | 0 | 0 | 110.5 | V8 Y9 F10 Y11 K48 Y120 | V8-Y50 HydrophobicContact CG1-CD2 3.63Å; V8-Y50 HydrophobicContact CG1-CE2 4.14Å; V8-Y50 HydrophobicContact CG2-CD2 4.42Å; V8-Y50 HydrophobicContact CG2-CE2 4.09Å; Y9-Y50 PolarHBondContact O-N 3.02Å; F10-Y50 WeakPolarHBondContact CA-O 3.4Å; F10-Y50 HydrophobicContact CE1-CD2 4.45Å; Y11-Y50 PolarHBondContact N-O 3.1Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å; Y50-Y120 HydrophobicContact CD2-CE1 4.04Å; Y50-Y120 AromaticContact CE2-CE1 3.86Å; Y50-Y120 HydrophobicContact CE2-CE1 3.86Å |
| 51 | K | 97.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.548 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 122.6 | 159.1 | -172.4 | 179.6 | -178.5 | -177.6 | 0 | 107.5 | Y11 D12 | Y11-K51 WeakPolarHBondContact O-CA 3.36Å; D12-K51 WeakPolarHBondContact OD2-CE 3.48Å; D12-K51 IonicContact OD2-NZ 3.39Å |
| 52 | P | 94.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -73 | 157.4 | 179.9 | 32 | -36 | 0 | 0 | 0 | 111.3 | F10 D12 A113 | F10-P52 HydrophobicContact CB-CB 4.39Å; F10-P52 HydrophobicContact CD1-CB 4.02Å; D12-P52 HydrophobicContact CB-CG 4.24Å; P52-A113 HydrophobicContact CB-CB 3.72Å; P52-A113 HydrophobicContact CG-CB 3.79Å |
| 53 | Y | 95.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 61.9 Ų | 61.9 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 159.3 | 163 | 77.2 | -82.3 | 0 | 0 | 0 | 110.1 | G112 L115 Q116 K119 | Y53-G112 CarbonylContact O-C 3.53Å; Y53-G112 VanDerWaalsContact O-CA 3.29Å; Y53-G112 WeakPolarHBondContact O-CA 3.1Å; Y53-L115 WeakPolarHBondContact OH-CD2 3.37Å; Y53-L115 WeakPolarHBondContact OH-CG 3.25Å; Y53-Q116 HydrophobicContact CD1-CB 4.01Å; Y53-Q116 HydrophobicContact CD1-CG 4.22Å; Y53-Q116 HydrophobicContact CE1-CB 3.68Å; Y53-Q116 HydrophobicContact CE1-CG 4.18Å; Y53-Q116 VanDerWaalsContact N-OE1 3.13Å; Y53-K119 PolarHBondContact OH-NZ 3.47Å |
| 54 | H | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 123.9 | 177.4 | -70.2 | -172.1 | 0 | 0 | 0 | 109 | D12 S56 S108 I109 | D12-H54 IonicContact OD2-CD2 2.97Å; D12-H54 IonicContact OD2-CE1 3.02Å; D12-H54 IonicContact OD2-NE2 3.16Å; D12-H54 PolarHBondContact OD2-NE2 3.34Å; H54-S56 PolarHBondContact O-N 3.33Å; H54-S108 VanDerWaalsContact C-OG 3.27Å; H54-S108 VanDerWaalsContact CB-OG 3.3Å; H54-S108 WeakPolarHBondContact CB-OG 3.44Å; H54-I109 WeakPolarHBondContact NE2-CG1 3.4Å |
| 55 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 126.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D59 M60 S108 T111 | A55-D59 HydrophobicContact CB-CB 4.03Å; A55-M60 HydrophobicContact CB-CG 4.3Å; A55-M60 WeakPolarHBondContact O-CE 3.3Å; A55-S108 WeakPolarHBondContact CB-O 3.24Å; A55-S108 PolarHBondContact N-O 3.34Å; A55-S108 PolarHBondContact N-OG 2.93Å; A55-S108 PolarHBondContact O-OG 3.48Å; A55-T111 HydrophobicContact CB-CG2 3.7Å |
| 56 | S | 98.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 166.8 | 175.9 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | H54 K58 D59 M60 | H54-S56 PolarHBondContact O-N 3.33Å; S56-K58 PolarHBondContact O-N 3.19Å; S56-K58 PolarHBondContact OG-N 3.19Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.89Å; S56-D59 WeakPolarHBondContact O-CB 3.41Å; S56-D59 PolarHBondContact O-N 2.93Å; S56-D59 VanDerWaalsContact OG-CG 3.25Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 PolarHBondContact OG-OD2 2.79Å; S56-M60 PolarHBondContact O-N 3.44Å; S56-M60 VanDerWaalsContact O-N 3.11Å |
| 57 | M | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.7 | -41 | 169.1 | 179.5 | 164.2 | -84.8 | 0 | 0 | 111.2 | D59 M60 I61 I69 E70 R73 Y104 | M57-D59 VanDerWaalsContact C-N 3.28Å; M57-D59 PolarHBondContact O-N 2.85Å; M57-M60 PolarHBondContact O-N 3.28Å; M57-I61 HydrophobicContact CG-CG2 4.19Å; M57-I61 WeakPolarHBondContact O-CG1 3.36Å; M57-I61 WeakPolarHBondContact O-CG2 3.29Å; M57-I61 PolarHBondContact O-N 3.27Å; M57-I69 HydrophobicContact CE-CG2 4.01Å; M57-I69 HydrophobicContact CG-CG2 4.17Å; M57-E70 HydrophobicContact CE-CB 4.39Å; M57-E70 HydrophobicContact CE-CG 3.7Å; M57-E70 HydrophobicContact SD-CG 4.1Å; M57-R73 HydrophobicContact CE-CB 4.29Å; M57-Y104 PolarHBondContact N-OH 2.86Å |
| 58 | K | 98.2 | Very high | 97.9 | Very high | 168 Ų | 168 | 56.4 Ų | 56.4 | 73% | 0.73 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60 | -37.8 | 177.3 | -175.9 | -178.8 | 176 | -175.5 | 0 | 112.5 | S56 I61 | S56-K58 PolarHBondContact O-N 3.19Å; S56-K58 PolarHBondContact OG-N 3.19Å; K58-I61 WeakPolarHBondContact O-CG1 3.35Å |
| 59 | D | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -45.9 | 177.2 | -62.3 | -51.5 | 0 | 0 | 0 | 110.6 | A55 S56 M57 S62 L115 | A55-D59 HydrophobicContact CB-CB 4.03Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.89Å; S56-D59 WeakPolarHBondContact O-CB 3.41Å; S56-D59 PolarHBondContact O-N 2.93Å; S56-D59 VanDerWaalsContact OG-CG 3.25Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 PolarHBondContact OG-OD2 2.79Å; M57-D59 VanDerWaalsContact C-N 3.28Å; M57-D59 PolarHBondContact O-N 2.85Å; D59-S62 VanDerWaalsContact O-CB 3.26Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.19Å; D59-S62 PolarHBondContact O-OG 2.81Å; D59-L115 HydrophobicContact CB-CD2 3.67Å; D59-L115 WeakPolarHBondContact OD1-CD2 3.38Å |
| 60 | M | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | -177.4 | -70.5 | -176.3 | -81.9 | 0 | 0 | 113.5 | A55 S56 M57 S62 F63 H64 I69 Y104 T111 V150 | A55-M60 HydrophobicContact CB-CG 4.3Å; A55-M60 WeakPolarHBondContact O-CE 3.3Å; S56-M60 PolarHBondContact O-N 3.44Å; S56-M60 VanDerWaalsContact O-N 3.11Å; M57-M60 PolarHBondContact O-N 3.28Å; M60-S62 PolarHBondContact O-N 3.13Å; M60-F63 PolarHBondContact O-N 3.22Å; M60-H64 PolarHBondContact O-N 2.92Å; M60-H64 VanDerWaalsContact O-N 3.16Å; M60-I69 HydrophobicContact CB-CD1 3.96Å; M60-I69 HydrophobicContact CB-CG1 4.03Å; M60-I69 HydrophobicContact CB-CG2 4Å; M60-I69 HydrophobicContact CE-CG2 4.19Å; M60-I69 HydrophobicContact SD-CG2 4.43Å; M60-Y104 HydrophobicContact CE-CD2 4.15Å; M60-Y104 HydrophobicContact CE-CE1 4.21Å; M60-Y104 HydrophobicContact CE-CE2 3.32Å; M60-Y104 VanDerWaalsContact CE-OH 3.28Å; M60-Y104 WeakPolarHBondContact CE-OH 3.29Å; M60-Y104 HydrophobicContact SD-CE2 4.35Å; M60-T111 HydrophobicContact CG-CG2 4.23Å; M60-V150 HydrophobicContact CG-CG1 4.13Å; M60-V150 HydrophobicContact SD-CG1 4.3Å; M60-V150 HydrophobicContact SD-CG2 4.03Å |
| 61 | I | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.8 | 177.5 | 71.2 | 179.7 | 0 | 0 | 0 | 113.8 | M57 K58 F63 H64 Q66 I69 | M57-I61 HydrophobicContact CG-CG2 4.19Å; M57-I61 WeakPolarHBondContact O-CG1 3.36Å; M57-I61 WeakPolarHBondContact O-CG2 3.29Å; M57-I61 PolarHBondContact O-N 3.27Å; K58-I61 WeakPolarHBondContact O-CG1 3.35Å; I61-F63 PolarHBondContact O-N 3.34Å; I61-H64 WeakPolarHBondContact CA-O 3.47Å; I61-Q66 HydrophobicContact CG2-CB 4.13Å; I61-Q66 HydrophobicContact CG2-CG 4.45Å; I61-I69 HydrophobicContact CG2-CB 4.06Å; I61-I69 HydrophobicContact CG2-CG1 4.03Å; I61-I69 HydrophobicContact CG2-CG2 4.38Å |
| 62 | S | 98 | Very high | 97.9 | Very high | 64 Ų | 64 | 40 Ų | 40 | 45% | 0.448 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.4 | 170.9 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | D59 M60 | D59-S62 VanDerWaalsContact O-CB 3.26Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.19Å; D59-S62 PolarHBondContact O-OG 2.81Å; M60-S62 PolarHBondContact O-N 3.13Å |
| 63 | F | 98.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 45 Ų | 45 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -54.6 | 172.2 | 171.3 | -124.9 | 0 | 0 | 0 | 112.1 | M60 I61 K141 N151 V154 I155 L158 A183 | M60-F63 PolarHBondContact O-N 3.22Å; I61-F63 PolarHBondContact O-N 3.34Å; F63-K141 HydrophobicContact CE2-CB 4.04Å; F63-K141 HydrophobicContact CE2-CG 4.46Å; F63-K141 HydrophobicContact CZ-CB 3.94Å; F63-K141 WeakPolarHBondContact O-CE 3.48Å; F63-K141 WeakPolarHBondContact O-CG 3.39Å; F63-N151 HydrophobicContact CD1-CB 4.04Å; F63-N151 HydrophobicContact CE1-CB 3.79Å; F63-V154 HydrophobicContact CB-CG1 3.94Å; F63-V154 HydrophobicContact CD1-CB 4.04Å; F63-V154 HydrophobicContact CD1-CG1 3.85Å; F63-V154 HydrophobicContact CD2-CB 4.46Å; F63-V154 HydrophobicContact CD2-CG1 3.44Å; F63-V154 VanDerWaalsContact CD2-CG1 3.44Å; F63-V154 HydrophobicContact CE1-CB 4.27Å; F63-V154 HydrophobicContact CE1-CG1 4.21Å; F63-V154 HydrophobicContact CE1-CG2 4.36Å; F63-V154 HydrophobicContact CE2-CG1 3.83Å; F63-V154 HydrophobicContact CG-CB 4.14Å; F63-V154 HydrophobicContact CG-CG1 3.45Å; F63-V154 VanDerWaalsContact CG-CG1 3.45Å; F63-V154 HydrophobicContact CZ-CG1 4.19Å; F63-V154 HydrophobicContact CZ-CG2 4.41Å; F63-I155 HydrophobicContact CB-CG1 3.92Å; F63-L158 HydrophobicContact CB-CD1 4.19Å; F63-A183 HydrophobicContact CD2-CB 4.48Å; F63-A183 HydrophobicContact CE2-CB 3.62Å; F63-A183 HydrophobicContact CZ-CB 3.84Å |
| 64 | H | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74 | 156.3 | -173.9 | -67.5 | -79 | 0 | 0 | 0 | 112.1 | M60 I61 Y68 I69 K140 K141 V150 N151 | M60-H64 PolarHBondContact O-N 2.92Å; M60-H64 VanDerWaalsContact O-N 3.16Å; I61-H64 WeakPolarHBondContact CA-O 3.47Å; H64-Y68 HydrophobicContact CB-CD1 4.19Å; H64-Y68 AromaticContact ND1-CD1 3.84Å; H64-Y68 AromaticContact ND1-CE1 3.75Å; H64-I69 HydrophobicContact CB-CD1 3.6Å; H64-I69 HydrophobicContact CB-CG1 3.61Å; H64-K140 PolarHBondContact CE1-O 2.95Å; H64-K140 PolarHBondContact ND1-O 3.33Å; H64-K141 VanDerWaalsContact CA-O 3.31Å; H64-K141 WeakPolarHBondContact CA-O 3.34Å; H64-K141 PolarHBondContact ND1-O 2.64Å; H64-V150 WeakPolarHBondContact NE2-CA 3.47Å; H64-N151 PolarHBondContact NE2-N 3.34Å |
| 65 | S | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -64.2 | 144 | 168.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | E67 Y68 I69 K141 F142 | S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.47Å; S65-Y68 PolarHBondContact O-N 3.47Å; S65-Y68 WeakPolarHBondContact OG-CB 3.37Å; S65-Y68 PolarHBondContact OG-N 3.06Å; S65-I69 PolarHBondContact O-N 2.79Å; S65-K141 PolarHBondContact N-O 3.22Å; S65-K141 VanDerWaalsContact N-O 3.11Å; S65-F142 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 66 | Q | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.9 | -44.5 | 176.2 | -179.4 | 174.4 | -30.8 | 0 | 0 | 111.9 | I61 Y68 I69 E70 | I61-Q66 HydrophobicContact CG2-CB 4.13Å; I61-Q66 HydrophobicContact CG2-CG 4.45Å; Q66-Y68 VanDerWaalsContact C-N 3.28Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Q66-I69 PolarHBondContact O-N 2.86Å; Q66-E70 HydrophobicContact CG-CG 4.21Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.31Å; Q66-E70 PolarHBondContact NE2-OE1 3.45Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.82Å |
| 67 | E | 97.8 | Very high | 98 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 54% | 0.537 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -36 | -177.4 | -60.8 | 78 | -174.3 | 0 | 0 | 112.3 | S65 F71 Y91 | S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.47Å; E67-F71 WeakPolarHBondContact O-CB 3.2Å; E67-F71 PolarHBondContact O-N 3.13Å; E67-Y91 PolarHBondContact O-OH 3.22Å |
| 68 | Y | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 176.4 | 174.6 | -118.1 | 0 | 0 | 0 | 112 | H64 S65 Q66 F71 L72 Y91 A144 Y149 | H64-Y68 HydrophobicContact CB-CD1 4.19Å; H64-Y68 AromaticContact ND1-CD1 3.84Å; H64-Y68 AromaticContact ND1-CE1 3.75Å; S65-Y68 PolarHBondContact O-N 3.47Å; S65-Y68 WeakPolarHBondContact OG-CB 3.37Å; S65-Y68 PolarHBondContact OG-N 3.06Å; Q66-Y68 VanDerWaalsContact C-N 3.28Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Y68-F71 HydrophobicContact CD2-CD1 4.41Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 2.85Å; Y68-L72 HydrophobicContact CD1-CD1 4.45Å; Y68-L72 HydrophobicContact CE1-CD1 3.82Å; Y68-L72 HydrophobicContact CE1-CG 4.48Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 4.19Å; Y68-L72 HydrophobicContact CE2-CG 4.1Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 2.96Å; Y68-Y91 AromaticContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD2 4.33Å; Y68-Y91 HydrophobicContact CD2-CE1 4.04Å; Y68-Y91 AromaticContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CE2-CD1 4.38Å; Y68-Y91 HydrophobicContact CE2-CG 4.23Å; Y68-Y91 HydrophobicContact CG-CD1 4.41Å; Y68-A144 WeakPolarHBondContact OH-CA 3.31Å; Y68-A144 WeakPolarHBondContact OH-CB 3.25Å; Y68-A144 PolarHBondContact OH-N 2.79Å; Y68-A144 VanDerWaalsContact OH-N 3.13Å; Y68-Y149 VanDerWaalsContact CE1-O 3.27Å; Y68-Y149 WeakPolarHBondContact CE1-O 3.34Å; Y68-Y149 PolarHBondContact OH-O 2.91Å |
| 69 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.8 | -37 | 177.8 | -61.1 | -55.4 | 0 | 0 | 0 | 111.4 | M57 M60 I61 H64 S65 Q66 F71 L72 R73 Y104 V150 | M57-I69 HydrophobicContact CE-CG2 4.01Å; M57-I69 HydrophobicContact CG-CG2 4.17Å; M60-I69 HydrophobicContact CB-CD1 3.96Å; M60-I69 HydrophobicContact CB-CG1 4.03Å; M60-I69 HydrophobicContact CB-CG2 4Å; M60-I69 HydrophobicContact CE-CG2 4.19Å; M60-I69 HydrophobicContact SD-CG2 4.43Å; I61-I69 HydrophobicContact CG2-CB 4.06Å; I61-I69 HydrophobicContact CG2-CG1 4.03Å; I61-I69 HydrophobicContact CG2-CG2 4.38Å; H64-I69 HydrophobicContact CB-CD1 3.6Å; H64-I69 HydrophobicContact CB-CG1 3.61Å; S65-I69 PolarHBondContact O-N 2.79Å; Q66-I69 PolarHBondContact O-N 2.86Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-L72 HydrophobicContact CD1-CD1 4.29Å; I69-L72 PolarHBondContact O-N 2.94Å; I69-R73 WeakPolarHBondContact O-CB 3.39Å; I69-R73 PolarHBondContact O-N 2.88Å; I69-Y104 HydrophobicContact CG2-CE2 3.82Å; I69-V150 HydrophobicContact CD1-CG2 3.96Å |
| 70 | E | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 170.3 | -73.9 | 173.4 | 171.4 | 0 | 0 | 111.3 | M57 Q66 R73 D74 | M57-E70 HydrophobicContact CE-CB 4.39Å; M57-E70 HydrophobicContact CE-CG 3.7Å; M57-E70 HydrophobicContact SD-CG 4.1Å; Q66-E70 HydrophobicContact CG-CG 4.21Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.31Å; Q66-E70 PolarHBondContact NE2-OE1 3.45Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.82Å; E70-R73 WeakPolarHBondContact O-CB 3.32Å; E70-R73 PolarHBondContact O-N 3.18Å; E70-D74 WeakPolarHBondContact O-CB 3.36Å; E70-D74 PolarHBondContact O-N 2.92Å |
| 71 | F | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -50.3 | 172.8 | 164.5 | -99 | 0 | 0 | 0 | 112.1 | E67 Y68 I69 R73 D74 V75 F83 L88 Y91 I93 I99 | E67-F71 WeakPolarHBondContact O-CB 3.2Å; E67-F71 PolarHBondContact O-N 3.13Å; Y68-F71 HydrophobicContact CD2-CD1 4.41Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 2.85Å; I69-F71 VanDerWaalsContact C-N 3.34Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.92Å; F71-D74 PolarHBondContact O-N 3.3Å; F71-V75 HydrophobicContact CD2-CB 4.21Å; F71-V75 HydrophobicContact CE1-CG1 4.05Å; F71-V75 HydrophobicContact CE2-CB 3.76Å; F71-V75 HydrophobicContact CE2-CG1 4.17Å; F71-V75 HydrophobicContact CE2-CG2 3.77Å; F71-V75 HydrophobicContact CZ-CB 3.94Å; F71-V75 HydrophobicContact CZ-CG1 3.86Å; F71-V75 HydrophobicContact CZ-CG2 3.87Å; F71-V75 VanDerWaalsContact O-CB 3.29Å; F71-V75 WeakPolarHBondContact O-CB 3.46Å; F71-V75 VanDerWaalsContact O-CG1 3.25Å; F71-V75 WeakPolarHBondContact O-CG1 3.38Å; F71-V75 PolarHBondContact O-N 2.75Å; F71-F83 AromaticContact CD2-CD1 3.6Å; F71-F83 HydrophobicContact CD2-CD1 3.6Å; F71-F83 AromaticContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CG 4.39Å; F71-F83 HydrophobicContact CD2-CZ 4.4Å; F71-F83 AromaticContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CE1 4.03Å; F71-F83 HydrophobicContact CE2-CG 4.05Å; F71-L88 HydrophobicContact CE2-CD2 3.74Å; F71-L88 HydrophobicContact CZ-CD2 3.66Å; F71-Y91 HydrophobicContact CB-CD2 3.98Å; F71-Y91 HydrophobicContact CB-CE2 3.51Å; F71-Y91 AromaticContact CD1-CD2 3.37Å; F71-Y91 HydrophobicContact CD1-CD2 3.37Å; F71-Y91 AromaticContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CG 4.13Å; F71-Y91 AromaticContact CD2-CD2 3.89Å; F71-Y91 HydrophobicContact CD2-CD2 3.89Å; F71-Y91 AromaticContact CD2-CE2 3.94Å; F71-Y91 HydrophobicContact CD2-CE2 3.94Å; F71-Y91 AromaticContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CG 4.42Å; F71-Y91 HydrophobicContact CE2-CD2 4.26Å; F71-Y91 AromaticContact CG-CD2 3.43Å; F71-Y91 HydrophobicContact CG-CD2 3.43Å; F71-Y91 VanDerWaalsContact CG-CD2 3.43Å; F71-Y91 AromaticContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CG-CE2 3.47Å; F71-Y91 VanDerWaalsContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CZ-CD2 4.21Å; F71-I93 HydrophobicContact CE1-CD1 4.02Å; F71-I93 HydrophobicContact CE1-CG1 3.7Å; F71-I93 HydrophobicContact CZ-CG1 3.84Å; F71-I99 HydrophobicContact CZ-CD1 4.27Å |
| 72 | L | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 178.5 | -69.1 | -178.5 | 0 | 0 | 0 | 112.3 | Y68 I69 I103 Y104 Y149 V150 | Y68-L72 HydrophobicContact CD1-CD1 4.45Å; Y68-L72 HydrophobicContact CE1-CD1 3.82Å; Y68-L72 HydrophobicContact CE1-CG 4.48Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 4.19Å; Y68-L72 HydrophobicContact CE2-CG 4.1Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 2.96Å; I69-L72 HydrophobicContact CD1-CD1 4.29Å; I69-L72 PolarHBondContact O-N 2.94Å; L72-I103 HydrophobicContact CD2-CD1 4.22Å; L72-Y104 HydrophobicContact CB-CD2 4.41Å; L72-Y104 WeakPolarHBondContact O-CB 3.37Å; L72-Y149 HydrophobicContact CD2-CD1 4Å; L72-V150 HydrophobicContact CD1-CG2 3.95Å |
| 73 | R | 98 | Very high | 97.5 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 42% | 0.415 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.1 | -173.8 | -165.9 | 64 | -153.8 | -11.6 | 112 | M57 I69 E70 F71 Y104 | M57-R73 HydrophobicContact CE-CB 4.29Å; I69-R73 WeakPolarHBondContact O-CB 3.39Å; I69-R73 PolarHBondContact O-N 2.88Å; E70-R73 WeakPolarHBondContact O-CB 3.32Å; E70-R73 PolarHBondContact O-N 3.18Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.92Å; R73-Y104 VanDerWaalsContact CA-CD2 3.45Å; R73-Y104 HydrophobicContact CB-CD1 4.41Å; R73-Y104 HydrophobicContact CB-CD2 3.6Å; R73-Y104 HydrophobicContact CB-CE2 3.69Å; R73-Y104 HydrophobicContact CB-CG 3.97Å; R73-Y104 HydrophobicContact CG-CD1 4.17Å; R73-Y104 HydrophobicContact CG-CD2 4.23Å; R73-Y104 HydrophobicContact CG-CE1 4.12Å; R73-Y104 HydrophobicContact CG-CE2 4.15Å; R73-Y104 HydrophobicContact CG-CG 4.22Å |
| 74 | D | 97.7 | Very high | 97.3 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -90.3 | -23.9 | -168.4 | -62.6 | -17.3 | 0 | 0 | 0 | 113 | E70 F71 N79 F83 | E70-D74 WeakPolarHBondContact O-CB 3.36Å; E70-D74 PolarHBondContact O-N 2.92Å; F71-D74 PolarHBondContact O-N 3.3Å; D74-N79 PolarHBondContact O-ND2 3.43Å; D74-F83 HydrophobicContact CB-CZ 4.16Å |
| 75 | V | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | trans | -78.4 | 136 | -177 | 75.7 | 0 | 0 | 0 | 0 | 112 | F71 V80 F83 I99 I103 | F71-V75 HydrophobicContact CD2-CB 4.21Å; F71-V75 HydrophobicContact CE1-CG1 4.05Å; F71-V75 HydrophobicContact CE2-CB 3.76Å; F71-V75 HydrophobicContact CE2-CG1 4.17Å; F71-V75 HydrophobicContact CE2-CG2 3.77Å; F71-V75 HydrophobicContact CZ-CB 3.94Å; F71-V75 HydrophobicContact CZ-CG1 3.86Å; F71-V75 HydrophobicContact CZ-CG2 3.87Å; F71-V75 VanDerWaalsContact O-CB 3.29Å; F71-V75 WeakPolarHBondContact O-CB 3.46Å; F71-V75 VanDerWaalsContact O-CG1 3.25Å; F71-V75 WeakPolarHBondContact O-CG1 3.38Å; F71-V75 PolarHBondContact O-N 2.75Å; V75-V80 HydrophobicContact CG2-CB 4.15Å; V75-V80 HydrophobicContact CG2-CG2 4.18Å; V75-F83 HydrophobicContact CB-CE2 4.07Å; V75-F83 HydrophobicContact CB-CZ 4.1Å; V75-F83 HydrophobicContact CG2-CD2 4.08Å; V75-F83 HydrophobicContact CG2-CE2 3.92Å; V75-F83 HydrophobicContact CG2-CZ 4.4Å; V75-I99 HydrophobicContact CG1-CD1 3.76Å; V75-I99 HydrophobicContact CG1-CG1 4.44Å; V75-I99 HydrophobicContact CG1-CG2 4.27Å; V75-I99 HydrophobicContact CG2-CD1 4.11Å; V75-I99 HydrophobicContact CG2-CG1 3.98Å; V75-I99 HydrophobicContact CG2-CG2 4.09Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å | ||
| 76 | T | 96.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | trans | -135.9 | 162.5 | 176.4 | 72.8 | 0 | 0 | 0 | 0 | 109.9 | T78 N79 V80 I99 | T76-T78 PolarHBondContact O-N 3.14Å; T76-T78 VanDerWaalsContact O-N 3.12Å; T76-T78 PolarHBondContact OG1-N 2.59Å; T76-T78 PolarHBondContact OG1-OG1 2.59Å; T76-N79 PolarHBondContact N-OD1 3.35Å; T76-N79 PolarHBondContact O-N 3.31Å; T76-N79 PolarHBondContact O-OD1 2.97Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.25Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 VanDerWaalsContact OG1-N 3.16Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; T76-V80 WeakPolarHBondContact O-CB 3.2Å; T76-V80 PolarHBondContact O-N 2.98Å; T76-I99 VanDerWaalsContact C-CG2 3.48Å | ||
| 77 | P | 96.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 68 Ų | 68 | 40% | 0.403 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.1 | 174 | -26.1 | 35.5 | 0 | 0 | 0 | 113.5 | I99 D101 | P77-I99 HydrophobicContact CG-CG2 4.32Å; P77-D101 HydrophobicContact CG-CB 4.47Å |
| 78 | T | 96.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 63.9 Ų | 63.9 | 71% | 0.712 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -33.6 | -178.3 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | T76 H81 | T76-T78 PolarHBondContact O-N 3.14Å; T76-T78 VanDerWaalsContact O-N 3.12Å; T76-T78 PolarHBondContact OG1-N 2.59Å; T76-T78 PolarHBondContact OG1-OG1 2.59Å; T78-H81 PolarHBondContact O-CE1 3.12Å; T78-H81 PolarHBondContact O-ND1 3.45Å |
| 79 | N | 97 | Very high | 96.4 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -5.4 | -176.1 | 75.6 | 6.7 | 0 | 0 | 0 | 114.2 | D74 T76 H81 T82 F83 | D74-N79 PolarHBondContact O-ND2 3.43Å; T76-N79 PolarHBondContact N-OD1 3.35Å; T76-N79 PolarHBondContact O-N 3.31Å; T76-N79 PolarHBondContact O-OD1 2.97Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.25Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 VanDerWaalsContact OG1-N 3.16Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; N79-H81 PolarHBondContact O-N 3.25Å; N79-T82 WeakPolarHBondContact O-CB 3.38Å; N79-T82 PolarHBondContact O-N 3.04Å; N79-T82 PolarHBondContact O-OG1 3Å; N79-F83 WeakPolarHBondContact OD1-CE2 3.12Å |
| 80 | V | 95.9 | Very high | 96.3 | Very high | 38 Ų | 38 | 74.7 Ų | 74.7 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -50.5 | -32.9 | -176.6 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | V75 T76 T82 F83 L88 I99 | V75-V80 HydrophobicContact CG2-CB 4.15Å; V75-V80 HydrophobicContact CG2-CG2 4.18Å; T76-V80 WeakPolarHBondContact O-CB 3.2Å; T76-V80 PolarHBondContact O-N 2.98Å; V80-T82 VanDerWaalsContact C-N 3.25Å; V80-T82 PolarHBondContact O-N 3.5Å; V80-F83 PolarHBondContact O-N 2.95Å; V80-L88 HydrophobicContact CG2-CD1 4.07Å; V80-L88 HydrophobicContact CG2-CD2 4.05Å; V80-I99 HydrophobicContact CB-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG1 3.85Å |
| 81 | H | 95 | Very high | 96.3 | Very high | 147 Ų | 147 | 72.9 Ų | 72.9 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -69.5 | -17 | 178.3 | 69.2 | -87.5 | 0 | 0 | 0 | 114.4 | T78 N79 | T78-H81 PolarHBondContact O-CE1 3.12Å; T78-H81 PolarHBondContact O-ND1 3.45Å; N79-H81 PolarHBondContact O-N 3.25Å |
| 82 | T | 96.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 75.4 Ų | 75.4 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -83.7 | -14.8 | 176 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | N79 V80 | N79-T82 WeakPolarHBondContact O-CB 3.38Å; N79-T82 PolarHBondContact O-N 3.04Å; N79-T82 PolarHBondContact O-OG1 3Å; V80-T82 VanDerWaalsContact C-N 3.25Å; V80-T82 PolarHBondContact O-N 3.5Å |
| 83 | F | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -79.5 | 142 | 176.3 | -72.5 | -98.8 | 0 | 0 | 0 | 110.6 | F71 D74 V75 N79 V80 K85 L88 | F71-F83 AromaticContact CD2-CD1 3.6Å; F71-F83 HydrophobicContact CD2-CD1 3.6Å; F71-F83 AromaticContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CG 4.39Å; F71-F83 HydrophobicContact CD2-CZ 4.4Å; F71-F83 AromaticContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CE1 4.03Å; F71-F83 HydrophobicContact CE2-CG 4.05Å; D74-F83 HydrophobicContact CB-CZ 4.16Å; V75-F83 HydrophobicContact CB-CE2 4.07Å; V75-F83 HydrophobicContact CB-CZ 4.1Å; V75-F83 HydrophobicContact CG2-CD2 4.08Å; V75-F83 HydrophobicContact CG2-CE2 3.92Å; V75-F83 HydrophobicContact CG2-CZ 4.4Å; N79-F83 WeakPolarHBondContact OD1-CE2 3.12Å; V80-F83 PolarHBondContact O-N 2.95Å; F83-K85 PolarHBondContact O-N 3.23Å; F83-L88 HydrophobicContact CB-CD2 4.15Å; F83-L88 HydrophobicContact CB-CG 4.39Å |
| 84 | P | 94.7 | Very high | 95.9 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | trans | -56.1 | 134.1 | 175.1 | -23.9 | 32.9 | 0 | 0 | 0 | 111.6 | E86 K87 L88 | P84-E86 PolarHBondContact O-N 2.8Å; P84-K87 HydrophobicContact CB-CB 4.43Å; P84-K87 HydrophobicContact CB-CG 4.3Å; P84-K87 HydrophobicContact CG-CD 4.34Å; P84-K87 HydrophobicContact CG-CG 4.4Å; P84-K87 WeakPolarHBondContact O-CB 3.27Å; P84-K87 PolarHBondContact O-N 3.37Å; P84-L88 PolarHBondContact O-N 2.75Å | ||
| 85 | K | 94.3 | Very high | 95.5 | Very high | 174 Ų | 174 | 78.8 Ų | 78.8 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.1 | -33.7 | -179.5 | -70.9 | -176.5 | 177.7 | -179.6 | 0 | 112 | F83 K87 L88 L89 | F83-K85 PolarHBondContact O-N 3.23Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact O-N 3.17Å; K85-L89 PolarHBondContact O-N 3.32Å |
| 86 | E | 94.6 | Very high | 95.3 | Very high | 136 Ų | 136 | 81 Ų | 81 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 177 | -57.3 | 76.9 | -167.3 | 0 | 0 | 111.5 | P84 T90 | P84-E86 PolarHBondContact O-N 2.8Å; E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 2.99Å; E86-T90 PolarHBondContact O-OG1 3.49Å |
| 87 | K | 93.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 79 Ų | 79 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 174.5 | -76.8 | -165.5 | 175.1 | -170.4 | 0 | 111.4 | P84 K85 L89 T90 Y91 | P84-K87 HydrophobicContact CB-CB 4.43Å; P84-K87 HydrophobicContact CB-CG 4.3Å; P84-K87 HydrophobicContact CG-CD 4.34Å; P84-K87 HydrophobicContact CG-CG 4.4Å; P84-K87 WeakPolarHBondContact O-CB 3.27Å; P84-K87 PolarHBondContact O-N 3.37Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.86Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 3.35Å; K87-T90 PolarHBondContact O-N 3.24Å; K87-T90 VanDerWaalsContact O-N 3.15Å; K87-Y91 HydrophobicContact CB-CD2 4.46Å; K87-Y91 HydrophobicContact CB-CE2 4.27Å; K87-Y91 HydrophobicContact CD-CE2 4.48Å; K87-Y91 WeakPolarHBondContact O-CB 3.43Å; K87-Y91 WeakPolarHBondContact O-CD2 3.26Å; K87-Y91 PolarHBondContact O-N 3.2Å |
| 88 | L | 95.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 77.4 Ų | 77.4 | 15% | 0.152 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 177.1 | -62.2 | 179.2 | 0 | 0 | 0 | 111.4 | F71 V80 F83 P84 K85 Y91 N92 I93 | F71-L88 HydrophobicContact CE2-CD2 3.74Å; F71-L88 HydrophobicContact CZ-CD2 3.66Å; V80-L88 HydrophobicContact CG2-CD1 4.07Å; V80-L88 HydrophobicContact CG2-CD2 4.05Å; F83-L88 HydrophobicContact CB-CD2 4.15Å; F83-L88 HydrophobicContact CB-CG 4.39Å; P84-L88 PolarHBondContact O-N 2.75Å; K85-L88 PolarHBondContact O-N 3.17Å; L88-Y91 PolarHBondContact O-N 3.46Å; L88-N92 PolarHBondContact O-N 3.29Å; L88-I93 HydrophobicContact CB-CB 4.43Å; L88-I93 HydrophobicContact CD2-CB 4.35Å; L88-I93 HydrophobicContact CD2-CG2 4.34Å; L88-I93 PolarHBondContact O-N 3.29Å |
| 89 | L | 95.6 | Very high | 95.4 | Very high | 139 Ų | 139 | 73.1 Ų | 73.1 | 73% | 0.728 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 174.9 | -174.7 | 66.1 | 0 | 0 | 0 | 112 | K85 K87 Y91 N92 | K85-L89 PolarHBondContact O-N 3.32Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 3.35Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.25Å; L89-N92 PolarHBondContact O-N 3.3Å; L89-N92 VanDerWaalsContact O-N 3.14Å |
| 90 | T | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | E86 K87 N92 | E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 2.99Å; E86-T90 PolarHBondContact O-OG1 3.49Å; K87-T90 PolarHBondContact O-N 3.24Å; K87-T90 VanDerWaalsContact O-N 3.15Å; T90-N92 VanDerWaalsContact C-N 3.25Å |
| 91 | Y | 97.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.078 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.7 | 177.7 | -61.2 | -30.4 | 0 | 0 | 0 | 113.2 | E67 Y68 F71 K87 L88 L89 I93 F142 A144 | E67-Y91 PolarHBondContact O-OH 3.22Å; Y68-Y91 AromaticContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD2 4.33Å; Y68-Y91 HydrophobicContact CD2-CE1 4.04Å; Y68-Y91 AromaticContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CE2-CD1 4.38Å; Y68-Y91 HydrophobicContact CE2-CG 4.23Å; Y68-Y91 HydrophobicContact CG-CD1 4.41Å; F71-Y91 HydrophobicContact CB-CD2 3.98Å; F71-Y91 HydrophobicContact CB-CE2 3.51Å; F71-Y91 AromaticContact CD1-CD2 3.37Å; F71-Y91 HydrophobicContact CD1-CD2 3.37Å; F71-Y91 AromaticContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CG 4.13Å; F71-Y91 AromaticContact CD2-CD2 3.89Å; F71-Y91 HydrophobicContact CD2-CD2 3.89Å; F71-Y91 AromaticContact CD2-CE2 3.94Å; F71-Y91 HydrophobicContact CD2-CE2 3.94Å; F71-Y91 AromaticContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CG 4.42Å; F71-Y91 HydrophobicContact CE2-CD2 4.26Å; F71-Y91 AromaticContact CG-CD2 3.43Å; F71-Y91 HydrophobicContact CG-CD2 3.43Å; F71-Y91 VanDerWaalsContact CG-CD2 3.43Å; F71-Y91 AromaticContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CG-CE2 3.47Å; F71-Y91 VanDerWaalsContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CZ-CD2 4.21Å; K87-Y91 HydrophobicContact CB-CD2 4.46Å; K87-Y91 HydrophobicContact CB-CE2 4.27Å; K87-Y91 HydrophobicContact CD-CE2 4.48Å; K87-Y91 WeakPolarHBondContact O-CB 3.43Å; K87-Y91 WeakPolarHBondContact O-CD2 3.26Å; K87-Y91 PolarHBondContact O-N 3.2Å; L88-Y91 PolarHBondContact O-N 3.46Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.25Å; Y91-I93 VanDerWaalsContact C-N 3.29Å; Y91-I93 PolarHBondContact O-N 3.11Å; Y91-F142 WeakPolarHBondContact CD1-O 3.3Å; Y91-A144 PolarHBondContact O-N 3.39Å |
| 92 | N | 97.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 43.1 | -179.3 | -168.6 | 37.2 | 0 | 0 | 0 | 113.4 | L88 L89 T90 E143 A144 | L88-N92 PolarHBondContact O-N 3.29Å; L89-N92 PolarHBondContact O-N 3.3Å; L89-N92 VanDerWaalsContact O-N 3.14Å; T90-N92 VanDerWaalsContact C-N 3.25Å; N92-E143 HydrophobicContact CB-CB 3.98Å; N92-A144 VanDerWaalsContact CB-O 3.28Å; N92-A144 WeakPolarHBondContact CB-O 3.47Å; N92-A144 PolarHBondContact ND2-O 3.16Å |
| 93 | I | 96.7 | Very high | 95.5 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | trans | -87.1 | 126 | 175.3 | -59.6 | -56 | 0 | 0 | 0 | 109.3 | F71 L88 Y91 I99 A144 Y149 | F71-I93 HydrophobicContact CE1-CD1 4.02Å; F71-I93 HydrophobicContact CE1-CG1 3.7Å; F71-I93 HydrophobicContact CZ-CG1 3.84Å; L88-I93 HydrophobicContact CB-CB 4.43Å; L88-I93 HydrophobicContact CD2-CB 4.35Å; L88-I93 HydrophobicContact CD2-CG2 4.34Å; L88-I93 PolarHBondContact O-N 3.29Å; Y91-I93 VanDerWaalsContact C-N 3.29Å; Y91-I93 PolarHBondContact O-N 3.11Å; I93-I99 HydrophobicContact CD1-CD1 3.92Å; I93-I99 HydrophobicContact CG1-CD1 4.18Å; I93-I99 HydrophobicContact CG2-CD1 3.57Å; I93-I99 HydrophobicContact CG2-CG1 3.63Å; I93-A144 HydrophobicContact CD1-CB 4.23Å; I93-Y149 HydrophobicContact CD1-CD1 4.46Å; I93-Y149 HydrophobicContact CD1-CE1 4.07Å | ||
| 94 | G | 92 | Very high | 95.6 | Very high | 40 Ų | 40 | 66.1 Ų | 66.1 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -175.9 | -148.4 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | C97 P98 | G94-C97 PolarHBondContact N-O 3.42Å; G94-C97 VanDerWaalsContact N-O 3.08Å; G94-C97 CarbonylContact O-C 3.54Å; G94-P98 VanDerWaalsContact O-CA 3.23Å; G94-P98 WeakPolarHBondContact O-CA 3.28Å; G94-P98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 89.6 | Confident | 95.8 | Very high | 187 Ų | 187 | 68.4 Ų | 68.4 | 87% | 0.874 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -68.3 | -40.1 | 178.8 | -175.7 | 176.5 | -177.6 | 0 | 0 | 112.2 | ||
| 96 | D | 93 | Very high | 95.9 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -65.9 | -49.8 | 175.6 | -175.7 | 55.6 | 0 | 0 | 0 | 110.9 | H24 P98 G146 F147 | H24-D96 PolarHBondContact NE2-O 3.47Å; H24-D96 VanDerWaalsContact NE2-O 3.16Å; D96-P98 VanDerWaalsContact C-CD 3.48Å; D96-P98 WeakPolarHBondContact O-CD 3.24Å; D96-G146 WeakPolarHBondContact OD2-CA 3.45Å; D96-G146 PolarHBondContact OD2-N 2.7Å; D96-F147 VanDerWaalsContact O-CD1 3.22Å; D96-F147 WeakPolarHBondContact O-CD1 3.5Å; D96-F147 WeakPolarHBondContact OD1-CD1 3.26Å; D96-F147 WeakPolarHBondContact OD1-CE1 3.45Å |
| 97 | C | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -116.7 | 79.5 | 179.1 | -70.8 | 0 | 0 | 0 | 0 | 111 | G94 A144 Y149 | G94-C97 PolarHBondContact N-O 3.42Å; G94-C97 VanDerWaalsContact N-O 3.08Å; G94-C97 CarbonylContact O-C 3.54Å; C97-A144 HydrophobicContact CB-CB 3.69Å; C97-Y149 WeakPolarHBondContact CA-OH 3.44Å; C97-Y149 HydrophobicContact CB-CE1 3.7Å |
| 98 | P | 96.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | trans | -77.8 | 145.5 | -179 | 32.3 | -36.5 | 0 | 0 | 0 | 112.7 | Y20 G94 D96 F100 Y149 | Y20-P98 HydrophobicContact CD1-CG 4.46Å; Y20-P98 VanDerWaalsContact O-CG 3.28Å; Y20-P98 WeakPolarHBondContact O-CG 3.46Å; G94-P98 VanDerWaalsContact O-CA 3.23Å; G94-P98 WeakPolarHBondContact O-CA 3.28Å; G94-P98 VanDerWaalsContact O-N 3.14Å; D96-P98 VanDerWaalsContact C-CD 3.48Å; D96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-F100 WeakPolarHBondContact O-CD1 3.16Å; P98-F100 PolarHBondContact O-N 2.91Å; P98-Y149 WeakPolarHBondContact CD-OH 3.22Å; P98-Y149 PolarHBondContact O-OH 3.4Å | ||
| 99 | I | 97.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | trans | -70.1 | 119.4 | 169.2 | -55.6 | -51.7 | 0 | 0 | 0 | 109.7 | F71 V75 T76 P77 V80 I93 I103 | F71-I99 HydrophobicContact CZ-CD1 4.27Å; V75-I99 HydrophobicContact CG1-CD1 3.76Å; V75-I99 HydrophobicContact CG1-CG1 4.44Å; V75-I99 HydrophobicContact CG1-CG2 4.27Å; V75-I99 HydrophobicContact CG2-CD1 4.11Å; V75-I99 HydrophobicContact CG2-CG1 3.98Å; V75-I99 HydrophobicContact CG2-CG2 4.09Å; T76-I99 VanDerWaalsContact C-CG2 3.48Å; P77-I99 HydrophobicContact CG-CG2 4.32Å; V80-I99 HydrophobicContact CB-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG1 3.85Å; I93-I99 HydrophobicContact CD1-CD1 3.92Å; I93-I99 HydrophobicContact CG1-CD1 4.18Å; I93-I99 HydrophobicContact CG2-CD1 3.57Å; I93-I99 HydrophobicContact CG2-CG1 3.63Å; I99-I103 HydrophobicContact CD1-CD1 4.35Å | ||
| 100 | F | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -120.7 | 162.5 | 172.1 | 63.5 | -91.5 | 0 | 0 | 0 | 111.4 | F18 H19 Y20 P98 G102 I103 F106 Y149 | F18-F100 HydrophobicContact CB-CD2 4.49Å; F18-F100 HydrophobicContact CB-CE2 4Å; F18-F100 HydrophobicContact CD1-CE2 4.1Å; F18-F100 HydrophobicContact CG-CE2 4.39Å; H19-F100 WeakPolarHBondContact O-CB 3.48Å; Y20-F100 HydrophobicContact CD1-CD1 4.34Å; Y20-F100 HydrophobicContact CD1-CE1 4.16Å; Y20-F100 AromaticContact CD2-CD1 3.96Å; Y20-F100 HydrophobicContact CD2-CD1 3.96Å; Y20-F100 AromaticContact CD2-CE1 3.65Å; Y20-F100 HydrophobicContact CD2-CE1 3.65Å; Y20-F100 AromaticContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CE1-CE1 4.03Å; Y20-F100 HydrophobicContact CE2-CD1 4.25Å; Y20-F100 AromaticContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE1 3.47Å; Y20-F100 VanDerWaalsContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE2 4.45Å; Y20-F100 AromaticContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CG-CD1 4.01Å; Y20-F100 HydrophobicContact CG-CE1 4Å; Y20-F100 AromaticContact CZ-CE1 3.68Å; P98-F100 WeakPolarHBondContact O-CD1 3.16Å; P98-F100 PolarHBondContact O-N 2.91Å; F100-G102 PolarHBondContact O-N 3.19Å; F100-I103 HydrophobicContact CD1-CD1 4.36Å; F100-I103 HydrophobicContact CD1-CG1 4.49Å; F100-I103 HydrophobicContact CD2-CB 4.41Å; F100-I103 HydrophobicContact CE1-CB 4.21Å; F100-I103 HydrophobicContact CE1-CD1 4.02Å; F100-I103 HydrophobicContact CE1-CG1 3.88Å; F100-I103 HydrophobicContact CE2-CB 4.09Å; F100-I103 HydrophobicContact CE2-CG1 4.47Å; F100-I103 HydrophobicContact CZ-CB 3.98Å; F100-I103 HydrophobicContact CZ-CG1 3.86Å; F100-I103 PolarHBondContact O-N 3.35Å; F100-F106 HydrophobicContact CE2-CB 4.16Å; F100-F106 HydrophobicContact CE2-CD1 4.42Å; F100-F106 HydrophobicContact CE2-CG 4.48Å; F100-F106 HydrophobicContact CZ-CB 4.28Å; F100-F106 AromaticContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CG 4.32Å; F100-Y149 HydrophobicContact CE1-CD2 4.36Å; F100-Y149 AromaticContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CZ-CE2 4.47Å | ||
| 101 | D | 96.2 | Very high | 96.8 | Very high | 129 Ų | 129 | 37.5 Ų | 37.5 | 69% | 0.69 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 129.2 | -178.3 | -168.1 | 54.1 | 0 | 0 | 0 | 111.7 | P77 | P77-D101 HydrophobicContact CG-CB 4.47Š|
| 102 | G | 96.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 21.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F18 F100 Y104 R105 F106 | F18-G102 VanDerWaalsContact CE1-O 3.27Å; F18-G102 WeakPolarHBondContact CE1-O 3.31Å; F100-G102 PolarHBondContact O-N 3.19Å; G102-Y104 VanDerWaalsContact C-N 3.34Å; G102-Y104 PolarHBondContact O-N 2.97Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 3.31Å; G102-F106 PolarHBondContact O-N 3.05Å |
| 103 | I | 97.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.4 | -48.3 | 177.7 | -171.6 | 164.8 | 0 | 0 | 0 | 113.6 | L72 V75 I99 F100 R105 F106 S107 Y149 | L72-I103 HydrophobicContact CD2-CD1 4.22Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å; I99-I103 HydrophobicContact CD1-CD1 4.35Å; F100-I103 HydrophobicContact CD1-CD1 4.36Å; F100-I103 HydrophobicContact CD1-CG1 4.49Å; F100-I103 HydrophobicContact CD2-CB 4.41Å; F100-I103 HydrophobicContact CE1-CB 4.21Å; F100-I103 HydrophobicContact CE1-CD1 4.02Å; F100-I103 HydrophobicContact CE1-CG1 3.88Å; F100-I103 HydrophobicContact CE2-CB 4.09Å; F100-I103 HydrophobicContact CE2-CG1 4.47Å; F100-I103 HydrophobicContact CZ-CB 3.98Å; F100-I103 HydrophobicContact CZ-CG1 3.86Å; F100-I103 PolarHBondContact O-N 3.35Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.34Å; I103-F106 PolarHBondContact O-N 3.13Å; I103-S107 PolarHBondContact O-N 2.98Å; I103-S107 PolarHBondContact O-OG 2.91Å; I103-Y149 HydrophobicContact CD1-CD1 3.38Å; I103-Y149 HydrophobicContact CD1-CD2 3.95Å; I103-Y149 HydrophobicContact CD1-CE1 3.23Å; I103-Y149 HydrophobicContact CD1-CE2 3.85Å; I103-Y149 HydrophobicContact CD1-CG 3.72Å; I103-Y149 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y149 HydrophobicContact CG1-CD1 4.19Å; I103-Y149 HydrophobicContact CG1-CD2 4.12Å; I103-Y149 HydrophobicContact CG1-CE1 4.37Å; I103-Y149 HydrophobicContact CG1-CE2 4.34Å; I103-Y149 HydrophobicContact CG1-CG 4.04Å |
| 104 | Y | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.3 | -176.7 | -100.4 | 0 | 0 | 0 | 112.4 | M57 M60 I69 L72 R73 G102 S107 S108 | M57-Y104 PolarHBondContact N-OH 2.86Å; M60-Y104 HydrophobicContact CE-CD2 4.15Å; M60-Y104 HydrophobicContact CE-CE1 4.21Å; M60-Y104 HydrophobicContact CE-CE2 3.32Å; M60-Y104 VanDerWaalsContact CE-OH 3.28Å; M60-Y104 WeakPolarHBondContact CE-OH 3.29Å; M60-Y104 HydrophobicContact SD-CE2 4.35Å; I69-Y104 HydrophobicContact CG2-CE2 3.82Å; L72-Y104 HydrophobicContact CB-CD2 4.41Å; L72-Y104 WeakPolarHBondContact O-CB 3.37Å; R73-Y104 VanDerWaalsContact CA-CD2 3.45Å; R73-Y104 HydrophobicContact CB-CD1 4.41Å; R73-Y104 HydrophobicContact CB-CD2 3.6Å; R73-Y104 HydrophobicContact CB-CE2 3.69Å; R73-Y104 HydrophobicContact CB-CG 3.97Å; R73-Y104 HydrophobicContact CG-CD1 4.17Å; R73-Y104 HydrophobicContact CG-CD2 4.23Å; R73-Y104 HydrophobicContact CG-CE1 4.12Å; R73-Y104 HydrophobicContact CG-CE2 4.15Å; R73-Y104 HydrophobicContact CG-CG 4.22Å; G102-Y104 VanDerWaalsContact C-N 3.34Å; G102-Y104 PolarHBondContact O-N 2.97Å; Y104-S107 PolarHBondContact O-N 3Å; Y104-S108 VanDerWaalsContact O-CB 3.27Å; Y104-S108 WeakPolarHBondContact O-CB 3.36Å; Y104-S108 PolarHBondContact O-N 2.91Å |
| 105 | R | 98.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 30.9 Ų | 30.9 | 42% | 0.423 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | 178.4 | -171.4 | 176.8 | -177.1 | -146.2 | -7.7 | 111.1 | D14 F18 G102 I103 S107 S108 I109 | D14-R105 IonicContact OD2-CZ 2.77Å; D14-R105 IonicContact OD2-NH1 3.79Å; D14-R105 IonicContact OD2-NH2 3.74Å; D14-R105 PolarHBondContact OD2-NH2 2.82Å; F18-R105 HydrophobicContact CE1-CB 4.29Å; F18-R105 HydrophobicContact CZ-CB 4.34Å; F18-R105 HydrophobicContact CZ-CG 4.22Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 3.31Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.34Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S108 PolarHBondContact O-N 3.29Å; R105-I109 HydrophobicContact CG-CD1 4.27Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.41Å; R105-I109 PolarHBondContact O-N 3.08Å |
| 106 | F | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 172.7 | -179.2 | -120.2 | 0 | 0 | 0 | 111 | F18 Y20 P28 F100 G102 I103 S108 I109 H110 L136 | F18-F106 HydrophobicContact CB-CD2 4.15Å; F18-F106 HydrophobicContact CB-CG 4.33Å; F18-F106 HydrophobicContact CD1-CB 3.7Å; F18-F106 HydrophobicContact CD1-CG 4.38Å; F18-F106 HydrophobicContact CD2-CB 3.9Å; F18-F106 AromaticContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CE2 4.08Å; F18-F106 AromaticContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CE1-CB 3.75Å; F18-F106 HydrophobicContact CE2-CB 3.95Å; F18-F106 AromaticContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CG 4.28Å; F18-F106 HydrophobicContact CG-CB 3.76Å; F18-F106 AromaticContact CG-CD2 3.73Å; F18-F106 HydrophobicContact CG-CD2 3.73Å; F18-F106 AromaticContact CG-CG 3.94Å; F18-F106 HydrophobicContact CG-CG 3.94Å; F18-F106 HydrophobicContact CZ-CB 3.88Å; F18-F106 HydrophobicContact CZ-CD2 4.46Å; Y20-F106 HydrophobicContact CE2-CD1 4.37Å; Y20-F106 AromaticContact CE2-CE1 3.95Å; Y20-F106 HydrophobicContact CE2-CE1 3.95Å; Y20-F106 WeakPolarHBondContact OH-CE1 3.28Å; P28-F106 HydrophobicContact CB-CE2 4.27Å; P28-F106 HydrophobicContact CB-CZ 4.49Å; P28-F106 HydrophobicContact CG-CE2 4.41Å; P28-F106 HydrophobicContact CG-CZ 4.26Å; F100-F106 HydrophobicContact CE2-CB 4.16Å; F100-F106 HydrophobicContact CE2-CD1 4.42Å; F100-F106 HydrophobicContact CE2-CG 4.48Å; F100-F106 HydrophobicContact CZ-CB 4.28Å; F100-F106 AromaticContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CG 4.32Å; G102-F106 PolarHBondContact O-N 3.05Å; I103-F106 PolarHBondContact O-N 3.13Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.28Å; F106-I109 PolarHBondContact O-N 3.41Å; F106-H110 PolarHBondContact O-CD2 2.77Å; F106-H110 PolarHBondContact O-N 3Å; F106-L136 HydrophobicContact CE1-CD1 4.49Å |
| 107 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 177.2 | -69 | 0 | 0 | 0 | 0 | 113.3 | I103 Y104 R105 H110 T111 | I103-S107 PolarHBondContact O-N 2.98Å; I103-S107 PolarHBondContact O-OG 2.91Å; Y104-S107 PolarHBondContact O-N 3Å; R105-S107 VanDerWaalsContact C-N 3.34Å; S107-H110 VanDerWaalsContact CA-NE2 3.34Å; S107-H110 WeakPolarHBondContact CA-NE2 3.36Å; S107-T111 WeakPolarHBondContact O-CB 3.14Å; S107-T111 PolarHBondContact O-N 3.3Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 3.44Å |
| 108 | S | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | H54 A55 Y104 R105 F106 G112 | H54-S108 VanDerWaalsContact C-OG 3.27Å; H54-S108 VanDerWaalsContact CB-OG 3.3Å; H54-S108 WeakPolarHBondContact CB-OG 3.44Å; A55-S108 WeakPolarHBondContact CB-O 3.24Å; A55-S108 PolarHBondContact N-O 3.34Å; A55-S108 PolarHBondContact N-OG 2.93Å; A55-S108 PolarHBondContact O-OG 3.48Å; Y104-S108 VanDerWaalsContact O-CB 3.27Å; Y104-S108 WeakPolarHBondContact O-CB 3.36Å; Y104-S108 PolarHBondContact O-N 2.91Å; R105-S108 PolarHBondContact O-N 3.29Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.28Å; S108-G112 PolarHBondContact O-N 3.05Å |
| 109 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.1 | -56.9 | 179 | -73 | 163.3 | 0 | 0 | 0 | 111.3 | D12 D14 C15 F18 H54 R105 F106 T111 G112 A113 | D12-I109 HydrophobicContact CB-CG2 3.58Å; D14-I109 HydrophobicContact CB-CD1 4.11Å; C15-I109 HydrophobicContact CB-CG2 4.15Å; F18-I109 HydrophobicContact CE2-CD1 3.77Å; F18-I109 HydrophobicContact CZ-CD1 3.79Å; H54-I109 WeakPolarHBondContact NE2-CG1 3.4Å; R105-I109 HydrophobicContact CG-CD1 4.27Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.41Å; R105-I109 PolarHBondContact O-N 3.08Å; F106-I109 PolarHBondContact O-N 3.41Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-T111 PolarHBondContact O-N 2.75Å; I109-G112 PolarHBondContact O-N 3.08Å; I109-A113 PolarHBondContact O-N 2.76Å; I109-A113 VanDerWaalsContact O-N 3.1Å |
| 110 | H | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.6 | -32.8 | -173.9 | 72.2 | 73.3 | 0 | 0 | 0 | 112 | F106 S107 S114 N131 S133 L136 V150 D152 | F106-H110 PolarHBondContact O-CD2 2.77Å; F106-H110 PolarHBondContact O-N 3Å; S107-H110 VanDerWaalsContact CA-NE2 3.34Å; S107-H110 WeakPolarHBondContact CA-NE2 3.36Å; H110-S114 PolarHBondContact O-N 2.72Å; H110-S114 VanDerWaalsContact O-N 3.15Å; H110-S114 PolarHBondContact O-OG 2.87Å; H110-N131 PolarHBondContact O-ND2 2.88Å; H110-S133 WeakPolarHBondContact CA-OG 3.5Å; H110-S133 WeakPolarHBondContact CB-O 3.5Å; H110-S133 WeakPolarHBondContact CB-OG 3.1Å; H110-L136 VanDerWaalsContact NE2-CD1 3.26Å; H110-L136 WeakPolarHBondContact NE2-CD1 3.23Å; H110-V150 PolarHBondContact CE1-O 3.26Å; H110-D152 IonicContact ND1-OD1 3.97Å |
| 111 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | A55 M60 S107 I109 A113 S114 L115 V150 I155 | A55-T111 HydrophobicContact CB-CG2 3.7Å; M60-T111 HydrophobicContact CG-CG2 4.23Å; S107-T111 WeakPolarHBondContact O-CB 3.14Å; S107-T111 PolarHBondContact O-N 3.3Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 3.44Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-T111 PolarHBondContact O-N 2.75Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.15Å; T111-S114 PolarHBondContact O-N 3.44Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 PolarHBondContact O-N 2.96Å; T111-V150 HydrophobicContact CG2-CG1 4.24Å; T111-V150 VanDerWaalsContact OG1-CG1 3.26Å; T111-V150 WeakPolarHBondContact OG1-CG1 3.36Å; T111-I155 HydrophobicContact CG2-CB 4.43Å; T111-I155 HydrophobicContact CG2-CD1 3.6Å; T111-I155 HydrophobicContact CG2-CG2 4.2Å |
| 112 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y53 S108 I109 L115 Q116 | Y53-G112 CarbonylContact O-C 3.53Å; Y53-G112 VanDerWaalsContact O-CA 3.29Å; Y53-G112 WeakPolarHBondContact O-CA 3.1Å; S108-G112 PolarHBondContact O-N 3.05Å; I109-G112 PolarHBondContact O-N 3.08Å; G112-L115 PolarHBondContact O-N 3.41Å; G112-Q116 VanDerWaalsContact O-CB 3.28Å; G112-Q116 WeakPolarHBondContact O-CB 3.24Å; G112-Q116 PolarHBondContact O-N 2.83Å |
| 113 | A | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.7 | -51.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F10 P52 I109 T111 L115 Q116 A117 N131 | F10-A113 HydrophobicContact CB-CB 3.95Å; P52-A113 HydrophobicContact CB-CB 3.72Å; P52-A113 HydrophobicContact CG-CB 3.79Å; I109-A113 PolarHBondContact O-N 2.76Å; I109-A113 VanDerWaalsContact O-N 3.1Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.15Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.85Å; A113-Q116 PolarHBondContact O-N 3.48Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.92Å; A113-N131 HydrophobicContact CB-CB 4.23Å; A113-N131 VanDerWaalsContact CB-CG 3.43Å; A113-N131 WeakPolarHBondContact CB-ND2 3.27Å; A113-N131 WeakPolarHBondContact CB-OD1 3.46Å |
| 114 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.8 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | H110 T111 A117 A118 N131 D152 | H110-S114 PolarHBondContact O-N 2.72Å; H110-S114 VanDerWaalsContact O-N 3.15Å; H110-S114 PolarHBondContact O-OG 2.87Å; T111-S114 PolarHBondContact O-N 3.44Å; S114-A117 WeakPolarHBondContact O-CB 3.4Å; S114-A117 PolarHBondContact O-N 2.82Å; S114-A118 PolarHBondContact O-N 2.96Å; S114-N131 PolarHBondContact N-ND2 2.85Å; S114-N131 PolarHBondContact OG-ND2 2.79Å; S114-D152 WeakPolarHBondContact CB-OD2 3.49Å; S114-D152 PolarHBondContact OG-OD2 3.47Å |
| 115 | L | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 178.3 | -175.2 | 55 | 0 | 0 | 0 | 112.1 | Y53 D59 T111 G112 A113 A117 A118 K119 I155 E159 | Y53-L115 WeakPolarHBondContact OH-CD2 3.37Å; Y53-L115 WeakPolarHBondContact OH-CG 3.25Å; D59-L115 HydrophobicContact CB-CD2 3.67Å; D59-L115 WeakPolarHBondContact OD1-CD2 3.38Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 PolarHBondContact O-N 2.96Å; G112-L115 PolarHBondContact O-N 3.41Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.85Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A118 PolarHBondContact O-N 3.34Å; L115-K119 WeakPolarHBondContact O-CG 3.42Å; L115-K119 PolarHBondContact O-N 3.39Å; L115-I155 HydrophobicContact CD1-CG2 4.2Å; L115-I155 HydrophobicContact CD2-CG2 4.11Å; L115-E159 HydrophobicContact CD1-CB 3.48Å; L115-E159 VanDerWaalsContact CD1-CB 3.48Å; L115-E159 HydrophobicContact CD1-CG 3.7Å |
| 116 | Q | 98.5 | Very high | 98.3 | Very high | 22 Ų | 22 | 12.3 Ų | 12.3 | 10% | 0.103 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.1 | -165.7 | 167 | -2.5 | 0 | 0 | 111.4 | F10 Y53 G112 A113 K119 Y120 | F10-Q116 HydrophobicContact CE1-CB 3.97Å; F10-Q116 VanDerWaalsContact CE1-CD 3.5Å; F10-Q116 HydrophobicContact CE1-CG 3.61Å; F10-Q116 HydrophobicContact CZ-CB 4.11Å; F10-Q116 HydrophobicContact CZ-CG 3.83Å; Y53-Q116 HydrophobicContact CD1-CB 4.01Å; Y53-Q116 HydrophobicContact CD1-CG 4.22Å; Y53-Q116 HydrophobicContact CE1-CB 3.68Å; Y53-Q116 HydrophobicContact CE1-CG 4.18Å; Y53-Q116 VanDerWaalsContact N-OE1 3.13Å; G112-Q116 VanDerWaalsContact O-CB 3.28Å; G112-Q116 WeakPolarHBondContact O-CB 3.24Å; G112-Q116 PolarHBondContact O-N 2.83Å; A113-Q116 PolarHBondContact O-N 3.48Å; Q116-K119 PolarHBondContact O-N 2.98Å; Q116-Y120 HydrophobicContact CG-CD2 3.94Å; Q116-Y120 HydrophobicContact CG-CE2 3.63Å; Q116-Y120 PolarHBondContact NE2-OH 2.88Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.28Å; Q116-Y120 PolarHBondContact O-N 3.43Å |
| 117 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F10 A113 S114 L115 K119 Y120 L121 A129 L294 | F10-A117 HydrophobicContact CD2-CB 3.87Å; F10-A117 VanDerWaalsContact CE2-CA 3.49Å; F10-A117 HydrophobicContact CE2-CB 3.52Å; F10-A117 HydrophobicContact CZ-CB 4.44Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.92Å; S114-A117 WeakPolarHBondContact O-CB 3.4Å; S114-A117 PolarHBondContact O-N 2.82Å; L115-A117 VanDerWaalsContact C-N 3.33Å; A117-K119 PolarHBondContact O-N 3.34Å; A117-Y120 PolarHBondContact O-N 3.16Å; A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3.46Å; A117-A129 HydrophobicContact CB-CB 3.62Å; A117-L294 HydrophobicContact CB-CD1 3.52Å |
| 118 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S114 L115 Y120 L121 N122 A156 E159 L160 | S114-A118 PolarHBondContact O-N 2.96Å; L115-A118 PolarHBondContact O-N 3.34Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 2.92Å; A118-L121 PolarHBondContact O-N 3.41Å; A118-N122 WeakPolarHBondContact O-CB 3.37Å; A118-N122 PolarHBondContact O-N 3.09Å; A118-A156 HydrophobicContact CB-CB 4.09Å; A118-A156 WeakPolarHBondContact CB-O 3.23Å; A118-E159 HydrophobicContact CB-CB 3.89Å; A118-E159 HydrophobicContact CB-CG 3.67Å; A118-L160 HydrophobicContact CB-CD2 4.03Å; A118-L160 HydrophobicContact CB-CG 3.87Å |
| 119 | K | 98.2 | Very high | 98.3 | Very high | 12 Ų | 12 | 13.5 Ų | 13.5 | 5% | 0.052 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 175.6 | -71.4 | 171.5 | -179.8 | 167.2 | 0 | 111.8 | Y53 L115 Q116 A117 N123 E159 N392 | Y53-K119 PolarHBondContact OH-NZ 3.47Å; L115-K119 WeakPolarHBondContact O-CG 3.42Å; L115-K119 PolarHBondContact O-N 3.39Å; Q116-K119 PolarHBondContact O-N 2.98Å; A117-K119 PolarHBondContact O-N 3.34Å; K119-N123 WeakPolarHBondContact O-CB 3.37Å; K119-N123 PolarHBondContact O-N 3.41Å; K119-N123 PolarHBondContact O-ND2 3.15Å; K119-E159 HydrophobicContact CG-CG 3.83Å; K119-N392 WeakPolarHBondContact CD-ND2 3.34Å; K119-N392 VanDerWaalsContact NZ-CG 3.3Å; K119-N392 PolarHBondContact NZ-ND2 2.8Å; K119-N392 PolarHBondContact NZ-OD1 2.78Å |
| 120 | Y | 98.3 | Very high | 98.3 | Very high | 14 Ų | 14 | 13.5 Ų | 13.5 | 6% | 0.055 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 178.4 | -85.9 | -137.9 | 0 | 0 | 0 | 112.2 | V8 F10 Y50 Q116 A117 A118 G124 V125 Y389 | V8-Y120 HydrophobicContact CG1-CD1 4.48Å; V8-Y120 HydrophobicContact CG2-CD1 4.2Å; F10-Y120 HydrophobicContact CZ-CD1 4.15Å; F10-Y120 HydrophobicContact CZ-CE1 4.25Å; F10-Y120 HydrophobicContact CZ-CG 4.27Å; Y50-Y120 HydrophobicContact CD2-CE1 4.04Å; Y50-Y120 AromaticContact CE2-CE1 3.86Å; Y50-Y120 HydrophobicContact CE2-CE1 3.86Å; Q116-Y120 HydrophobicContact CG-CD2 3.94Å; Q116-Y120 HydrophobicContact CG-CE2 3.63Å; Q116-Y120 PolarHBondContact NE2-OH 2.88Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.28Å; Q116-Y120 PolarHBondContact O-N 3.43Å; A117-Y120 PolarHBondContact O-N 3.16Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 2.92Å; Y120-G124 PolarHBondContact O-N 2.91Å; Y120-V125 HydrophobicContact CD1-CB 4.09Å; Y120-V125 HydrophobicContact CD1-CG1 3.63Å; Y120-V125 HydrophobicContact CE1-CG1 3.96Å; Y120-V125 HydrophobicContact CG-CB 4.19Å; Y120-V125 HydrophobicContact CG-CG1 4.2Å; Y120-V125 WeakPolarHBondContact O-CB 3.38Å; Y120-V125 PolarHBondContact O-N 3.4Å; Y120-Y389 HydrophobicContact CD2-CE2 4.41Å |
| 121 | L | 98.5 | Very high | 98.3 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 6% | 0.058 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.4 | -48.5 | 175.3 | -68.5 | 168.3 | 0 | 0 | 0 | 111.2 | A117 A118 N123 G124 T126 A129 L160 P292 L294 | A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3.46Å; A118-L121 PolarHBondContact O-N 3.41Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.95Å; L121-G124 PolarHBondContact O-N 3.26Å; L121-T126 HydrophobicContact CD2-CG2 3.81Å; L121-T126 HydrophobicContact CG-CG2 4.21Å; L121-A129 HydrophobicContact CD1-CB 4.25Å; L121-A129 HydrophobicContact CD2-CB 4.43Å; L121-A129 HydrophobicContact CG-CB 4.21Å; L121-L160 HydrophobicContact CB-CD2 4.12Å; L121-L160 HydrophobicContact CD1-CD2 4.26Å; L121-P292 HydrophobicContact CD2-CB 4.04Å; L121-L294 HydrophobicContact CD1-CB 3.73Å |
| 122 | N | 98.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 13.6 Ų | 13.6 | 11% | 0.112 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.9 | -38.5 | 177.8 | -81.2 | -16.6 | 0 | 0 | 0 | 113.1 | A118 G124 E159 L160 Y163 N164 | A118-N122 WeakPolarHBondContact O-CB 3.37Å; A118-N122 PolarHBondContact O-N 3.09Å; N122-G124 VanDerWaalsContact C-N 3.29Å; N122-E159 PolarHBondContact ND2-O 3.4Å; N122-E159 PolarHBondContact ND2-OE1 3.04Å; N122-L160 WeakPolarHBondContact OD1-CA 3.21Å; N122-L160 PolarHBondContact OD1-O 3.16Å; N122-Y163 HydrophobicContact CB-CD2 3.5Å; N122-Y163 VanDerWaalsContact CB-CD2 3.5Å; N122-Y163 HydrophobicContact CB-CE2 3.95Å; N122-Y163 HydrophobicContact CB-CG 4.04Å; N122-Y163 WeakPolarHBondContact ND2-CD2 3.44Å; N122-N164 PolarHBondContact OD1-ND2 2.97Å |
| 123 | N | 97 | Very high | 98.3 | Very high | 61 Ų | 61 | 14.2 Ų | 14.2 | 33% | 0.326 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 7.5 | -179.5 | -71.5 | -87.8 | 0 | 0 | 0 | 113 | K119 L121 V125 Y389 | K119-N123 WeakPolarHBondContact O-CB 3.37Å; K119-N123 PolarHBondContact O-N 3.41Å; K119-N123 PolarHBondContact O-ND2 3.15Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.95Å; N123-V125 HydrophobicContact CB-CG2 4.07Å; N123-V125 PolarHBondContact O-N 3.43Å; N123-Y389 HydrophobicContact CB-CD2 3.89Å; N123-Y389 HydrophobicContact CB-CE2 3.98Å; N123-Y389 VanDerWaalsContact CG-CD2 3.41Å; N123-Y389 VanDerWaalsContact ND2-CD2 3.3Å; N123-Y389 WeakPolarHBondContact ND2-CD2 3.35Å |
| 124 | G | 96.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 14.1 Ų | 14.1 | 39% | 0.392 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 25.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R6 Y120 L121 N122 | R6-G124 PolarHBondContact NH1-O 2.82Å; R6-G124 PolarHBondContact NH2-O 3.25Å; Y120-G124 PolarHBondContact O-N 2.91Å; L121-G124 PolarHBondContact O-N 3.26Å; N122-G124 VanDerWaalsContact C-N 3.29Å |
| 125 | V | 97.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 14.2 Ų | 14.2 | 32% | 0.315 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -73.4 | -38.6 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | R6 Y120 N123 Y389 | R6-V125 PolarHBondContact NH1-O 3.38Å; R6-V125 VanDerWaalsContact NH1-O 3.1Å; Y120-V125 HydrophobicContact CD1-CB 4.09Å; Y120-V125 HydrophobicContact CD1-CG1 3.63Å; Y120-V125 HydrophobicContact CE1-CG1 3.96Å; Y120-V125 HydrophobicContact CG-CB 4.19Å; Y120-V125 HydrophobicContact CG-CG1 4.2Å; Y120-V125 WeakPolarHBondContact O-CB 3.38Å; Y120-V125 PolarHBondContact O-N 3.4Å; N123-V125 HydrophobicContact CB-CG2 4.07Å; N123-V125 PolarHBondContact O-N 3.43Å; V125-Y389 HydrophobicContact CG2-CE2 4.17Å; V125-Y389 WeakPolarHBondContact CG2-OH 3.48Å |
| 126 | T | 98 | Very high | 98.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | trans | -132.1 | 158.9 | 178.2 | -160.9 | 0 | 0 | 0 | 0 | 110.4 | R6 V8 L121 I128 A129 | R6-T126 PolarHBondContact O-OG1 3.35Å; V8-T126 HydrophobicContact CB-CG2 4.38Å; V8-T126 HydrophobicContact CG2-CG2 4.32Å; V8-T126 WeakPolarHBondContact CG2-OG1 3.41Å; V8-T126 PolarHBondContact N-OG1 3.19Å; L121-T126 HydrophobicContact CD2-CG2 3.81Å; L121-T126 HydrophobicContact CG-CG2 4.21Å; T126-I128 PolarHBondContact OG1-O 3.01Å; T126-A129 HydrophobicContact CG2-CB 3.91Å | ||
| 127 | D | 98.4 | Very high | 98.3 | Very high | 37 Ų | 37 | 13.1 Ų | 13.1 | 20% | 0.198 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -100.7 | -29.7 | 175.1 | -51.3 | -58.9 | 0 | 0 | 0 | 111.1 | K5 R6 P292 L293 | K5-D127 HydrophobicContact CB-CB 4.41Å; K5-D127 HydrophobicContact CD-CB 3.72Å; R6-D127 WeakPolarHBondContact CB-OD2 3.41Å; R6-D127 IonicContact CZ-OD1 3.7Å; R6-D127 IonicContact CZ-OD2 3.56Å; R6-D127 PolarHBondContact N-OD2 3.48Å; R6-D127 IonicContact NE-OD1 3.09Å; R6-D127 IonicContact NE-OD2 2.65Å; R6-D127 PolarHBondContact NE-OD2 3.39Å; R6-D127 VanDerWaalsContact NE-OD2 3.09Å; R6-D127 IonicContact NH2-OD1 3.67Å; R6-D127 PolarHBondContact NH2-OD1 3.2Å; R6-D127 IonicContact NH2-OD2 3.69Å; R6-D127 PolarHBondContact O-N 3.02Å; D127-P292 WeakPolarHBondContact O-CA 3.24Å; D127-L293 PolarHBondContact O-N 2.83Å |
| 128 | I | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.026 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.9 | 174 | -55.8 | 177 | 0 | 0 | 0 | 108.3 | K5 R6 V7 V8 T126 I130 K287 L293 V295 L317 | K5-I128 HydrophobicContact CB-CD1 4.47Å; R6-I128 PolarHBondContact O-N 2.99Å; V7-I128 WeakPolarHBondContact CA-O 3.28Å; V7-I128 HydrophobicContact CG1-CB 4.29Å; V7-I128 HydrophobicContact CG1-CG2 4.27Å; V7-I128 HydrophobicContact CG2-CB 4.18Å; V7-I128 HydrophobicContact CG2-CD1 4.32Å; V8-I128 PolarHBondContact N-O 2.83Å; T126-I128 PolarHBondContact OG1-O 3.01Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I128-K287 HydrophobicContact CD1-CD 4.48Å; I128-K287 HydrophobicContact CD1-CG 3.95Å; I128-L293 CarbonylContact C-O 3.57Å; I128-L293 VanDerWaalsContact CA-O 3.3Å; I128-L293 WeakPolarHBondContact CA-O 3.35Å; I128-L293 HydrophobicContact CG1-CB 4.35Å; I128-V295 HydrophobicContact CG2-CG2 4.39Å; I128-L317 HydrophobicContact CD1-CD2 4.35Å; I128-L317 HydrophobicContact CG2-CD2 4.09Å |
| 129 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | V8 F10 A117 L121 T126 L293 L294 V295 | V8-A129 CarbonylContact O-C 3.53Å; V8-A129 WeakPolarHBondContact O-CA 3.39Å; F10-A129 HydrophobicContact CE2-CB 4.32Å; A117-A129 HydrophobicContact CB-CB 3.62Å; L121-A129 HydrophobicContact CD1-CB 4.25Å; L121-A129 HydrophobicContact CD2-CB 4.43Å; L121-A129 HydrophobicContact CG-CB 4.21Å; T126-A129 HydrophobicContact CG2-CB 3.91Å; A129-L293 PolarHBondContact N-O 2.61Å; A129-L294 HydrophobicContact CB-CD1 4.37Å; A129-L294 CarbonylContact O-C 3.52Å; A129-L294 WeakPolarHBondContact O-CA 3.28Å; A129-V295 PolarHBondContact O-N 3.29Å |
| 130 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.1 | -173.2 | -55.1 | 174.3 | 0 | 0 | 0 | 109.5 | V7 V8 Y9 F10 I128 W132 V295 T314 L317 | V7-I130 HydrophobicContact CG1-CD1 3.78Å; V7-I130 HydrophobicContact CG1-CG1 4.28Å; V8-I130 PolarHBondContact O-N 3.02Å; Y9-I130 HydrophobicContact CD2-CB 4.08Å; Y9-I130 HydrophobicContact CD2-CG2 3.92Å; Y9-I130 HydrophobicContact CE2-CG2 4.43Å; F10-I130 PolarHBondContact N-O 2.81Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I130-W132 HydrophobicContact CG2-CD2 3.78Å; I130-W132 HydrophobicContact CG2-CG 4.08Å; I130-W132 HydrophobicContact CG2-CH2 4.4Å; I130-W132 HydrophobicContact CG2-CZ2 3.65Å; I130-W132 VanDerWaalsContact CG2-NE1 3.35Å; I130-V295 CarbonylContact C-O 3.54Å; I130-V295 WeakPolarHBondContact CA-O 3.46Å; I130-T314 HydrophobicContact CD1-CG2 4.37Å; I130-L317 HydrophobicContact CD1-CB 4.23Å; I130-L317 HydrophobicContact CD1-CD1 3.56Å; I130-L317 HydrophobicContact CG1-CD1 3.85Å |
| 131 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 87.7 | 170 | 176.6 | 26.7 | 0 | 0 | 0 | 111.3 | H110 A113 S114 S133 G134 V295 V296 G297 | H110-N131 PolarHBondContact O-ND2 2.88Å; A113-N131 HydrophobicContact CB-CB 4.23Å; A113-N131 VanDerWaalsContact CB-CG 3.43Å; A113-N131 WeakPolarHBondContact CB-ND2 3.27Å; A113-N131 WeakPolarHBondContact CB-OD1 3.46Å; S114-N131 PolarHBondContact N-ND2 2.85Å; S114-N131 PolarHBondContact OG-ND2 2.79Å; N131-S133 PolarHBondContact O-N 3.35Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-S133 PolarHBondContact OD1-N 3.22Å; N131-S133 PolarHBondContact OD1-OG 2.97Å; N131-G134 PolarHBondContact ND2-N 2.67Å; N131-G134 PolarHBondContact O-N 2.69Å; N131-V295 PolarHBondContact N-O 3.27Å; N131-V296 VanDerWaalsContact O-CA 3.27Å; N131-V296 WeakPolarHBondContact O-CA 3.35Å; N131-G297 PolarHBondContact O-N 2.96Å; N131-G297 VanDerWaalsContact O-N 3.14Å |
| 132 | W | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.3 | 178.2 | -61.4 | 130.2 | 0 | 0 | 0 | 114.3 | Y9 L31 T34 I130 C259 V295 W310 E313 T314 L317 | Y9-W132 AromaticContact CE2-CD1 3.48Å; Y9-W132 VanDerWaalsContact CE2-CD1 3.48Å; Y9-W132 HydrophobicContact CE2-CG 4.38Å; Y9-W132 AromaticContact CZ-CD1 3.95Å; L31-W132 HydrophobicContact CD2-CB 4.23Å; L31-W132 VanDerWaalsContact CD2-O 3.24Å; L31-W132 WeakPolarHBondContact CD2-O 3.14Å; T34-W132 HydrophobicContact CG2-CG 4.23Å; I130-W132 HydrophobicContact CG2-CD2 3.78Å; I130-W132 HydrophobicContact CG2-CG 4.08Å; I130-W132 HydrophobicContact CG2-CH2 4.4Å; I130-W132 HydrophobicContact CG2-CZ2 3.65Å; I130-W132 VanDerWaalsContact CG2-NE1 3.35Å; W132-C259 HydrophobicContact CZ3-CB 3.9Å; W132-V295 HydrophobicContact CH2-CG1 3.69Å; W132-V295 HydrophobicContact CZ3-CG1 3.72Å; W132-W310 HydrophobicContact CB-CD2 4.23Å; W132-W310 HydrophobicContact CB-CE3 3.74Å; W132-W310 HydrophobicContact CB-CZ3 4.09Å; W132-W310 HydrophobicContact CD2-CB 3.73Å; W132-W310 HydrophobicContact CD2-CD2 4.08Å; W132-W310 HydrophobicContact CD2-CE3 4.45Å; W132-W310 AromaticContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CE3-CB 3.94Å; W132-W310 AromaticContact CE3-CD1 3.59Å; W132-W310 AromaticContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CE3 4.45Å; W132-W310 AromaticContact CE3-CG 3.51Å; W132-W310 HydrophobicContact CE3-CG 3.51Å; W132-W310 AromaticContact CE3-NE1 3.89Å; W132-W310 HydrophobicContact CG-CB 4.16Å; W132-W310 HydrophobicContact CG-CD2 4.3Å; W132-W310 HydrophobicContact CG-CE3 4.19Å; W132-W310 HydrophobicContact CG-CG 4.33Å; W132-W310 HydrophobicContact CH2-CB 4.38Å; W132-W310 HydrophobicContact CH2-CG 4.42Å; W132-W310 HydrophobicContact CZ2-CB 4.18Å; W132-W310 WeakPolarHBondContact CZ2-O 3.44Å; W132-W310 HydrophobicContact CZ3-CB 4.25Å; W132-W310 AromaticContact CZ3-CD1 3.52Å; W132-W310 HydrophobicContact CZ3-CD2 4.47Å; W132-W310 AromaticContact CZ3-CG 3.86Å; W132-W310 HydrophobicContact CZ3-CG 3.86Å; W132-W310 AromaticContact CZ3-NE1 3.98Å; W132-W310 WeakPolarHBondContact O-CH2 3.49Å; W132-W310 WeakPolarHBondContact O-CZ3 3.4Å; W132-E313 HydrophobicContact CH2-CB 3.75Å; W132-E313 WeakPolarHBondContact CH2-OE2 3.19Å; W132-E313 HydrophobicContact CZ2-CB 4.12Å; W132-T314 WeakPolarHBondContact CZ2-OG1 3.35Å; W132-T314 PolarHBondContact NE1-OG1 3.26Å; W132-L317 HydrophobicContact CH2-CD1 4.44Å; W132-L317 HydrophobicContact CZ2-CD1 4.39Å |
| 133 | S | 98.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -20.9 | 177.9 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | H110 N131 | H110-S133 WeakPolarHBondContact CA-OG 3.5Å; H110-S133 WeakPolarHBondContact CB-O 3.5Å; H110-S133 WeakPolarHBondContact CB-OG 3.1Å; N131-S133 PolarHBondContact O-N 3.35Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-S133 PolarHBondContact OD1-N 3.22Å; N131-S133 PolarHBondContact OD1-OG 2.97Å |
| 134 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -87.6 | -161.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N131 D152 G297 G298 | N131-G134 PolarHBondContact ND2-N 2.67Å; N131-G134 PolarHBondContact O-N 2.69Å; G134-D152 VanDerWaalsContact CA-OD2 3.23Å; G134-D152 WeakPolarHBondContact CA-OD2 3.25Å; G134-G297 CarbonylContact O-C 3.6Å; G134-G297 VanDerWaalsContact O-C 3.29Å; G134-G297 VanDerWaalsContact O-CA 3.31Å; G134-G297 WeakPolarHBondContact O-CA 3.47Å; G134-G297 PolarHBondContact O-N 3.44Å; G134-G298 PolarHBondContact O-N 3.08Å | ||
| 135 | G | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | trans | 91.6 | 20.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | H137 D152 V296 | G135-H137 PolarHBondContact O-N 2.99Å; G135-D152 PolarHBondContact N-OD1 2.82Å; G135-D152 PolarHBondContact N-OD2 2.88Å; G135-V296 VanDerWaalsContact CA-CG2 3.49Å | ||
| 136 | L | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | trans | -79.5 | 72 | -176.8 | -62.5 | -163.3 | 0 | 0 | 0 | 110.9 | F106 H110 H138 C148 D152 | F106-L136 HydrophobicContact CE1-CD1 4.49Å; H110-L136 VanDerWaalsContact NE2-CD1 3.26Å; H110-L136 WeakPolarHBondContact NE2-CD1 3.23Å; L136-H138 PolarHBondContact O-N 2.93Å; L136-C148 WeakPolarHBondContact CA-SG 3.42Å; L136-C148 HydrophobicContact CB-CB 3.78Å; L136-C148 VanDerWaalsContact CB-SG 3.58Å; L136-D152 PolarHBondContact N-OD1 3.48Å | ||
| 137 | H | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.4 | -165.1 | 64.8 | 172.1 | 0 | 0 | 0 | 116.2 | G135 N151 I153 Y169 D171 D173 H175 G177 G179 V180 | G135-H137 PolarHBondContact O-N 2.99Å; H137-N151 PolarHBondContact O-ND2 3.47Å; H137-I153 HydrophobicContact CB-CD1 3.75Å; H137-Y169 WeakPolarHBondContact CB-OH 3.49Å; H137-D171 IonicContact CE1-OD2 2.88Å; H137-D171 IonicContact CG-OD2 2.75Å; H137-D171 IonicContact ND1-OD1 3.75Å; H137-D171 IonicContact ND1-OD2 3.93Å; H137-D171 PolarHBondContact ND1-OD2 3.32Å; H137-D173 VanDerWaalsContact CE1-CB 3.5Å; H137-D173 WeakPolarHBondContact CE1-CB 3.24Å; H137-D173 VanDerWaalsContact CE1-CG 3.41Å; H137-D173 IonicContact CE1-OD1 3.76Å; H137-D173 IonicContact CE1-OD2 3.71Å; H137-D173 IonicContact NE2-OD1 2.75Å; H137-D173 IonicContact NE2-OD2 3.6Å; H137-H175 PolarHBondContact CE1-O 3.29Å; H137-G177 WeakPolarHBondContact ND1-CA 3.29Å; H137-G179 WeakPolarHBondContact O-CA 3.32Å; H137-G179 PolarHBondContact O-N 2.88Å; H137-G179 VanDerWaalsContact O-N 3.08Å; H137-V180 HydrophobicContact CB-CG2 3.87Å; H137-V180 PolarHBondContact O-N 3.31Å |
| 138 | H | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24.8 | -176.2 | -69.2 | -53.1 | 0 | 0 | 0 | 113.5 | L136 K140 S145 G146 C148 H176 D178 F203 | L136-H138 PolarHBondContact O-N 2.93Å; H138-K140 WeakPolarHBondContact O-CD 3.42Å; H138-K140 WeakPolarHBondContact O-CE 3.41Å; H138-K140 PolarHBondContact O-N 2.89Å; H138-S145 WeakPolarHBondContact CB-O 3.23Å; H138-G146 PolarHBondContact CD2-O 3.37Å; H138-C148 HydrophobicContact CB-CB 4.04Å; H138-H176 PolarHBondContact CE1-O 2.94Å; H138-H176 PolarHBondContact ND1-O 2.8Å; H138-D178 WeakPolarHBondContact CA-OD1 3.35Å; H138-D178 IonicContact CE1-OD1 3.86Å; H138-D178 IonicContact CG-OD1 3.85Å; H138-D178 IonicContact ND1-OD1 2.83Å; H138-D178 PolarHBondContact ND1-OD1 2.89Å; H138-F203 AromaticContact CD2-CE1 3.76Å; H138-F203 AromaticContact CE1-CE1 3.63Å; H138-F203 AromaticContact CG-CE1 3.99Å; H138-F203 AromaticContact ND1-CE1 3.9Å; H138-F203 AromaticContact NE2-CE1 3.49Å; H138-F203 WeakPolarHBondContact NE2-CE1 3.47Å |
| 139 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -57.4 | 130.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C148 N151 | A139-C148 HydrophobicContact CB-CB 3.71Å; A139-N151 HydrophobicContact CB-CB 3.94Å; A139-N151 WeakPolarHBondContact O-CB 3.34Å; A139-N151 PolarHBondContact O-ND2 2.98Å | ||
| 140 | K | 98.5 | Very high | 98.5 | Very high | 16 Ų | 16 | 17 Ų | 17 | 7% | 0.07 | 8% | 0.08 | C | C | . | . | trans | -101.1 | 173 | -177.7 | -54.2 | -58.3 | -174.7 | 149.1 | 0 | 110.6 | H64 H138 F142 E143 D178 E182 | H64-K140 PolarHBondContact CE1-O 2.95Å; H64-K140 PolarHBondContact ND1-O 3.33Å; H138-K140 WeakPolarHBondContact O-CD 3.42Å; H138-K140 WeakPolarHBondContact O-CE 3.41Å; H138-K140 PolarHBondContact O-N 2.89Å; K140-F142 PolarHBondContact O-N 3.27Å; K140-E143 HydrophobicContact CB-CG 3.65Å; K140-E143 HydrophobicContact CG-CG 3.93Å; K140-E143 PolarHBondContact N-O 3.24Å; K140-D178 WeakPolarHBondContact CE-OD2 3.43Å; K140-D178 VanDerWaalsContact NZ-CG 3.29Å; K140-D178 PolarHBondContact NZ-O 3.35Å; K140-D178 IonicContact NZ-OD1 2.83Å; K140-D178 IonicContact NZ-OD2 2.79Å; K140-D178 PolarHBondContact NZ-OD2 2.94Å; K140-E182 WeakPolarHBondContact CD-OE2 3.5Å; K140-E182 WeakPolarHBondContact CE-OE2 3.38Å; K140-E182 IonicContact NZ-OE2 3.2Å; K140-E182 PolarHBondContact NZ-OE2 3.27Å | ||
| 141 | K | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 17 Ų | 17 | 39% | 0.387 | 8% | 0.08 | S | C | . | . | S | Bend | trans | -57.3 | -35.8 | -177.4 | -177.8 | 163.5 | -176.8 | 170.3 | 0 | 113.4 | F63 H64 S65 | F63-K141 HydrophobicContact CE2-CB 4.04Å; F63-K141 HydrophobicContact CE2-CG 4.46Å; F63-K141 HydrophobicContact CZ-CB 3.94Å; F63-K141 WeakPolarHBondContact O-CE 3.48Å; F63-K141 WeakPolarHBondContact O-CG 3.39Å; H64-K141 VanDerWaalsContact CA-O 3.31Å; H64-K141 WeakPolarHBondContact CA-O 3.34Å; H64-K141 PolarHBondContact ND1-O 2.64Å; S65-K141 PolarHBondContact N-O 3.22Å; S65-K141 VanDerWaalsContact N-O 3.11Å |
| 142 | F | 97.9 | Very high | 98.5 | Very high | 114 Ų | 114 | 17 Ų | 17 | 50% | 0.5 | 8% | 0.08 | S | C | . | . | S | Bend | trans | -122.2 | -0.9 | -172 | -51.1 | -73.2 | 0 | 0 | 0 | 113.9 | S65 Y91 K140 | S65-F142 WeakPolarHBondContact OG-CD1 3.33Å; Y91-F142 WeakPolarHBondContact CD1-O 3.3Å; K140-F142 PolarHBondContact O-N 3.27Å |
| 143 | E | 98.1 | Very high | 98.5 | Very high | 73 Ų | 73 | 16.9 Ų | 16.9 | 34% | 0.341 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -152.1 | 153.3 | -171.6 | 60.8 | 179.7 | -166.4 | 0 | 0 | 112.1 | N92 K140 | N92-E143 HydrophobicContact CB-CB 3.98Å; K140-E143 HydrophobicContact CB-CG 3.65Å; K140-E143 HydrophobicContact CG-CG 3.93Å; K140-E143 PolarHBondContact N-O 3.24Å |
| 144 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -75.6 | 156.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y68 Y91 N92 I93 C97 C148 Y149 | Y68-A144 WeakPolarHBondContact OH-CA 3.31Å; Y68-A144 WeakPolarHBondContact OH-CB 3.25Å; Y68-A144 PolarHBondContact OH-N 2.79Å; Y68-A144 VanDerWaalsContact OH-N 3.13Å; Y91-A144 PolarHBondContact O-N 3.39Å; N92-A144 VanDerWaalsContact CB-O 3.28Å; N92-A144 WeakPolarHBondContact CB-O 3.47Å; N92-A144 PolarHBondContact ND2-O 3.16Å; I93-A144 HydrophobicContact CD1-CB 4.23Å; C97-A144 HydrophobicContact CB-CB 3.69Å; A144-C148 CarbonylContact C-O 3.57Å; A144-C148 VanDerWaalsContact CA-O 3.24Å; A144-C148 WeakPolarHBondContact CA-O 3.42Å; A144-C148 WeakPolarHBondContact CB-O 3.27Å; A144-Y149 HydrophobicContact CB-CD1 3.6Å; A144-Y149 HydrophobicContact CB-CE1 3.93Å; A144-Y149 HydrophobicContact CB-CG 4.38Å | ||
| 145 | S | 98.3 | Very high | 98.5 | Very high | 12 Ų | 12 | 16.4 Ų | 16.4 | 8% | 0.084 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -165.3 | 144.1 | 173.9 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | H138 F147 C148 | H138-S145 WeakPolarHBondContact CB-O 3.23Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.14Å; S145-C148 PolarHBondContact N-O 3.05Å; S145-C148 WeakPolarHBondContact O-CA 3.42Å; S145-C148 WeakPolarHBondContact O-CB 3.26Å; S145-C148 PolarHBondContact O-N 3.12Å |
| 146 | G | 97.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 48.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D96 H138 C148 F203 | D96-G146 WeakPolarHBondContact OD2-CA 3.45Å; D96-G146 PolarHBondContact OD2-N 2.7Å; H138-G146 PolarHBondContact CD2-O 3.37Å; G146-C148 PolarHBondContact O-N 2.74Å; G146-C148 VanDerWaalsContact O-N 3.09Å; G146-C148 PolarHBondContact O-SG 3.3Å; G146-F203 VanDerWaalsContact CA-CZ 3.47Å |
| 147 | F | 97.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 16.2 Ų | 16.2 | 8% | 0.083 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 2.5 | -177.3 | -40.2 | -34.1 | 0 | 0 | 0 | 115.6 | Y20 H24 P25 M26 D96 S145 L269 Y301 | Y20-F147 HydrophobicContact CE1-CB 3.98Å; Y20-F147 WeakPolarHBondContact CE1-O 3.44Å; Y20-F147 PolarHBondContact OH-O 3.15Å; H24-F147 AromaticContact CE1-CD1 3.21Å; H24-F147 WeakPolarHBondContact CE1-CD1 3.29Å; H24-F147 AromaticContact CE1-CE1 3.53Å; H24-F147 AromaticContact CE1-CG 3.51Å; H24-F147 AromaticContact NE2-CD1 3.15Å; H24-F147 WeakPolarHBondContact NE2-CD1 3.25Å; H24-F147 AromaticContact NE2-CE1 3.34Å; H24-F147 VanDerWaalsContact NE2-CE1 3.34Å; H24-F147 WeakPolarHBondContact NE2-CE1 3.32Å; H24-F147 AromaticContact NE2-CG 3.93Å; P25-F147 HydrophobicContact CG-CE1 4.14Å; P25-F147 HydrophobicContact CG-CE2 3.66Å; P25-F147 HydrophobicContact CG-CZ 3.37Å; M26-F147 HydrophobicContact CB-CB 4.45Å; M26-F147 HydrophobicContact CB-CD2 4.35Å; M26-F147 HydrophobicContact CB-CG 4.45Å; M26-F147 HydrophobicContact CE-CB 4.17Å; M26-F147 HydrophobicContact CE-CD2 4.22Å; D96-F147 VanDerWaalsContact O-CD1 3.22Å; D96-F147 WeakPolarHBondContact O-CD1 3.5Å; D96-F147 WeakPolarHBondContact OD1-CD1 3.26Å; D96-F147 WeakPolarHBondContact OD1-CE1 3.45Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.14Å; F147-L269 HydrophobicContact CE2-CD1 3.67Å; F147-L269 HydrophobicContact CZ-CD1 3.86Å; F147-Y301 AromaticContact CD2-CE1 3.48Å; F147-Y301 HydrophobicContact CD2-CE1 3.48Å; F147-Y301 VanDerWaalsContact CD2-CE1 3.48Å; F147-Y301 AromaticContact CD2-CZ 3.74Å; F147-Y301 WeakPolarHBondContact CD2-OH 3.44Å; F147-Y301 HydrophobicContact CE2-CD1 4.24Å; F147-Y301 AromaticContact CE2-CE1 3.41Å; F147-Y301 HydrophobicContact CE2-CE1 3.41Å; F147-Y301 VanDerWaalsContact CE2-CE1 3.41Å; F147-Y301 AromaticContact CE2-CZ 3.57Å |
| 148 | C | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.034 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -103.9 | 126.9 | -175.2 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L136 H138 A139 A144 S145 G146 | L136-C148 WeakPolarHBondContact CA-SG 3.42Å; L136-C148 HydrophobicContact CB-CB 3.78Å; L136-C148 VanDerWaalsContact CB-SG 3.58Å; H138-C148 HydrophobicContact CB-CB 4.04Å; A139-C148 HydrophobicContact CB-CB 3.71Å; A144-C148 CarbonylContact C-O 3.57Å; A144-C148 VanDerWaalsContact CA-O 3.24Å; A144-C148 WeakPolarHBondContact CA-O 3.42Å; A144-C148 WeakPolarHBondContact CB-O 3.27Å; S145-C148 PolarHBondContact N-O 3.05Å; S145-C148 WeakPolarHBondContact O-CA 3.42Å; S145-C148 WeakPolarHBondContact O-CB 3.26Å; S145-C148 PolarHBondContact O-N 3.12Å; G146-C148 PolarHBondContact O-N 2.74Å; G146-C148 VanDerWaalsContact O-N 3.09Å; G146-C148 PolarHBondContact O-SG 3.3Å |
| 149 | Y | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -104.3 | -39.1 | 179.2 | -62.5 | -84.6 | 0 | 0 | 0 | 113.3 | Y20 Y68 L72 I93 C97 P98 F100 I103 A144 | Y20-Y149 AromaticContact CE1-CE2 3.65Å; Y20-Y149 HydrophobicContact CE1-CE2 3.65Å; Y20-Y149 AromaticContact CZ-CE2 3.81Å; Y68-Y149 VanDerWaalsContact CE1-O 3.27Å; Y68-Y149 WeakPolarHBondContact CE1-O 3.34Å; Y68-Y149 PolarHBondContact OH-O 2.91Å; L72-Y149 HydrophobicContact CD2-CD1 4Å; I93-Y149 HydrophobicContact CD1-CD1 4.46Å; I93-Y149 HydrophobicContact CD1-CE1 4.07Å; C97-Y149 WeakPolarHBondContact CA-OH 3.44Å; C97-Y149 HydrophobicContact CB-CE1 3.7Å; P98-Y149 WeakPolarHBondContact CD-OH 3.22Å; P98-Y149 PolarHBondContact O-OH 3.4Å; F100-Y149 HydrophobicContact CE1-CD2 4.36Å; F100-Y149 AromaticContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CZ-CE2 4.47Å; I103-Y149 HydrophobicContact CD1-CD1 3.38Å; I103-Y149 HydrophobicContact CD1-CD2 3.95Å; I103-Y149 HydrophobicContact CD1-CE1 3.23Å; I103-Y149 HydrophobicContact CD1-CE2 3.85Å; I103-Y149 HydrophobicContact CD1-CG 3.72Å; I103-Y149 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y149 HydrophobicContact CG1-CD1 4.19Å; I103-Y149 HydrophobicContact CG1-CD2 4.12Å; I103-Y149 HydrophobicContact CG1-CE1 4.37Å; I103-Y149 HydrophobicContact CG1-CE2 4.34Å; I103-Y149 HydrophobicContact CG1-CG 4.04Å; A144-Y149 HydrophobicContact CB-CD1 3.6Å; A144-Y149 HydrophobicContact CB-CE1 3.93Å; A144-Y149 HydrophobicContact CB-CG 4.38Å |
| 150 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -127.6 | 133.2 | 178.1 | 174 | 0 | 0 | 0 | 0 | 108.7 | M60 H64 I69 L72 H110 T111 D152 I155 | M60-V150 HydrophobicContact CG-CG1 4.13Å; M60-V150 HydrophobicContact SD-CG1 4.3Å; M60-V150 HydrophobicContact SD-CG2 4.03Å; H64-V150 WeakPolarHBondContact NE2-CA 3.47Å; I69-V150 HydrophobicContact CD1-CG2 3.96Å; L72-V150 HydrophobicContact CD1-CG2 3.95Å; H110-V150 PolarHBondContact CE1-O 3.26Å; T111-V150 HydrophobicContact CG2-CG1 4.24Å; T111-V150 VanDerWaalsContact OG1-CG1 3.26Å; T111-V150 WeakPolarHBondContact OG1-CG1 3.36Å; V150-D152 PolarHBondContact O-N 3.33Å; V150-I155 HydrophobicContact CG1-CD1 3.82Å |
| 151 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -89.9 | 86.6 | -178.3 | -160.5 | -46.3 | 0 | 0 | 0 | 110.2 | F63 H64 H137 A139 I153 V154 I155 | F63-N151 HydrophobicContact CD1-CB 4.04Å; F63-N151 HydrophobicContact CE1-CB 3.79Å; H64-N151 PolarHBondContact NE2-N 3.34Å; H137-N151 PolarHBondContact O-ND2 3.47Å; A139-N151 HydrophobicContact CB-CB 3.94Å; A139-N151 WeakPolarHBondContact O-CB 3.34Å; A139-N151 PolarHBondContact O-ND2 2.98Å; N151-I153 PolarHBondContact O-N 3.27Å; N151-I153 WeakPolarHBondContact OD1-CB 3.42Å; N151-I153 PolarHBondContact OD1-N 2.9Å; N151-V154 HydrophobicContact CB-CB 4.25Å; N151-V154 HydrophobicContact CB-CG2 4.21Å; N151-V154 VanDerWaalsContact CG-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.37Å; N151-V154 VanDerWaalsContact OD1-CG2 3.31Å; N151-V154 WeakPolarHBondContact OD1-CG2 3.46Å; N151-V154 PolarHBondContact OD1-N 3.22Å; N151-I155 PolarHBondContact O-N 2.88Å | ||
| 152 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -29.7 | -179.5 | 67.6 | -72.2 | 0 | 0 | 0 | 112.7 | H110 S114 G134 G135 L136 V150 A156 | H110-D152 IonicContact ND1-OD1 3.97Å; S114-D152 WeakPolarHBondContact CB-OD2 3.49Å; S114-D152 PolarHBondContact OG-OD2 3.47Å; G134-D152 VanDerWaalsContact CA-OD2 3.23Å; G134-D152 WeakPolarHBondContact CA-OD2 3.25Å; G135-D152 PolarHBondContact N-OD1 2.82Å; G135-D152 PolarHBondContact N-OD2 2.88Å; L136-D152 PolarHBondContact N-OD1 3.48Å; V150-D152 PolarHBondContact O-N 3.33Å; D152-A156 WeakPolarHBondContact O-CB 3.25Å; D152-A156 PolarHBondContact O-N 3.18Å |
| 153 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 177.7 | -66.4 | 161.2 | 0 | 0 | 0 | 110.6 | H137 N151 A156 T157 Y169 V180 V256 Q258 V296 | H137-I153 HydrophobicContact CB-CD1 3.75Å; N151-I153 PolarHBondContact O-N 3.27Å; N151-I153 WeakPolarHBondContact OD1-CB 3.42Å; N151-I153 PolarHBondContact OD1-N 2.9Å; I153-A156 PolarHBondContact O-N 2.9Å; I153-T157 VanDerWaalsContact O-CB 3.22Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.93Å; I153-T157 PolarHBondContact O-OG1 3.36Å; I153-Y169 HydrophobicContact CD1-CE2 3.89Å; I153-Y169 HydrophobicContact CG1-CE2 4.39Å; I153-Y169 HydrophobicContact CG2-CD2 3.71Å; I153-Y169 HydrophobicContact CG2-CE2 3.51Å; I153-V180 HydrophobicContact CB-CG2 3.93Å; I153-V180 HydrophobicContact CD1-CG2 4.03Å; I153-V180 HydrophobicContact CG2-CB 4.48Å; I153-V180 HydrophobicContact CG2-CG1 3.88Å; I153-V180 HydrophobicContact CG2-CG2 3.7Å; I153-V256 HydrophobicContact CG2-CG1 4.19Å; I153-Q258 HydrophobicContact CD1-CB 4.35Å; I153-Q258 HydrophobicContact CD1-CG 3.95Å; I153-V296 HydrophobicContact CD1-CG2 4.23Å; I153-V296 HydrophobicContact CG1-CG2 4.04Å |
| 154 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | F63 N151 A156 T157 L158 V180 A183 F184 | F63-V154 HydrophobicContact CB-CG1 3.94Å; F63-V154 HydrophobicContact CD1-CB 4.04Å; F63-V154 HydrophobicContact CD1-CG1 3.85Å; F63-V154 HydrophobicContact CD2-CB 4.46Å; F63-V154 HydrophobicContact CD2-CG1 3.44Å; F63-V154 VanDerWaalsContact CD2-CG1 3.44Å; F63-V154 HydrophobicContact CE1-CB 4.27Å; F63-V154 HydrophobicContact CE1-CG1 4.21Å; F63-V154 HydrophobicContact CE1-CG2 4.36Å; F63-V154 HydrophobicContact CE2-CG1 3.83Å; F63-V154 HydrophobicContact CG-CB 4.14Å; F63-V154 HydrophobicContact CG-CG1 3.45Å; F63-V154 VanDerWaalsContact CG-CG1 3.45Å; F63-V154 HydrophobicContact CZ-CG1 4.19Å; F63-V154 HydrophobicContact CZ-CG2 4.41Å; N151-V154 HydrophobicContact CB-CB 4.25Å; N151-V154 HydrophobicContact CB-CG2 4.21Å; N151-V154 VanDerWaalsContact CG-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.37Å; N151-V154 VanDerWaalsContact OD1-CG2 3.31Å; N151-V154 WeakPolarHBondContact OD1-CG2 3.46Å; N151-V154 PolarHBondContact OD1-N 3.22Å; V154-A156 PolarHBondContact O-N 2.81Å; V154-T157 PolarHBondContact O-N 3.01Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 2.73Å; V154-V180 HydrophobicContact CG2-CB 4.48Å; V154-V180 HydrophobicContact CG2-CG1 4.44Å; V154-V180 HydrophobicContact CG2-CG2 4.35Å; V154-A183 HydrophobicContact CB-CB 4.34Å; V154-A183 HydrophobicContact CG1-CB 3.81Å; V154-A183 HydrophobicContact CG2-CB 3.49Å; V154-A183 VanDerWaalsContact CG2-CB 3.49Å; V154-F184 HydrophobicContact CB-CE2 4.28Å; V154-F184 HydrophobicContact CB-CZ 4.41Å; V154-F184 HydrophobicContact CG1-CE2 4.13Å; V154-F184 HydrophobicContact CG1-CZ 3.86Å; V154-F184 HydrophobicContact CG2-CE2 3.94Å |
| 155 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 178.2 | -66.6 | 166 | 0 | 0 | 0 | 111 | F63 T111 L115 V150 N151 T157 L158 E159 | F63-I155 HydrophobicContact CB-CG1 3.92Å; T111-I155 HydrophobicContact CG2-CB 4.43Å; T111-I155 HydrophobicContact CG2-CD1 3.6Å; T111-I155 HydrophobicContact CG2-CG2 4.2Å; L115-I155 HydrophobicContact CD1-CG2 4.2Å; L115-I155 HydrophobicContact CD2-CG2 4.11Å; V150-I155 HydrophobicContact CG1-CD1 3.82Å; N151-I155 PolarHBondContact O-N 2.88Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.94Å; I155-L158 PolarHBondContact O-N 3.09Å; I155-E159 PolarHBondContact O-N 2.9Å; I155-E159 VanDerWaalsContact O-N 3.14Å |
| 156 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A118 D152 I153 V154 E159 L160 L294 | A118-A156 HydrophobicContact CB-CB 4.09Å; A118-A156 WeakPolarHBondContact CB-O 3.23Å; D152-A156 WeakPolarHBondContact O-CB 3.25Å; D152-A156 PolarHBondContact O-N 3.18Å; I153-A156 PolarHBondContact O-N 2.9Å; V154-A156 PolarHBondContact O-N 2.81Å; A156-E159 WeakPolarHBondContact O-CB 3.46Å; A156-E159 PolarHBondContact O-N 2.78Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.31Å; A156-L294 HydrophobicContact CB-CD2 3.82Å |
| 157 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 176.1 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | I153 V154 I155 E159 L160 L161 V167 F184 V190 | I153-T157 VanDerWaalsContact O-CB 3.22Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.93Å; I153-T157 PolarHBondContact O-OG1 3.36Å; V154-T157 PolarHBondContact O-N 3.01Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.94Å; T157-E159 PolarHBondContact O-N 3.37Å; T157-L160 PolarHBondContact O-N 2.96Å; T157-L161 HydrophobicContact CG2-CD1 4.25Å; T157-L161 HydrophobicContact CG2-CG 4.42Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.28Å; T157-V167 HydrophobicContact CG2-CB 4.13Å; T157-V167 HydrophobicContact CG2-CG1 3.93Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å; T157-F184 HydrophobicContact CG2-CE1 4.11Å; T157-F184 HydrophobicContact CG2-CE2 3.68Å; T157-F184 HydrophobicContact CG2-CZ 3.42Å; T157-F184 VanDerWaalsContact CG2-CZ 3.42Å; T157-V190 HydrophobicContact CG2-CG1 4.17Å; T157-V190 HydrophobicContact CG2-CG2 3.67Å |
| 158 | L | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 17.6 Ų | 17.6 | 33% | 0.325 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 173.4 | -70.3 | 172.6 | 0 | 0 | 0 | 111.6 | F63 V154 I155 L161 F184 | F63-L158 HydrophobicContact CB-CD1 4.19Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 2.73Å; I155-L158 PolarHBondContact O-N 3.09Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-F184 HydrophobicContact CD2-CE1 4.09Å; L158-F184 HydrophobicContact CD2-CZ 4.48Å; L158-F184 HydrophobicContact CG-CZ 4.45Å |
| 159 | E | 98.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.047 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.5 | -50.4 | 171.6 | 178.2 | 63.6 | -137.4 | 0 | 0 | 111.7 | L115 A118 K119 N122 I155 A156 T157 L161 K162 | L115-E159 HydrophobicContact CD1-CB 3.48Å; L115-E159 VanDerWaalsContact CD1-CB 3.48Å; L115-E159 HydrophobicContact CD1-CG 3.7Å; A118-E159 HydrophobicContact CB-CB 3.89Å; A118-E159 HydrophobicContact CB-CG 3.67Å; K119-E159 HydrophobicContact CG-CG 3.83Å; N122-E159 PolarHBondContact ND2-O 3.4Å; N122-E159 PolarHBondContact ND2-OE1 3.04Å; I155-E159 PolarHBondContact O-N 2.9Å; I155-E159 VanDerWaalsContact O-N 3.14Å; A156-E159 WeakPolarHBondContact O-CB 3.46Å; A156-E159 PolarHBondContact O-N 2.78Å; T157-E159 PolarHBondContact O-N 3.37Å; E159-L161 PolarHBondContact O-N 3.01Å; E159-K162 WeakPolarHBondContact O-CB 3.39Å; E159-K162 WeakPolarHBondContact O-CG 3.14Å; E159-K162 PolarHBondContact O-N 2.74Å; E159-K162 IonicContact OE1-NZ 3.86Å; E159-K162 PolarHBondContact OE1-NZ 2.6Å; E159-K162 WeakPolarHBondContact OE2-CE 3.34Å; E159-K162 IonicContact OE2-NZ 3.14Å; E159-K162 PolarHBondContact OE2-NZ 2.77Å |
| 160 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.3 | -39.8 | 177.6 | -72 | 170.7 | 0 | 0 | 0 | 112.2 | A118 L121 N122 A156 T157 K162 Y163 N164 V167 T254 V256 | A118-L160 HydrophobicContact CB-CD2 4.03Å; A118-L160 HydrophobicContact CB-CG 3.87Å; L121-L160 HydrophobicContact CB-CD2 4.12Å; L121-L160 HydrophobicContact CD1-CD2 4.26Å; N122-L160 WeakPolarHBondContact OD1-CA 3.21Å; N122-L160 PolarHBondContact OD1-O 3.16Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.31Å; T157-L160 PolarHBondContact O-N 2.96Å; L160-K162 PolarHBondContact O-N 2.88Å; L160-K162 VanDerWaalsContact O-N 3.12Å; L160-Y163 PolarHBondContact O-N 2.86Å; L160-Y163 VanDerWaalsContact O-N 3.15Å; L160-N164 VanDerWaalsContact O-CB 3.25Å; L160-N164 WeakPolarHBondContact O-CB 3.22Å; L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-ND2 2.82Å; L160-V167 HydrophobicContact CB-CG2 3.88Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; L160-T254 HydrophobicContact CB-CG2 4.19Å; L160-T254 HydrophobicContact CD1-CG2 4.13Å; L160-T254 HydrophobicContact CD2-CG2 4.24Å; L160-T254 HydrophobicContact CG-CG2 4.42Å; L160-V256 HydrophobicContact CD1-CG2 3.46Å; L160-V256 VanDerWaalsContact CD1-CG2 3.46Å |
| 161 | L | 97.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 17.4 Ų | 17.4 | 11% | 0.105 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.6 | 179.2 | -75.7 | 170.3 | 0 | 0 | 0 | 114.4 | T157 L158 E159 Y163 V167 F184 R189 V190 | T157-L161 HydrophobicContact CG2-CD1 4.25Å; T157-L161 HydrophobicContact CG2-CG 4.42Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.28Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; E159-L161 PolarHBondContact O-N 3.01Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.22Å; L161-V167 HydrophobicContact CD2-CG2 3.78Å; L161-V167 HydrophobicContact CG-CG2 3.94Å; L161-F184 HydrophobicContact CD1-CE1 4.22Å; L161-R189 HydrophobicContact CD2-CB 3.81Å; L161-R189 WeakPolarHBondContact CD2-O 3.36Å; L161-R189 PolarHBondContact O-NH2 3.49Å; L161-V190 HydrophobicContact CD1-CG2 3.73Å; L161-V190 HydrophobicContact CD2-CG2 4.08Å; L161-V190 HydrophobicContact CG-CG2 4.26Å |
| 162 | K | 96.5 | Very high | 98.3 | Very high | 87 Ų | 87 | 17.4 Ų | 17.4 | 38% | 0.378 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -35.4 | 172.6 | -66.9 | 174.9 | 179.9 | 172.1 | 0 | 112 | E159 L160 V385 D388 | E159-K162 WeakPolarHBondContact O-CB 3.39Å; E159-K162 WeakPolarHBondContact O-CG 3.14Å; E159-K162 PolarHBondContact O-N 2.74Å; E159-K162 IonicContact OE1-NZ 3.86Å; E159-K162 PolarHBondContact OE1-NZ 2.6Å; E159-K162 WeakPolarHBondContact OE2-CE 3.34Å; E159-K162 IonicContact OE2-NZ 3.14Å; E159-K162 PolarHBondContact OE2-NZ 2.77Å; L160-K162 PolarHBondContact O-N 2.88Å; L160-K162 VanDerWaalsContact O-N 3.12Å; K162-V385 HydrophobicContact CB-CG1 4.07Å; K162-V385 VanDerWaalsContact O-CG2 3.27Å; K162-V385 WeakPolarHBondContact O-CG2 3.45Å; K162-D388 IonicContact NZ-OD2 3.89Å; K162-D388 PolarHBondContact NZ-OD2 2.84Å |
| 163 | Y | 96.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 17.4 Ų | 17.4 | 34% | 0.341 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -16.4 | -175.7 | -60.5 | -94.9 | 0 | 0 | 0 | 113.1 | N122 L160 L161 V385 | N122-Y163 HydrophobicContact CB-CD2 3.5Å; N122-Y163 VanDerWaalsContact CB-CD2 3.5Å; N122-Y163 HydrophobicContact CB-CE2 3.95Å; N122-Y163 HydrophobicContact CB-CG 4.04Å; N122-Y163 WeakPolarHBondContact ND2-CD2 3.44Å; L160-Y163 PolarHBondContact O-N 2.86Å; L160-Y163 VanDerWaalsContact O-N 3.15Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.22Å; Y163-V385 HydrophobicContact CE1-CB 4.38Å; Y163-V385 HydrophobicContact CE1-CG1 4.21Å; Y163-V385 HydrophobicContact CE2-CG1 3.97Å |
| 164 | N | 97.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | trans | -106.9 | 121.2 | -177.3 | -68.5 | -83.3 | 0 | 0 | 0 | 110.7 | N122 L160 R166 V167 R189 T253 T254 | N122-N164 PolarHBondContact OD1-ND2 2.97Å; L160-N164 VanDerWaalsContact O-CB 3.25Å; L160-N164 WeakPolarHBondContact O-CB 3.22Å; L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-ND2 2.82Å; N164-R166 PolarHBondContact O-N 3.02Å; N164-V167 HydrophobicContact CB-CG2 4.14Å; N164-R189 PolarHBondContact O-NH2 3.12Å; N164-T253 VanDerWaalsContact CB-OG1 3.25Å; N164-T253 WeakPolarHBondContact CB-OG1 3.15Å; N164-T253 PolarHBondContact OD1-OG1 2.95Å; N164-T254 HydrophobicContact CB-CG2 3.8Å; N164-T254 VanDerWaalsContact CG-CG2 3.41Å | ||
| 165 | P | 96.2 | Very high | 98.3 | Very high | 40 Ų | 40 | 17.9 Ų | 17.9 | 26% | 0.26 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -64.3 | -30.4 | 175.1 | 24.8 | -34.3 | 0 | 0 | 0 | 112.3 | R189 T253 V380 | P165-R189 PolarHBondContact O-NE 3.34Å; P165-T253 WeakPolarHBondContact CD-OG1 3.21Å; P165-T253 HydrophobicContact CG-CG2 3.8Å; P165-V380 HydrophobicContact CB-CG2 4.46Å |
| 166 | R | 97.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 17.9 Ų | 17.9 | 14% | 0.136 | 8% | 0.084 | C | C | . | . | trans | -142.4 | 117.4 | -173.4 | -68 | -177.6 | -57.6 | -74 | -7.5 | 111.3 | N164 R189 Y250 R251 T253 P378 | N164-R166 PolarHBondContact O-N 3.02Å; R166-R189 WeakPolarHBondContact CA-O 3.32Å; R166-Y250 HydrophobicContact CB-CE1 3.82Å; R166-Y250 HydrophobicContact CB-CE2 4.26Å; R166-Y250 WeakPolarHBondContact CD-O 3.37Å; R166-Y250 HydrophobicContact CG-CE1 4.46Å; R166-Y250 HydrophobicContact CG-CE2 4Å; R166-Y250 PolarHBondContact NE-O 3Å; R166-R251 PolarHBondContact NE-O 3.29Å; R166-R251 PolarHBondContact NH2-O 3.03Å; R166-T253 PolarHBondContact O-N 2.84Å; R166-T253 PolarHBondContact O-OG1 2.98Å; R166-P378 WeakPolarHBondContact CD-O 3.37Å; R166-P378 HydrophobicContact CG-CG 4.11Å; R166-P378 PolarHBondContact NH1-O 3.35Å | ||
| 167 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.5 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | T157 L160 L161 N164 R189 V190 M191 T254 V256 | T157-V167 HydrophobicContact CG2-CB 4.13Å; T157-V167 HydrophobicContact CG2-CG1 3.93Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å; L160-V167 HydrophobicContact CB-CG2 3.88Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; L161-V167 HydrophobicContact CD2-CG2 3.78Å; L161-V167 HydrophobicContact CG-CG2 3.94Å; N164-V167 HydrophobicContact CB-CG2 4.14Å; V167-R189 PolarHBondContact N-O 2.89Å; V167-V190 HydrophobicContact CB-CG2 4.4Å; V167-V190 VanDerWaalsContact O-CA 3.29Å; V167-V190 WeakPolarHBondContact O-CA 3.29Å; V167-M191 PolarHBondContact O-N 2.89Å; V167-T254 HydrophobicContact CB-CG2 4.24Å; V167-T254 HydrophobicContact CG1-CG2 4.1Å; V167-T254 HydrophobicContact CG2-CG2 3.73Å; V167-V256 HydrophobicContact CG1-CG2 4.03Å |
| 168 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.5 | 171.1 | 169.5 | 62.9 | 0 | 0 | 0 | 109.2 | I170 M191 V193 V246 V247 Y250 P252 T254 I255 V256 | L168-I170 HydrophobicContact CD1-CG1 4.23Å; L168-I170 HydrophobicContact CD2-CD1 3.9Å; L168-I170 HydrophobicContact CD2-CG1 4.01Å; L168-I170 HydrophobicContact CG-CD1 4.24Å; L168-I170 HydrophobicContact CG-CG1 3.82Å; L168-M191 HydrophobicContact CD1-CB 4.23Å; L168-M191 HydrophobicContact CD1-CG 4.34Å; L168-V193 HydrophobicContact CD1-CG2 3.62Å; L168-V246 HydrophobicContact CD1-CG1 3.54Å; L168-V246 HydrophobicContact CD2-CG1 3.74Å; L168-V246 HydrophobicContact CG-CG1 4.31Å; L168-V247 HydrophobicContact CD2-CG2 4.11Å; L168-Y250 HydrophobicContact CB-CD1 4.38Å; L168-Y250 HydrophobicContact CB-CE1 4.44Å; L168-P252 HydrophobicContact CB-CB 3.5Å; L168-P252 HydrophobicContact CB-CG 3.7Å; L168-P252 HydrophobicContact CD2-CG 3.86Å; L168-P252 HydrophobicContact CG-CG 4.43Å; L168-T254 PolarHBondContact N-O 2.57Å; L168-I255 HydrophobicContact CB-CG1 4.25Å; L168-I255 HydrophobicContact CD2-CD1 4.31Å; L168-I255 HydrophobicContact CD2-CG1 4.3Å; L168-I255 CarbonylContact O-C 3.59Å; L168-I255 VanDerWaalsContact O-CA 3.24Å; L168-I255 WeakPolarHBondContact O-CA 3.42Å; L168-V256 PolarHBondContact O-N 3.01Å |
| 169 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.3 | 170 | 173.7 | -110 | 0 | 0 | 0 | 109.2 | H137 I153 D171 V180 M191 T192 V193 V256 Q258 | H137-Y169 WeakPolarHBondContact CB-OH 3.49Å; I153-Y169 HydrophobicContact CD1-CE2 3.89Å; I153-Y169 HydrophobicContact CG1-CE2 4.39Å; I153-Y169 HydrophobicContact CG2-CD2 3.71Å; I153-Y169 HydrophobicContact CG2-CE2 3.51Å; Y169-D171 HydrophobicContact CD1-CB 4.48Å; Y169-D171 HydrophobicContact CE1-CB 3.62Å; Y169-D171 VanDerWaalsContact OH-CG 3.28Å; Y169-D171 PolarHBondContact OH-OD2 3.15Å; Y169-V180 HydrophobicContact CD1-CB 4.22Å; Y169-V180 HydrophobicContact CD1-CG1 3.65Å; Y169-V180 HydrophobicContact CD2-CG1 4.19Å; Y169-V180 HydrophobicContact CE1-CB 3.84Å; Y169-V180 HydrophobicContact CE1-CG1 3.76Å; Y169-V180 HydrophobicContact CE1-CG2 4.16Å; Y169-V180 HydrophobicContact CE2-CG1 4.3Å; Y169-V180 HydrophobicContact CE2-CG2 4.39Å; Y169-V180 HydrophobicContact CG-CG1 3.87Å; Y169-M191 PolarHBondContact N-O 2.75Å; Y169-T192 HydrophobicContact CD1-CG2 3.93Å; Y169-T192 CarbonylContact O-C 3.55Å; Y169-V193 PolarHBondContact O-N 3.36Å; Y169-V256 CarbonylContact C-O 3.58Å; Y169-V256 WeakPolarHBondContact CA-O 3.24Å; Y169-V256 HydrophobicContact CD2-CB 4.11Å; Y169-V256 HydrophobicContact CD2-CG1 4.08Å; Y169-V256 HydrophobicContact CE2-CG1 4.44Å; Y169-Q258 HydrophobicContact CE2-CB 3.8Å; Y169-Q258 WeakPolarHBondContact OH-CB 3.47Å |
| 170 | I | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130 | 175.5 | -55.1 | 173.8 | 0 | 0 | 0 | 107.8 | L168 I172 V193 F239 I243 I255 V256 L257 Q258 V286 | L168-I170 HydrophobicContact CD1-CG1 4.23Å; L168-I170 HydrophobicContact CD2-CD1 3.9Å; L168-I170 HydrophobicContact CD2-CG1 4.01Å; L168-I170 HydrophobicContact CG-CD1 4.24Å; L168-I170 HydrophobicContact CG-CG1 3.82Å; I170-I172 HydrophobicContact CG2-CG2 4.41Å; I170-V193 CarbonylContact C-O 3.56Å; I170-V193 WeakPolarHBondContact CA-O 3.45Å; I170-F239 HydrophobicContact CG2-CE2 3.87Å; I170-F239 HydrophobicContact CG2-CZ 4.22Å; I170-I243 HydrophobicContact CD1-CD1 3.75Å; I170-I243 HydrophobicContact CD1-CG1 4.47Å; I170-I243 HydrophobicContact CD1-CG2 4.38Å; I170-I243 HydrophobicContact CG1-CD1 3.93Å; I170-I243 HydrophobicContact CG2-CD1 4Å; I170-I255 HydrophobicContact CD1-CG2 3.87Å; I170-I255 HydrophobicContact CG1-CG2 4.19Å; I170-V256 PolarHBondContact N-O 3.31Å; I170-L257 HydrophobicContact CB-CD1 3.78Å; I170-L257 HydrophobicContact CG2-CD1 3.71Å; I170-L257 WeakPolarHBondContact O-CA 3.36Å; I170-Q258 PolarHBondContact O-N 3.2Å; I170-V286 HydrophobicContact CD1-CG1 4.1Å; I170-V286 HydrophobicContact CD1-CG2 3.71Å |
| 171 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118 | -177.2 | -164.8 | -29.9 | 0 | 0 | 0 | 110 | H137 Y169 D173 G177 V193 F195 Q258 | H137-D171 IonicContact CE1-OD2 2.88Å; H137-D171 IonicContact CG-OD2 2.75Å; H137-D171 IonicContact ND1-OD1 3.75Å; H137-D171 IonicContact ND1-OD2 3.93Å; H137-D171 PolarHBondContact ND1-OD2 3.32Å; Y169-D171 HydrophobicContact CD1-CB 4.48Å; Y169-D171 HydrophobicContact CE1-CB 3.62Å; Y169-D171 VanDerWaalsContact OH-CG 3.28Å; Y169-D171 PolarHBondContact OH-OD2 3.15Å; D171-D173 WeakPolarHBondContact OD1-CB 3.35Å; D171-D173 PolarHBondContact OD1-N 2.95Å; D171-G177 VanDerWaalsContact OD2-CA 3.23Å; D171-G177 WeakPolarHBondContact OD2-CA 3.48Å; D171-V193 PolarHBondContact N-O 3.31Å; D171-F195 PolarHBondContact O-N 3.25Å; D171-Q258 HydrophobicContact CB-CB 4.5Å; D171-Q258 PolarHBondContact OD1-OE1 2.67Å |
| 172 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -112.3 | 13.5 | 177.4 | 60.5 | 174.4 | 0 | 0 | 0 | 112.8 | I170 Y235 F239 Q258 S263 H279 C282 V283 | I170-I172 HydrophobicContact CG2-CG2 4.41Å; I172-Y235 WeakPolarHBondContact CB-OH 3.08Å; I172-Y235 WeakPolarHBondContact CG2-OH 3.4Å; I172-F239 HydrophobicContact CG2-CD2 4.04Å; I172-F239 HydrophobicContact CG2-CE2 3.49Å; I172-F239 VanDerWaalsContact CG2-CE2 3.49Å; I172-F239 HydrophobicContact CG2-CZ 4.36Å; I172-Q258 VanDerWaalsContact CG1-O 3.24Å; I172-Q258 WeakPolarHBondContact CG1-O 3.48Å; I172-Q258 PolarHBondContact N-O 3.4Å; I172-S263 WeakPolarHBondContact O-CB 3.39Å; I172-S263 PolarHBondContact O-OG 3.19Å; I172-H279 WeakPolarHBondContact CD1-CE1 3.26Å; I172-H279 WeakPolarHBondContact CD1-NE2 3.32Å; I172-C282 HydrophobicContact CD1-CB 4.17Å; I172-V283 HydrophobicContact CD1-CG2 4.47Å | ||
| 173 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -61 | 150 | 164.4 | -157.4 | -77.6 | 0 | 0 | 0 | 110.7 | H137 D171 H175 Q258 G260 D262 G299 | H137-D173 VanDerWaalsContact CE1-CB 3.5Å; H137-D173 WeakPolarHBondContact CE1-CB 3.24Å; H137-D173 VanDerWaalsContact CE1-CG 3.41Å; H137-D173 IonicContact CE1-OD1 3.76Å; H137-D173 IonicContact CE1-OD2 3.71Å; H137-D173 IonicContact NE2-OD1 2.75Å; H137-D173 IonicContact NE2-OD2 3.6Å; D171-D173 WeakPolarHBondContact OD1-CB 3.35Å; D171-D173 PolarHBondContact OD1-N 2.95Å; D173-H175 PolarHBondContact O-N 2.93Å; D173-H175 WeakPolarHBondContact OD1-CB 3.1Å; D173-H175 IonicContact OD1-CG 3.72Å; D173-H175 PolarHBondContact OD1-N 2.79Å; D173-H175 IonicContact OD1-ND1 3.66Å; D173-H175 PolarHBondContact OD1-ND1 3.29Å; D173-Q258 PolarHBondContact OD2-NE2 2.89Å; D173-G260 WeakPolarHBondContact OD2-CA 3.34Å; D173-D262 VanDerWaalsContact OD1-OD1 3.07Å; D173-G299 WeakPolarHBondContact OD2-CA 3.23Å; D173-G299 PolarHBondContact OD2-N 3.3Å |
| 174 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -69.8 | -21.2 | 175.7 | 73 | 0 | 0 | 0 | 0 | 112.2 | H196 R197 F202 D262 F272 | V174-H196 CarbonylContact O-C 3.51Å; V174-H196 WeakPolarHBondContact O-CA 3.43Å; V174-H196 VanDerWaalsContact O-CB 3.28Å; V174-H196 WeakPolarHBondContact O-CB 3.34Å; V174-R197 HydrophobicContact CG2-CB 3.89Å; V174-R197 PolarHBondContact O-N 2.88Å; V174-F202 HydrophobicContact CG1-CZ 4.23Å; V174-F202 HydrophobicContact CG2-CE1 4.44Å; V174-F202 HydrophobicContact CG2-CZ 4.21Å; V174-D262 HydrophobicContact CG1-CB 3.86Å; V174-D262 VanDerWaalsContact CG1-CG 3.43Å; V174-D262 WeakPolarHBondContact CG1-OD1 3.35Å; V174-D262 PolarHBondContact N-OD1 3.24Å; V174-D262 VanDerWaalsContact N-OD1 3.15Å; V174-F272 HydrophobicContact CB-CD2 4.45Å; V174-F272 HydrophobicContact CG2-CD1 4.04Å; V174-F272 HydrophobicContact CG2-CD2 3.9Å; V174-F272 HydrophobicContact CG2-CE1 4.13Å; V174-F272 HydrophobicContact CG2-CE2 3.97Å; V174-F272 HydrophobicContact CG2-CG 3.91Å; V174-F272 HydrophobicContact CG2-CZ 4.07Å |
| 175 | H | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 16.1 Ų | 16.1 | 5% | 0.051 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -96 | 146.5 | 177.1 | -49.7 | 89.6 | 0 | 0 | 0 | 110.6 | H137 D173 G177 H196 F202 F203 D262 | H137-H175 PolarHBondContact CE1-O 3.29Å; D173-H175 PolarHBondContact O-N 2.93Å; D173-H175 WeakPolarHBondContact OD1-CB 3.1Å; D173-H175 IonicContact OD1-CG 3.72Å; D173-H175 PolarHBondContact OD1-N 2.79Å; D173-H175 IonicContact OD1-ND1 3.66Å; D173-H175 PolarHBondContact OD1-ND1 3.29Å; H175-G177 PolarHBondContact O-N 3.33Å; H175-H196 VanDerWaalsContact C-CB 3.48Å; H175-F202 AromaticContact CD2-CE1 3.43Å; H175-F202 VanDerWaalsContact CD2-CE1 3.43Å; H175-F202 WeakPolarHBondContact CD2-CE1 3.5Å; H175-F202 AromaticContact CD2-CZ 3.72Å; H175-F202 AromaticContact NE2-CE1 3.82Å; H175-F202 AromaticContact NE2-CZ 3.58Å; H175-F203 PolarHBondContact CD2-O 3.41Å; H175-D262 IonicContact CE1-OD2 3.72Å; H175-D262 PolarHBondContact CE1-OD2 3.05Å; H175-D262 IonicContact ND1-OD2 3.87Å; H175-D262 PolarHBondContact ND1-OD2 3.04Å |
| 176 | H | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | trans | -63.4 | 130 | 177.3 | 173.3 | -139.2 | 0 | 0 | 0 | 110.7 | H138 D178 Q181 H196 P204 T206 G207 N223 | H138-H176 PolarHBondContact CE1-O 2.94Å; H138-H176 PolarHBondContact ND1-O 2.8Å; H176-D178 WeakPolarHBondContact ND1-CB 3.42Å; H176-D178 PolarHBondContact O-N 2.91Å; H176-Q181 PolarHBondContact CE1-NE2 3.24Å; H176-Q181 VanDerWaalsContact CE1-NE2 3.34Å; H176-Q181 PolarHBondContact NE2-OE1 3.36Å; H176-H196 HydrophobicContact CB-CB 4.29Å; H176-H196 AromaticContact CD2-CE1 3.53Å; H176-H196 AromaticContact CD2-ND1 3.7Å; H176-H196 AromaticContact CG-CE1 3.77Å; H176-H196 AromaticContact CG-ND1 3.96Å; H176-P204 HydrophobicContact CB-CG 4.04Å; H176-T206 VanDerWaalsContact ND1-C 3.31Å; H176-T206 PolarHBondContact ND1-OG1 3.34Å; H176-G207 VanDerWaalsContact CE1-CA 3.48Å; H176-G207 WeakPolarHBondContact CE1-CA 3.14Å; H176-G207 PolarHBondContact CE1-N 3.12Å; H176-G207 VanDerWaalsContact ND1-CA 3.3Å; H176-G207 WeakPolarHBondContact ND1-CA 3.08Å; H176-G207 PolarHBondContact ND1-N 2.7Å; H176-G207 VanDerWaalsContact ND1-N 3.13Å; H176-N223 PolarHBondContact CD2-OD1 2.83Å; H176-N223 PolarHBondContact NE2-OD1 3.07Å | ||
| 177 | G | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | trans | -69.4 | 56.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | H137 D171 H175 G179 V180 Q181 | H137-G177 WeakPolarHBondContact ND1-CA 3.29Å; D171-G177 VanDerWaalsContact OD2-CA 3.23Å; D171-G177 WeakPolarHBondContact OD2-CA 3.48Å; H175-G177 PolarHBondContact O-N 3.33Å; G177-G179 PolarHBondContact O-N 3.44Å; G177-V180 PolarHBondContact O-N 3.32Å; G177-Q181 PolarHBondContact O-N 2.68Å | ||
| 178 | D | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | -167.1 | 73.3 | -42.4 | 0 | 0 | 0 | 113.5 | H138 K140 H176 E182 P204 T206 | H138-D178 WeakPolarHBondContact CA-OD1 3.35Å; H138-D178 IonicContact CE1-OD1 3.86Å; H138-D178 IonicContact CG-OD1 3.85Å; H138-D178 IonicContact ND1-OD1 2.83Å; H138-D178 PolarHBondContact ND1-OD1 2.89Å; K140-D178 WeakPolarHBondContact CE-OD2 3.43Å; K140-D178 VanDerWaalsContact NZ-CG 3.29Å; K140-D178 PolarHBondContact NZ-O 3.35Å; K140-D178 IonicContact NZ-OD1 2.83Å; K140-D178 IonicContact NZ-OD2 2.79Å; K140-D178 PolarHBondContact NZ-OD2 2.94Å; H176-D178 WeakPolarHBondContact ND1-CB 3.42Å; H176-D178 PolarHBondContact O-N 2.91Å; D178-E182 WeakPolarHBondContact O-CB 3.38Å; D178-E182 PolarHBondContact O-N 3.18Å; D178-P204 HydrophobicContact CB-CG 3.88Å; D178-T206 WeakPolarHBondContact CB-OG1 3.39Å |
| 179 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H137 G177 A183 | H137-G179 WeakPolarHBondContact O-CA 3.32Å; H137-G179 PolarHBondContact O-N 2.88Å; H137-G179 VanDerWaalsContact O-N 3.08Å; G177-G179 PolarHBondContact O-N 3.44Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.68Å; G179-A183 VanDerWaalsContact O-N 3.1Å |
| 180 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.3 | -45.7 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | H137 I153 V154 Y169 G177 E182 A183 F184 T192 | H137-V180 HydrophobicContact CB-CG2 3.87Å; H137-V180 PolarHBondContact O-N 3.31Å; I153-V180 HydrophobicContact CB-CG2 3.93Å; I153-V180 HydrophobicContact CD1-CG2 4.03Å; I153-V180 HydrophobicContact CG2-CB 4.48Å; I153-V180 HydrophobicContact CG2-CG1 3.88Å; I153-V180 HydrophobicContact CG2-CG2 3.7Å; V154-V180 HydrophobicContact CG2-CB 4.48Å; V154-V180 HydrophobicContact CG2-CG1 4.44Å; V154-V180 HydrophobicContact CG2-CG2 4.35Å; Y169-V180 HydrophobicContact CD1-CB 4.22Å; Y169-V180 HydrophobicContact CD1-CG1 3.65Å; Y169-V180 HydrophobicContact CD2-CG1 4.19Å; Y169-V180 HydrophobicContact CE1-CB 3.84Å; Y169-V180 HydrophobicContact CE1-CG1 3.76Å; Y169-V180 HydrophobicContact CE1-CG2 4.16Å; Y169-V180 HydrophobicContact CE2-CG1 4.3Å; Y169-V180 HydrophobicContact CE2-CG2 4.39Å; Y169-V180 HydrophobicContact CG-CG1 3.87Å; G177-V180 PolarHBondContact O-N 3.32Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.49Å; V180-A183 PolarHBondContact O-N 2.82Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.2Å; V180-F184 WeakPolarHBondContact O-CD2 3.38Å; V180-F184 PolarHBondContact O-N 3.41Å; V180-T192 HydrophobicContact CG1-CG2 4.25Å |
| 181 | Q | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 175 | 174.3 | 171.6 | -75.8 | 0 | 0 | 111.1 | H176 G177 A183 F184 Y185 E211 A221 N223 | H176-Q181 PolarHBondContact CE1-NE2 3.24Å; H176-Q181 VanDerWaalsContact CE1-NE2 3.34Å; H176-Q181 PolarHBondContact NE2-OE1 3.36Å; G177-Q181 PolarHBondContact O-N 2.68Å; Q181-A183 PolarHBondContact O-N 3.2Å; Q181-F184 CarbonylContact O-C 3.55Å; Q181-F184 PolarHBondContact O-N 3.23Å; Q181-Y185 HydrophobicContact CG-CD2 3.79Å; Q181-Y185 HydrophobicContact CG-CE2 4.22Å; Q181-Y185 WeakPolarHBondContact O-CA 3.1Å; Q181-Y185 WeakPolarHBondContact O-CB 3.18Å; Q181-Y185 PolarHBondContact O-N 2.99Å; Q181-E211 PolarHBondContact NE2-OE2 2.97Å; Q181-A221 HydrophobicContact CG-CB 4.12Å; Q181-N223 PolarHBondContact OE1-ND2 2.95Å; Q181-N223 PolarHBondContact OE1-OD1 2.85Å; Q181-N223 VanDerWaalsContact OE1-OD1 3.13Å |
| 182 | E | 98.7 | Very high | 98.5 | Very high | 107 Ų | 107 | 24.3 Ų | 24.3 | 50% | 0.5 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61 | -45 | -179.9 | -175.2 | -175.6 | 132.3 | 0 | 0 | 112.1 | K140 D178 V180 F184 Y185 | K140-E182 WeakPolarHBondContact CD-OE2 3.5Å; K140-E182 WeakPolarHBondContact CE-OE2 3.38Å; K140-E182 IonicContact NZ-OE2 3.2Å; K140-E182 PolarHBondContact NZ-OE2 3.27Å; D178-E182 WeakPolarHBondContact O-CB 3.38Å; D178-E182 PolarHBondContact O-N 3.18Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.49Å; E182-F184 PolarHBondContact O-N 3.11Å; E182-Y185 PolarHBondContact O-N 3.05Å |
| 183 | A | 98.7 | Very high | 98.5 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 30% | 0.298 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -58.9 | -31.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F63 V154 G179 V180 Q181 | F63-A183 HydrophobicContact CD2-CB 4.48Å; F63-A183 HydrophobicContact CE2-CB 3.62Å; F63-A183 HydrophobicContact CZ-CB 3.84Å; V154-A183 HydrophobicContact CB-CB 4.34Å; V154-A183 HydrophobicContact CG1-CB 3.81Å; V154-A183 HydrophobicContact CG2-CB 3.49Å; V154-A183 VanDerWaalsContact CG2-CB 3.49Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.68Å; G179-A183 VanDerWaalsContact O-N 3.1Å; V180-A183 PolarHBondContact O-N 2.82Å; Q181-A183 PolarHBondContact O-N 3.2Å |
| 184 | F | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -113.2 | 9 | -176.7 | -61.5 | -61.3 | 0 | 0 | 0 | 114.5 | V154 T157 L158 L161 V180 Q181 E182 L186 T187 V190 | V154-F184 HydrophobicContact CB-CE2 4.28Å; V154-F184 HydrophobicContact CB-CZ 4.41Å; V154-F184 HydrophobicContact CG1-CE2 4.13Å; V154-F184 HydrophobicContact CG1-CZ 3.86Å; V154-F184 HydrophobicContact CG2-CE2 3.94Å; T157-F184 HydrophobicContact CG2-CE1 4.11Å; T157-F184 HydrophobicContact CG2-CE2 3.68Å; T157-F184 HydrophobicContact CG2-CZ 3.42Å; T157-F184 VanDerWaalsContact CG2-CZ 3.42Å; L158-F184 HydrophobicContact CD2-CE1 4.09Å; L158-F184 HydrophobicContact CD2-CZ 4.48Å; L158-F184 HydrophobicContact CG-CZ 4.45Å; L161-F184 HydrophobicContact CD1-CE1 4.22Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.2Å; V180-F184 WeakPolarHBondContact O-CD2 3.38Å; V180-F184 PolarHBondContact O-N 3.41Å; Q181-F184 CarbonylContact O-C 3.55Å; Q181-F184 PolarHBondContact O-N 3.23Å; E182-F184 PolarHBondContact O-N 3.11Å; F184-L186 PolarHBondContact O-N 3.04Å; F184-T187 HydrophobicContact CB-CG2 3.83Å; F184-T187 HydrophobicContact CD1-CG2 3.86Å; F184-T187 HydrophobicContact CG-CG2 4.31Å; F184-T187 VanDerWaalsContact O-CG2 3.3Å; F184-T187 WeakPolarHBondContact O-CG2 3.47Å; F184-T187 PolarHBondContact O-N 3.08Å; F184-T187 VanDerWaalsContact O-N 3.08Å; F184-V190 HydrophobicContact CB-CB 3.89Å; F184-V190 HydrophobicContact CB-CG1 4.12Å; F184-V190 HydrophobicContact CB-CG2 4.46Å; F184-V190 HydrophobicContact CD1-CB 3.98Å; F184-V190 HydrophobicContact CD1-CG1 4.45Å; F184-V190 HydrophobicContact CD1-CG2 3.58Å; F184-V190 HydrophobicContact CD2-CB 4.2Å; F184-V190 HydrophobicContact CD2-CG1 3.79Å; F184-V190 HydrophobicContact CD2-CG2 4.3Å; F184-V190 HydrophobicContact CE1-CG2 3.81Å; F184-V190 HydrophobicContact CE2-CG1 4.33Å; F184-V190 HydrophobicContact CE2-CG2 4.48Å; F184-V190 HydrophobicContact CG-CB 3.75Å; F184-V190 HydrophobicContact CG-CG1 3.86Å; F184-V190 HydrophobicContact CG-CG2 3.85Å; F184-V190 HydrophobicContact CZ-CG2 4.26Å |
| 185 | Y | 98.5 | Very high | 98.5 | Very high | 68 Ų | 68 | 24.5 Ų | 24.5 | 27% | 0.267 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | -172.7 | -157.8 | -106.9 | 0 | 0 | 0 | 114.7 | Q181 E182 G213 A214 A221 | Q181-Y185 HydrophobicContact CG-CD2 3.79Å; Q181-Y185 HydrophobicContact CG-CE2 4.22Å; Q181-Y185 WeakPolarHBondContact O-CA 3.1Å; Q181-Y185 WeakPolarHBondContact O-CB 3.18Å; Q181-Y185 PolarHBondContact O-N 2.99Å; E182-Y185 PolarHBondContact O-N 3.05Å; Y185-G213 VanDerWaalsContact CE2-CA 3.46Å; Y185-G213 WeakPolarHBondContact O-CA 3.24Å; Y185-G213 PolarHBondContact OH-N 3.48Å; Y185-A214 HydrophobicContact CD1-CB 3.93Å; Y185-A214 HydrophobicContact CE1-CB 3.75Å; Y185-A214 PolarHBondContact O-N 3.28Å; Y185-A221 HydrophobicContact CE2-CB 4.42Å |
| 186 | L | 98.2 | Very high | 98.5 | Very high | 88 Ų | 88 | 24 Ų | 24 | 46% | 0.461 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -0.8 | -174.7 | -57.3 | -176 | 0 | 0 | 0 | 114.4 | F184 A214 K215 G217 | F184-L186 PolarHBondContact O-N 3.04Å; L186-A214 WeakPolarHBondContact CA-O 3.13Å; L186-A214 HydrophobicContact CD2-CB 3.75Å; L186-K215 HydrophobicContact CD1-CD 4.35Å; L186-K215 HydrophobicContact CD2-CB 4.35Å; L186-K215 HydrophobicContact CD2-CD 4.14Å; L186-K215 HydrophobicContact CD2-CG 4.15Å; L186-G217 VanDerWaalsContact C-N 3.34Å; L186-G217 PolarHBondContact O-N 3.03Å; L186-G217 VanDerWaalsContact O-N 3.17Å |
| 187 | T | 96.9 | Very high | 98.5 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 24% | 0.239 | 12% | 0.124 | C | C | . | . | trans | -114.4 | 147.4 | -176.3 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | F184 R189 V190 G217 | F184-T187 HydrophobicContact CB-CG2 3.83Å; F184-T187 HydrophobicContact CD1-CG2 3.86Å; F184-T187 HydrophobicContact CG-CG2 4.31Å; F184-T187 VanDerWaalsContact O-CG2 3.3Å; F184-T187 WeakPolarHBondContact O-CG2 3.47Å; F184-T187 PolarHBondContact O-N 3.08Å; F184-T187 VanDerWaalsContact O-N 3.08Å; T187-R189 PolarHBondContact OG1-N 3.16Å; T187-R189 VanDerWaalsContact OG1-N 3.17Å; T187-V190 HydrophobicContact CG2-CB 4.29Å; T187-V190 HydrophobicContact CG2-CG2 4.39Å; T187-G217 VanDerWaalsContact C-CA 3.44Å; T187-G217 WeakPolarHBondContact O-CA 3.44Å | ||
| 188 | D | 96.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 28.1 Ų | 28.1 | 27% | 0.267 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -91.4 | -9.5 | 171.5 | 58.8 | -0.2 | 0 | 0 | 0 | 112.4 | V190 Y220 Y250 P378 | D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.21Å; D188-Y220 HydrophobicContact CB-CD1 4.21Å; D188-Y220 HydrophobicContact CB-CD2 3.88Å; D188-Y220 HydrophobicContact CB-CE1 3.86Å; D188-Y220 HydrophobicContact CB-CE2 3.45Å; D188-Y220 VanDerWaalsContact CB-CE2 3.45Å; D188-Y220 HydrophobicContact CB-CG 4.24Å; D188-Y220 VanDerWaalsContact CB-CZ 3.44Å; D188-Y220 WeakPolarHBondContact O-CD1 3.32Å; D188-Y220 WeakPolarHBondContact O-CE1 3.38Å; D188-Y250 VanDerWaalsContact O-CE2 3.24Å; D188-Y250 WeakPolarHBondContact O-CE2 3.42Å; D188-Y250 PolarHBondContact O-OH 3.27Å; D188-P378 HydrophobicContact CB-CB 4.03Å; D188-P378 HydrophobicContact CB-CG 3.95Å; D188-P378 VanDerWaalsContact O-CG 3.29Å; D188-P378 WeakPolarHBondContact O-CG 3.4Å; D188-P378 WeakPolarHBondContact OD2-CB 3.21Å |
| 189 | R | 97.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 28.8 Ų | 28.8 | 24% | 0.242 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -79.6 | -11.3 | -178.4 | -64 | -167.3 | 60.7 | -167 | -1.8 | 114.6 | L161 N164 P165 R166 V167 T187 Y250 V380 | L161-R189 HydrophobicContact CD2-CB 3.81Å; L161-R189 WeakPolarHBondContact CD2-O 3.36Å; L161-R189 PolarHBondContact O-NH2 3.49Å; N164-R189 PolarHBondContact O-NH2 3.12Å; P165-R189 PolarHBondContact O-NE 3.34Å; R166-R189 WeakPolarHBondContact CA-O 3.32Å; V167-R189 PolarHBondContact N-O 2.89Å; T187-R189 PolarHBondContact OG1-N 3.16Å; T187-R189 VanDerWaalsContact OG1-N 3.17Å; R189-Y250 PolarHBondContact O-OH 2.85Å; R189-V380 HydrophobicContact CG-CG2 4.22Å |
| 190 | V | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.3 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | T157 L161 V167 F184 T187 D188 T192 Y250 | T157-V190 HydrophobicContact CG2-CG1 4.17Å; T157-V190 HydrophobicContact CG2-CG2 3.67Å; L161-V190 HydrophobicContact CD1-CG2 3.73Å; L161-V190 HydrophobicContact CD2-CG2 4.08Å; L161-V190 HydrophobicContact CG-CG2 4.26Å; V167-V190 HydrophobicContact CB-CG2 4.4Å; V167-V190 VanDerWaalsContact O-CA 3.29Å; V167-V190 WeakPolarHBondContact O-CA 3.29Å; F184-V190 HydrophobicContact CB-CB 3.89Å; F184-V190 HydrophobicContact CB-CG1 4.12Å; F184-V190 HydrophobicContact CB-CG2 4.46Å; F184-V190 HydrophobicContact CD1-CB 3.98Å; F184-V190 HydrophobicContact CD1-CG1 4.45Å; F184-V190 HydrophobicContact CD1-CG2 3.58Å; F184-V190 HydrophobicContact CD2-CB 4.2Å; F184-V190 HydrophobicContact CD2-CG1 3.79Å; F184-V190 HydrophobicContact CD2-CG2 4.3Å; F184-V190 HydrophobicContact CE1-CG2 3.81Å; F184-V190 HydrophobicContact CE2-CG1 4.33Å; F184-V190 HydrophobicContact CE2-CG2 4.48Å; F184-V190 HydrophobicContact CG-CB 3.75Å; F184-V190 HydrophobicContact CG-CG1 3.86Å; F184-V190 HydrophobicContact CG-CG2 3.85Å; F184-V190 HydrophobicContact CZ-CG2 4.26Å; T187-V190 HydrophobicContact CG2-CB 4.29Å; T187-V190 HydrophobicContact CG2-CG2 4.39Å; D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.21Å; V190-T192 HydrophobicContact CG1-CG2 4.39Å; V190-Y250 WeakPolarHBondContact CA-OH 3.31Å; V190-Y250 PolarHBondContact N-OH 3.13Å |
| 191 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.4 | 168.3 | -176.5 | 172.9 | -76 | 0 | 0 | 108.6 | V167 L168 Y169 V193 Y220 V222 V246 Y250 L371 L374 | V167-M191 PolarHBondContact O-N 2.89Å; L168-M191 HydrophobicContact CD1-CB 4.23Å; L168-M191 HydrophobicContact CD1-CG 4.34Å; Y169-M191 PolarHBondContact N-O 2.75Å; M191-V193 HydrophobicContact CG-CG2 4.4Å; M191-Y220 CarbonylContact C-O 3.6Å; M191-Y220 VanDerWaalsContact CA-O 3.24Å; M191-Y220 WeakPolarHBondContact CA-O 3.47Å; M191-Y220 HydrophobicContact CB-CD1 4.36Å; M191-Y220 HydrophobicContact CE-CD1 3.57Å; M191-Y220 HydrophobicContact CE-CE1 4.03Å; M191-Y220 HydrophobicContact CE-CG 4.3Å; M191-Y220 WeakPolarHBondContact CG-O 3.49Å; M191-V222 HydrophobicContact CG-CG2 4.37Å; M191-V222 HydrophobicContact SD-CG2 4.28Å; M191-V246 HydrophobicContact SD-CB 4.45Å; M191-V246 HydrophobicContact SD-CG1 3.73Å; M191-V246 HydrophobicContact SD-CG2 4.28Å; M191-Y250 HydrophobicContact CB-CD1 3.61Å; M191-Y250 HydrophobicContact CB-CD2 4.19Å; M191-Y250 HydrophobicContact CB-CE1 3.47Å; M191-Y250 VanDerWaalsContact CB-CE1 3.47Å; M191-Y250 HydrophobicContact CB-CE2 4.08Å; M191-Y250 HydrophobicContact CB-CG 3.97Å; M191-Y250 HydrophobicContact CE-CD1 4.48Å; M191-Y250 HydrophobicContact CE-CD2 3.58Å; M191-Y250 HydrophobicContact CE-CE2 4.32Å; M191-Y250 HydrophobicContact CE-CG 3.68Å; M191-Y250 HydrophobicContact CG-CD1 4.47Å; M191-Y250 PolarHBondContact N-OH 3.4Å; M191-Y250 HydrophobicContact SD-CD1 4.16Å; M191-Y250 HydrophobicContact SD-CD2 4.31Å; M191-Y250 HydrophobicContact SD-CG 3.82Å; M191-L371 HydrophobicContact CE-CD2 4.13Å; M191-L371 HydrophobicContact SD-CD2 4.23Å; M191-L374 HydrophobicContact CE-CD1 3.56Å |
| 192 | T | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.5 | 174.6 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | Y169 V180 V190 Y220 V222 | Y169-T192 HydrophobicContact CD1-CG2 3.93Å; Y169-T192 CarbonylContact O-C 3.55Å; V180-T192 HydrophobicContact CG1-CG2 4.25Å; V190-T192 HydrophobicContact CG1-CG2 4.39Å; T192-Y220 PolarHBondContact N-O 3.04Å; T192-V222 WeakPolarHBondContact O-CB 3.38Å; T192-V222 PolarHBondContact O-N 3.26Å |
| 193 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 116.8 | 174.7 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | L168 Y169 I170 D171 M191 F195 V222 V242 I243 V246 | L168-V193 HydrophobicContact CD1-CG2 3.62Å; Y169-V193 PolarHBondContact O-N 3.36Å; I170-V193 CarbonylContact C-O 3.56Å; I170-V193 WeakPolarHBondContact CA-O 3.45Å; D171-V193 PolarHBondContact N-O 3.31Å; M191-V193 HydrophobicContact CG-CG2 4.4Å; V193-F195 HydrophobicContact CG1-CD2 4.31Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.92Å; V193-V222 VanDerWaalsContact CA-O 3.29Å; V193-V222 WeakPolarHBondContact CA-O 3.34Å; V193-V222 HydrophobicContact CB-CB 4.43Å; V193-V222 HydrophobicContact CG1-CB 4.26Å; V193-V222 HydrophobicContact CG1-CG1 4.12Å; V193-V222 HydrophobicContact CG2-CB 4.09Å; V193-V222 HydrophobicContact CG2-CG2 4.46Å; V193-V242 HydrophobicContact CG1-CG1 3.87Å; V193-I243 HydrophobicContact CB-CD1 4.42Å; V193-I243 HydrophobicContact CG1-CD1 4.04Å; V193-V246 HydrophobicContact CG2-CG1 3.98Å; V193-V246 HydrophobicContact CG2-CG2 3.85Å |
| 194 | S | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.2 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | H196 V222 V224 | S194-H196 WeakPolarHBondContact CB-ND1 3.43Å; S194-H196 PolarHBondContact OG-ND1 3.41Å; S194-V222 PolarHBondContact N-O 2.95Å; S194-V224 PolarHBondContact O-N 2.78Å |
| 195 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 84.9 | 180 | -63.6 | -96.8 | 0 | 0 | 0 | 110 | D171 V193 V224 L226 Y235 F239 V242 I243 | D171-F195 PolarHBondContact O-N 3.25Å; V193-F195 HydrophobicContact CG1-CD2 4.31Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.92Å; F195-V224 HydrophobicContact CD1-CB 3.64Å; F195-V224 HydrophobicContact CD1-CG1 3.71Å; F195-V224 HydrophobicContact CD1-CG2 3.83Å; F195-V224 HydrophobicContact CE1-CB 3.99Å; F195-V224 HydrophobicContact CE1-CG1 4.01Å; F195-V224 HydrophobicContact CE1-CG2 3.66Å; F195-V224 HydrophobicContact CG-CB 4.22Å; F195-V224 HydrophobicContact CG-CG2 4.45Å; F195-V224 HydrophobicContact CZ-CG2 4.17Å; F195-L226 HydrophobicContact CB-CD1 4.38Å; F195-Y235 HydrophobicContact CB-CE2 3.97Å; F195-Y235 VanDerWaalsContact CB-OH 3.28Å; F195-Y235 WeakPolarHBondContact CB-OH 3.28Å; F195-F239 HydrophobicContact CD1-CD2 4.4Å; F195-F239 AromaticContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CE2 4.14Å; F195-F239 HydrophobicContact CE1-CB 4.22Å; F195-F239 HydrophobicContact CE1-CD2 4.16Å; F195-F239 AromaticContact CE2-CD2 3.51Å; F195-F239 HydrophobicContact CE2-CD2 3.51Å; F195-F239 AromaticContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CG-CD2 4.24Å; F195-F239 HydrophobicContact CZ-CB 4.39Å; F195-F239 AromaticContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CE2 4.36Å; F195-F239 HydrophobicContact CZ-CG 4.34Å; F195-V242 HydrophobicContact CE1-CB 4Å; F195-V242 HydrophobicContact CE1-CG1 4.18Å; F195-V242 HydrophobicContact CE1-CG2 4.27Å; F195-V242 HydrophobicContact CZ-CB 3.78Å; F195-V242 HydrophobicContact CZ-CG1 3.66Å; F195-I243 HydrophobicContact CE2-CD1 3.94Å; F195-I243 HydrophobicContact CE2-CG1 4.25Å; F195-I243 HydrophobicContact CZ-CD1 4.16Å; F195-I243 HydrophobicContact CZ-CG1 4.17Å |
| 196 | H | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 165.6 | -167.9 | 52.8 | -96.9 | 0 | 0 | 0 | 111.3 | V174 H175 H176 S194 G207 V224 L226 | V174-H196 CarbonylContact O-C 3.51Å; V174-H196 WeakPolarHBondContact O-CA 3.43Å; V174-H196 VanDerWaalsContact O-CB 3.28Å; V174-H196 WeakPolarHBondContact O-CB 3.34Å; H175-H196 VanDerWaalsContact C-CB 3.48Å; H176-H196 HydrophobicContact CB-CB 4.29Å; H176-H196 AromaticContact CD2-CE1 3.53Å; H176-H196 AromaticContact CD2-ND1 3.7Å; H176-H196 AromaticContact CG-CE1 3.77Å; H176-H196 AromaticContact CG-ND1 3.96Å; S194-H196 WeakPolarHBondContact CB-ND1 3.43Å; S194-H196 PolarHBondContact OG-ND1 3.41Å; H196-G207 WeakPolarHBondContact NE2-CA 3.36Å; H196-G207 PolarHBondContact NE2-O 3.12Å; H196-V224 PolarHBondContact N-O 2.82Å; H196-L226 PolarHBondContact O-N 3.31Å |
| 197 | R | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.1 | 172.8 | -168.9 | -93.1 | -175.1 | -158.2 | 16.2 | 109.6 | V174 G199 F202 L226 E228 V271 F272 | V174-R197 HydrophobicContact CG2-CB 3.89Å; V174-R197 PolarHBondContact O-N 2.88Å; R197-G199 PolarHBondContact NH1-O 3.42Å; R197-F202 HydrophobicContact CB-CD1 4.04Å; R197-F202 HydrophobicContact CB-CE1 3.85Å; R197-F202 HydrophobicContact CB-CZ 4.3Å; R197-F202 HydrophobicContact CG-CD1 4.43Å; R197-F202 WeakPolarHBondContact O-CD1 3.48Å; R197-L226 WeakPolarHBondContact CA-O 3.4Å; R197-E228 IonicContact CZ-OE2 3.57Å; R197-E228 IonicContact NE-OE2 3.77Å; R197-E228 IonicContact NH2-OE2 2.78Å; R197-E228 PolarHBondContact NH2-OE2 3.3Å; R197-E228 VanDerWaalsContact NH2-OE2 3.14Å; R197-V271 HydrophobicContact CB-CG2 4.26Å; R197-V271 HydrophobicContact CG-CG2 3.66Å; R197-F272 HydrophobicContact CB-CD1 4.42Å; R197-F272 HydrophobicContact CB-CE1 3.55Å; R197-F272 HydrophobicContact CB-CZ 3.82Å; R197-F272 HydrophobicContact CG-CE1 3.96Å |
| 198 | Y | 98.4 | Very high | 97.8 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | trans | -129.5 | 155.9 | -178.3 | -176.7 | -102.4 | 0 | 0 | 0 | 113.1 | T206 D208 P225 L226 | Y198-T206 WeakPolarHBondContact CD2-O 3.49Å; Y198-D208 HydrophobicContact CE1-CB 4.02Å; Y198-D208 HydrophobicContact CE2-CB 4.15Å; Y198-D208 WeakPolarHBondContact OH-CB 3.43Å; Y198-P225 HydrophobicContact CD1-CB 3.85Å; Y198-P225 HydrophobicContact CG-CB 3.78Å; Y198-L226 PolarHBondContact N-O 2.64Å | ||
| 199 | G | 96.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 103.2 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R197 M201 F202 | R197-G199 PolarHBondContact NH1-O 3.42Å; G199-M201 PolarHBondContact O-N 3.04Å; G199-F202 PolarHBondContact O-N 3.23Å |
| 200 | N | 95.1 | Very high | 97.7 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 75% | 0.749 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.6 | 34.8 | 171.3 | -58.7 | -23.3 | 0 | 0 | 0 | 116.3 | F202 | N200-F202 PolarHBondContact O-N 3.38Š|
| 201 | M | 94.7 | Very high | 97.7 | Very high | 186 Ų | 186 | 46.7 Ų | 46.7 | 92% | 0.916 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.8 | -176.3 | -52.4 | 178.5 | -67.9 | 0 | 0 | 115.3 | G199 F203 | G199-M201 PolarHBondContact O-N 3.04Å; M201-F203 PolarHBondContact O-N 3.42Å |
| 202 | F | 97.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | trans | -66.9 | 133.8 | 173.3 | -175.3 | -93.9 | 0 | 0 | 0 | 109.9 | V174 H175 R197 G199 N200 G205 V271 | V174-F202 HydrophobicContact CG1-CZ 4.23Å; V174-F202 HydrophobicContact CG2-CE1 4.44Å; V174-F202 HydrophobicContact CG2-CZ 4.21Å; H175-F202 AromaticContact CD2-CE1 3.43Å; H175-F202 VanDerWaalsContact CD2-CE1 3.43Å; H175-F202 WeakPolarHBondContact CD2-CE1 3.5Å; H175-F202 AromaticContact CD2-CZ 3.72Å; H175-F202 AromaticContact NE2-CE1 3.82Å; H175-F202 AromaticContact NE2-CZ 3.58Å; R197-F202 HydrophobicContact CB-CD1 4.04Å; R197-F202 HydrophobicContact CB-CE1 3.85Å; R197-F202 HydrophobicContact CB-CZ 4.3Å; R197-F202 HydrophobicContact CG-CD1 4.43Å; R197-F202 WeakPolarHBondContact O-CD1 3.48Å; G199-F202 PolarHBondContact O-N 3.23Å; N200-F202 PolarHBondContact O-N 3.38Å; F202-G205 WeakPolarHBondContact O-CA 3.27Å; F202-G205 PolarHBondContact O-N 2.92Å; F202-V271 HydrophobicContact CE2-CG1 4.46Å; F202-V271 HydrophobicContact CE2-CG2 4.09Å; F202-V271 HydrophobicContact CZ-CG2 4.43Å | ||
| 203 | F | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 138.4 | -174.6 | -178.2 | -94.1 | 0 | 0 | 0 | 110.9 | H138 G146 H175 M201 | H138-F203 AromaticContact CD2-CE1 3.76Å; H138-F203 AromaticContact CE1-CE1 3.63Å; H138-F203 AromaticContact CG-CE1 3.99Å; H138-F203 AromaticContact ND1-CE1 3.9Å; H138-F203 AromaticContact NE2-CE1 3.49Å; H138-F203 WeakPolarHBondContact NE2-CE1 3.47Å; G146-F203 VanDerWaalsContact CA-CZ 3.47Å; H175-F203 PolarHBondContact CD2-O 3.41Å; M201-F203 PolarHBondContact O-N 3.42Å |
| 204 | P | 98.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 20% | 0.195 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -88.1 | 7.7 | 1.5 | 34.7 | -35.9 | 0 | 0 | 0 | 115 | H176 D178 T206 | H176-P204 HydrophobicContact CB-CG 4.04Å; D178-P204 HydrophobicContact CB-CG 3.88Å; P204-T206 VanDerWaalsContact C-N 3.25Å; P204-T206 WeakPolarHBondContact CG-OG1 3.49Å; P204-T206 PolarHBondContact O-N 3.24Å |
| 205 | G | 97.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 58 Ų | 58 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 78 | 7.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F202 | F202-G205 WeakPolarHBondContact O-CA 3.27Å; F202-G205 PolarHBondContact O-N 2.92Å |
| 206 | T | 98.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | trans | -116 | 178.2 | 174.5 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | H176 D178 Y198 P204 E211 | H176-T206 VanDerWaalsContact ND1-C 3.31Å; H176-T206 PolarHBondContact ND1-OG1 3.34Å; D178-T206 WeakPolarHBondContact CB-OG1 3.39Å; Y198-T206 WeakPolarHBondContact CD2-O 3.49Å; P204-T206 VanDerWaalsContact C-N 3.25Å; P204-T206 WeakPolarHBondContact CG-OG1 3.49Å; P204-T206 PolarHBondContact O-N 3.24Å; T206-E211 WeakPolarHBondContact CA-OE1 3.42Å | ||
| 207 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | 93.8 | 24.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H176 H196 E211 N223 | H176-G207 VanDerWaalsContact CE1-CA 3.48Å; H176-G207 WeakPolarHBondContact CE1-CA 3.14Å; H176-G207 PolarHBondContact CE1-N 3.12Å; H176-G207 VanDerWaalsContact ND1-CA 3.3Å; H176-G207 WeakPolarHBondContact ND1-CA 3.08Å; H176-G207 PolarHBondContact ND1-N 2.7Å; H176-G207 VanDerWaalsContact ND1-N 3.13Å; H196-G207 WeakPolarHBondContact NE2-CA 3.36Å; H196-G207 PolarHBondContact NE2-O 3.12Å; G207-E211 VanDerWaalsContact N-CD 3.34Å; G207-E211 PolarHBondContact N-OE1 3.45Å; G207-E211 PolarHBondContact N-OE2 2.98Å; G207-N223 WeakPolarHBondContact O-CB 3.35Å | ||
| 208 | D | 97.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | trans | -60.1 | 150.1 | 169.1 | -161.9 | -10.8 | 0 | 0 | 0 | 110 | Y198 Y210 E211 N223 | Y198-D208 HydrophobicContact CE1-CB 4.02Å; Y198-D208 HydrophobicContact CE2-CB 4.15Å; Y198-D208 WeakPolarHBondContact OH-CB 3.43Å; D208-Y210 PolarHBondContact O-N 3.43Å; D208-Y210 WeakPolarHBondContact OD2-CD2 3.38Å; D208-E211 HydrophobicContact CB-CG 4.31Å; D208-E211 PolarHBondContact N-OE1 3.4Å; D208-E211 WeakPolarHBondContact O-CB 3.38Å; D208-E211 PolarHBondContact O-N 3.44Å; D208-N223 WeakPolarHBondContact O-CB 3.28Å; D208-N223 PolarHBondContact O-ND2 3.36Å | ||
| 209 | M | 95.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 23% | 0.232 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.4 | 175.6 | 57.6 | 168.5 | 159.5 | 0 | 0 | 113.3 | I212 P225 L363 T366 | M209-I212 WeakPolarHBondContact O-CG2 3.26Å; M209-P225 HydrophobicContact CB-CG 3.89Å; M209-P225 HydrophobicContact CG-CG 4.4Å; M209-L363 HydrophobicContact SD-CD2 4.34Å; M209-T366 HydrophobicContact SD-CG2 4.26Å |
| 210 | Y | 96.5 | Very high | 97.2 | Very high | 163 Ų | 163 | 63.5 Ų | 63.5 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.3 | 176.7 | -54.9 | -59.7 | 0 | 0 | 0 | 113.9 | D208 I212 | D208-Y210 PolarHBondContact O-N 3.43Å; D208-Y210 WeakPolarHBondContact OD2-CD2 3.38Å; Y210-I212 PolarHBondContact O-N 2.9Å |
| 211 | E | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | trans | -78.4 | 73.6 | 173.4 | -66.8 | 177 | -131.4 | 0 | 0 | 110.5 | Q181 T206 G207 D208 N223 | Q181-E211 PolarHBondContact NE2-OE2 2.97Å; T206-E211 WeakPolarHBondContact CA-OE1 3.42Å; G207-E211 VanDerWaalsContact N-CD 3.34Å; G207-E211 PolarHBondContact N-OE1 3.45Å; G207-E211 PolarHBondContact N-OE2 2.98Å; D208-E211 HydrophobicContact CB-CG 4.31Å; D208-E211 PolarHBondContact N-OE1 3.4Å; D208-E211 WeakPolarHBondContact O-CB 3.38Å; D208-E211 PolarHBondContact O-N 3.44Å; E211-N223 PolarHBondContact O-ND2 3.46Å | ||
| 212 | I | 98.2 | Very high | 97.6 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | trans | -95.5 | 11.9 | -168.3 | 59.6 | 168.5 | 0 | 0 | 0 | 114.8 | M209 Y210 K218 Y219 A221 | M209-I212 WeakPolarHBondContact O-CG2 3.26Å; Y210-I212 PolarHBondContact O-N 2.9Å; I212-K218 HydrophobicContact CD1-CG 4.18Å; I212-K218 CarbonylContact O-C 3.58Å; I212-Y219 HydrophobicContact CD1-CD1 3.89Å; I212-Y219 HydrophobicContact CD1-CE1 3.58Å; I212-Y219 WeakPolarHBondContact O-CA 3.28Å; I212-Y219 PolarHBondContact O-N 3.03Å; I212-A221 WeakPolarHBondContact CA-O 3.34Å | ||
| 213 | G | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | trans | 85.1 | 171.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y185 G217 | Y185-G213 VanDerWaalsContact CE2-CA 3.46Å; Y185-G213 WeakPolarHBondContact O-CA 3.24Å; Y185-G213 PolarHBondContact OH-N 3.48Å; G213-G217 WeakPolarHBondContact CA-O 3.14Å | ||
| 214 | A | 97.8 | Very high | 97.7 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | trans | -142.8 | 165.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y185 L186 A216 G217 K218 | Y185-A214 HydrophobicContact CD1-CB 3.93Å; Y185-A214 HydrophobicContact CE1-CB 3.75Å; Y185-A214 PolarHBondContact O-N 3.28Å; L186-A214 WeakPolarHBondContact CA-O 3.13Å; L186-A214 HydrophobicContact CD2-CB 3.75Å; A214-A216 PolarHBondContact O-N 2.91Å; A214-G217 CarbonylContact O-C 3.53Å; A214-G217 WeakPolarHBondContact O-CA 3.44Å; A214-G217 PolarHBondContact O-N 3.03Å; A214-K218 PolarHBondContact O-N 2.6Å | ||
| 215 | K | 96.6 | Very high | 97.7 | Very high | 176 Ų | 176 | 42.4 Ų | 42.4 | 77% | 0.765 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | 52.1 | -125.4 | -175.9 | -58 | -178.2 | -178.6 | 175 | 0 | 110.5 | L186 G217 K218 | L186-K215 HydrophobicContact CD1-CD 4.35Å; L186-K215 HydrophobicContact CD2-CB 4.35Å; L186-K215 HydrophobicContact CD2-CD 4.14Å; L186-K215 HydrophobicContact CD2-CG 4.15Å; K215-G217 VanDerWaalsContact C-N 3.28Å; K215-G217 PolarHBondContact O-N 3.41Å; K215-K218 PolarHBondContact O-N 3.27Å |
| 216 | A | 95.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 48% | 0.479 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.2 | -30.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A214 K218 Y220 | A214-A216 PolarHBondContact O-N 2.91Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 2.99Å; A216-Y220 WeakPolarHBondContact O-CE2 3.2Å |
| 217 | G | 96.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -79.6 | 5.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | L186 T187 G213 A214 K215 Y219 Y220 | L186-G217 VanDerWaalsContact C-N 3.34Å; L186-G217 PolarHBondContact O-N 3.03Å; L186-G217 VanDerWaalsContact O-N 3.17Å; T187-G217 VanDerWaalsContact C-CA 3.44Å; T187-G217 WeakPolarHBondContact O-CA 3.44Å; G213-G217 WeakPolarHBondContact CA-O 3.14Å; A214-G217 CarbonylContact O-C 3.53Å; A214-G217 WeakPolarHBondContact O-CA 3.44Å; A214-G217 PolarHBondContact O-N 3.03Å; K215-G217 VanDerWaalsContact C-N 3.28Å; K215-G217 PolarHBondContact O-N 3.41Å; G217-Y219 PolarHBondContact O-N 2.79Å; G217-Y220 WeakPolarHBondContact O-CB 3.21Å; G217-Y220 PolarHBondContact O-N 2.89Å |
| 218 | K | 97.6 | Very high | 97.7 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 130.3 | 175.4 | -169.3 | -176.9 | 178.6 | -175.4 | 0 | 110.5 | I212 A214 K215 A216 Y220 | I212-K218 HydrophobicContact CD1-CG 4.18Å; I212-K218 CarbonylContact O-C 3.58Å; A214-K218 PolarHBondContact O-N 2.6Å; K215-K218 PolarHBondContact O-N 3.27Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 2.99Å; K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 VanDerWaalsContact O-CD2 3.28Å; K218-Y220 WeakPolarHBondContact O-CD2 3.23Å |
| 219 | Y | 98 | Very high | 97.8 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.8 | -169.8 | -52.8 | -72.8 | 0 | 0 | 0 | 116.2 | I212 G217 N370 Q373 | I212-Y219 HydrophobicContact CD1-CD1 3.89Å; I212-Y219 HydrophobicContact CD1-CE1 3.58Å; I212-Y219 WeakPolarHBondContact O-CA 3.28Å; I212-Y219 PolarHBondContact O-N 3.03Å; G217-Y219 PolarHBondContact O-N 2.79Å; Y219-N370 HydrophobicContact CD1-CB 3.91Å; Y219-N370 HydrophobicContact CE1-CB 4.36Å; Y219-Q373 HydrophobicContact CD1-CB 4.2Å; Y219-Q373 HydrophobicContact CD1-CG 4.24Å; Y219-Q373 HydrophobicContact CD2-CB 3.66Å; Y219-Q373 HydrophobicContact CD2-CG 4.37Å; Y219-Q373 HydrophobicContact CE1-CB 4.1Å; Y219-Q373 HydrophobicContact CE1-CG 3.76Å; Y219-Q373 HydrophobicContact CE2-CB 3.54Å; Y219-Q373 HydrophobicContact CE2-CG 3.92Å; Y219-Q373 HydrophobicContact CG-CB 3.99Å |
| 220 | Y | 98.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | trans | -101 | -1.1 | 176.1 | -64.8 | -93.2 | 0 | 0 | 0 | 113.5 | D188 M191 T192 A216 G217 K218 Y250 L374 P378 | D188-Y220 HydrophobicContact CB-CD1 4.21Å; D188-Y220 HydrophobicContact CB-CD2 3.88Å; D188-Y220 HydrophobicContact CB-CE1 3.86Å; D188-Y220 HydrophobicContact CB-CE2 3.45Å; D188-Y220 VanDerWaalsContact CB-CE2 3.45Å; D188-Y220 HydrophobicContact CB-CG 4.24Å; D188-Y220 VanDerWaalsContact CB-CZ 3.44Å; D188-Y220 WeakPolarHBondContact O-CD1 3.32Å; D188-Y220 WeakPolarHBondContact O-CE1 3.38Å; M191-Y220 CarbonylContact C-O 3.6Å; M191-Y220 VanDerWaalsContact CA-O 3.24Å; M191-Y220 WeakPolarHBondContact CA-O 3.47Å; M191-Y220 HydrophobicContact CB-CD1 4.36Å; M191-Y220 HydrophobicContact CE-CD1 3.57Å; M191-Y220 HydrophobicContact CE-CE1 4.03Å; M191-Y220 HydrophobicContact CE-CG 4.3Å; M191-Y220 WeakPolarHBondContact CG-O 3.49Å; T192-Y220 PolarHBondContact N-O 3.04Å; A216-Y220 WeakPolarHBondContact O-CE2 3.2Å; G217-Y220 WeakPolarHBondContact O-CB 3.21Å; G217-Y220 PolarHBondContact O-N 2.89Å; K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 VanDerWaalsContact O-CD2 3.28Å; K218-Y220 WeakPolarHBondContact O-CD2 3.23Å; Y220-Y250 AromaticContact CD1-CD2 3.92Å; Y220-Y250 HydrophobicContact CD1-CD2 3.92Å; Y220-Y250 AromaticContact CD1-CE2 3.57Å; Y220-Y250 HydrophobicContact CD1-CE2 3.57Å; Y220-Y250 AromaticContact CE1-CD2 3.64Å; Y220-Y250 HydrophobicContact CE1-CD2 3.64Å; Y220-Y250 AromaticContact CE1-CE2 3.43Å; Y220-Y250 HydrophobicContact CE1-CE2 3.43Å; Y220-Y250 VanDerWaalsContact CE1-CE2 3.43Å; Y220-L374 HydrophobicContact CD2-CD2 4.31Å; Y220-L374 HydrophobicContact CE1-CD2 4.15Å; Y220-L374 HydrophobicContact CE2-CD2 3.75Å; Y220-P378 HydrophobicContact CE1-CG 3.93Å; Y220-P378 WeakPolarHBondContact OH-CD 3.48Å | ||
| 221 | A | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q181 Y185 I212 | Q181-A221 HydrophobicContact CG-CB 4.12Å; Y185-A221 HydrophobicContact CE2-CB 4.42Å; I212-A221 WeakPolarHBondContact CA-O 3.34Å |
| 222 | V | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 101.5 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | M191 T192 V193 S194 V242 V367 L371 | M191-V222 HydrophobicContact CG-CG2 4.37Å; M191-V222 HydrophobicContact SD-CG2 4.28Å; T192-V222 WeakPolarHBondContact O-CB 3.38Å; T192-V222 PolarHBondContact O-N 3.26Å; V193-V222 VanDerWaalsContact CA-O 3.29Å; V193-V222 WeakPolarHBondContact CA-O 3.34Å; V193-V222 HydrophobicContact CB-CB 4.43Å; V193-V222 HydrophobicContact CG1-CB 4.26Å; V193-V222 HydrophobicContact CG1-CG1 4.12Å; V193-V222 HydrophobicContact CG2-CB 4.09Å; V193-V222 HydrophobicContact CG2-CG2 4.46Å; S194-V222 PolarHBondContact N-O 2.95Å; V222-V242 HydrophobicContact CG1-CG1 4.24Å; V222-V367 HydrophobicContact CG1-CB 4.5Å; V222-V367 HydrophobicContact CG1-CG1 3.58Å; V222-V367 HydrophobicContact CG1-CG2 4.11Å; V222-L371 HydrophobicContact CG2-CD2 4.25Å |
| 223 | N | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.6 | 175.3 | -68.6 | -49.9 | 0 | 0 | 0 | 111 | H176 Q181 G207 D208 E211 P225 | H176-N223 PolarHBondContact CD2-OD1 2.83Å; H176-N223 PolarHBondContact NE2-OD1 3.07Å; Q181-N223 PolarHBondContact OE1-ND2 2.95Å; Q181-N223 PolarHBondContact OE1-OD1 2.85Å; Q181-N223 VanDerWaalsContact OE1-OD1 3.13Å; G207-N223 WeakPolarHBondContact O-CB 3.35Å; D208-N223 WeakPolarHBondContact O-CB 3.28Å; D208-N223 PolarHBondContact O-ND2 3.36Å; E211-N223 PolarHBondContact O-ND2 3.46Å; N223-P225 VanDerWaalsContact C-CD 3.41Å; N223-P225 WeakPolarHBondContact O-CD 3.49Å |
| 224 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 82.3 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | S194 F195 H196 L226 V238 V242 L363 V367 | S194-V224 PolarHBondContact O-N 2.78Å; F195-V224 HydrophobicContact CD1-CB 3.64Å; F195-V224 HydrophobicContact CD1-CG1 3.71Å; F195-V224 HydrophobicContact CD1-CG2 3.83Å; F195-V224 HydrophobicContact CE1-CB 3.99Å; F195-V224 HydrophobicContact CE1-CG1 4.01Å; F195-V224 HydrophobicContact CE1-CG2 3.66Å; F195-V224 HydrophobicContact CG-CB 4.22Å; F195-V224 HydrophobicContact CG-CG2 4.45Å; F195-V224 HydrophobicContact CZ-CG2 4.17Å; H196-V224 PolarHBondContact N-O 2.82Å; V224-L226 HydrophobicContact CG1-CD2 4.01Å; V224-L226 HydrophobicContact CG1-CG 4.33Å; V224-L226 PolarHBondContact O-N 3.08Å; V224-L226 VanDerWaalsContact O-N 3.16Å; V224-V238 HydrophobicContact CG1-CG2 3.85Å; V224-V242 HydrophobicContact CG2-CG1 4.14Å; V224-V242 HydrophobicContact CG2-CG2 4.2Å; V224-L363 HydrophobicContact CG1-CD1 4.41Å; V224-V367 HydrophobicContact CG2-CG2 4.35Å |
| 225 | P | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 106.3 | -177.5 | 27.3 | -34.6 | 0 | 0 | 0 | 110.7 | Y198 M209 N223 Y359 L363 | Y198-P225 HydrophobicContact CD1-CB 3.85Å; Y198-P225 HydrophobicContact CG-CB 3.78Å; M209-P225 HydrophobicContact CB-CG 3.89Å; M209-P225 HydrophobicContact CG-CG 4.4Å; N223-P225 VanDerWaalsContact C-CD 3.41Å; N223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-Y359 PolarHBondContact O-OH 2.97Å; P225-L363 HydrophobicContact CG-CD2 3.93Å; P225-L363 WeakPolarHBondContact O-CD1 3.42Å |
| 226 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 165.3 | 179.1 | -58.4 | 172 | 0 | 0 | 0 | 111.3 | F195 H196 R197 Y198 V224 I230 Y235 V238 F272 I360 L363 | F195-L226 HydrophobicContact CB-CD1 4.38Å; H196-L226 PolarHBondContact O-N 3.31Å; R197-L226 WeakPolarHBondContact CA-O 3.4Å; Y198-L226 PolarHBondContact N-O 2.64Å; V224-L226 HydrophobicContact CG1-CD2 4.01Å; V224-L226 HydrophobicContact CG1-CG 4.33Å; V224-L226 PolarHBondContact O-N 3.08Å; V224-L226 VanDerWaalsContact O-N 3.16Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD2-CD1 3.95Å; L226-I230 HydrophobicContact CG-CD1 4.39Å; L226-Y235 HydrophobicContact CD1-CD2 3.68Å; L226-Y235 HydrophobicContact CD1-CE2 3.65Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; L226-F272 HydrophobicContact CB-CE1 4.11Å; L226-F272 HydrophobicContact CB-CZ 3.72Å; L226-F272 HydrophobicContact CD1-CE2 4.11Å; L226-F272 HydrophobicContact CD1-CZ 3.95Å; L226-F272 HydrophobicContact CG-CZ 4.45Å; L226-I360 HydrophobicContact CD2-CD1 3.73Å; L226-L363 HydrophobicContact CD2-CD1 4.13Å |
| 227 | K | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 32.2 Ų | 32.2 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -102.3 | 164.7 | 173.2 | -58.2 | 177.1 | 180 | -178.5 | 0 | 110.3 | F272 A354 N355 Y359 | K227-F272 WeakPolarHBondContact O-CE1 3.33Å; K227-A354 HydrophobicContact CB-CB 3.86Å; K227-A354 HydrophobicContact CD-CB 4.33Å; K227-A354 WeakPolarHBondContact CD-O 3.32Å; K227-N355 WeakPolarHBondContact CB-OD1 3.5Å; K227-N355 PolarHBondContact N-OD1 3.38Å; K227-N355 PolarHBondContact O-ND2 3.41Å; K227-Y359 HydrophobicContact CD-CD1 4.45Å; K227-Y359 HydrophobicContact CD-CE1 4.3Å; K227-Y359 HydrophobicContact CG-CE1 4.07Å |
| 228 | E | 97.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 156.7 | 175.7 | 60.3 | -142.9 | -154.9 | 0 | 0 | 114 | R197 I230 V271 A354 N355 | R197-E228 IonicContact CZ-OE2 3.57Å; R197-E228 IonicContact NE-OE2 3.77Å; R197-E228 IonicContact NH2-OE2 2.78Å; R197-E228 PolarHBondContact NH2-OE2 3.3Å; R197-E228 VanDerWaalsContact NH2-OE2 3.14Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 2.7Å; E228-V271 CarbonylContact C-O 3.57Å; E228-V271 WeakPolarHBondContact CA-O 3.4Å; E228-V271 HydrophobicContact CB-CB 4Å; E228-V271 HydrophobicContact CB-CG2 3.81Å; E228-A354 HydrophobicContact CG-CB 4.14Å; E228-A354 WeakPolarHBondContact O-CB 3.34Å; E228-A354 PolarHBondContact O-N 3.05Å; E228-N355 PolarHBondContact O-ND2 3.24Å |
| 229 | G | 97.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | D231 V271 N273 N353 | G229-D231 PolarHBondContact O-N 3.25Å; G229-V271 PolarHBondContact N-O 3.18Å; G229-N273 WeakPolarHBondContact CA-ND2 3.41Å; G229-N273 PolarHBondContact O-ND2 2.84Å; G229-N353 WeakPolarHBondContact O-CA 3.31Å; G229-N353 WeakPolarHBondContact O-CB 3.38Å |
| 230 | I | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -58.3 | 130.8 | 179.1 | -159.4 | 169.5 | 0 | 0 | 0 | 111.3 | L226 E228 M234 Y235 F272 N273 L274 N355 I360 | L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD2-CD1 3.95Å; L226-I230 HydrophobicContact CG-CD1 4.39Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 2.7Å; I230-M234 HydrophobicContact CD1-CB 4.41Å; I230-M234 HydrophobicContact CD1-CG 4.19Å; I230-M234 HydrophobicContact CG1-CB 4.02Å; I230-M234 HydrophobicContact CG1-CG 4.18Å; I230-M234 HydrophobicContact CG1-SD 4.44Å; I230-Y235 HydrophobicContact CD1-CD2 4.18Å; I230-Y235 HydrophobicContact CG2-CD2 3.88Å; I230-F272 HydrophobicContact CG2-CB 4.08Å; I230-F272 HydrophobicContact CG2-CD1 3.67Å; I230-F272 HydrophobicContact CG2-CD2 3.79Å; I230-F272 HydrophobicContact CG2-CE1 3.99Å; I230-F272 HydrophobicContact CG2-CE2 4.14Å; I230-F272 HydrophobicContact CG2-CG 3.57Å; I230-F272 HydrophobicContact CG2-CZ 4.23Å; I230-N273 CarbonylContact O-C 3.55Å; I230-N273 WeakPolarHBondContact O-CA 3.41Å; I230-N273 WeakPolarHBondContact O-CB 3.36Å; I230-N273 PolarHBondContact O-N 3.04Å; I230-L274 HydrophobicContact CG2-CD2 4.48Å; I230-N355 WeakPolarHBondContact CB-ND2 3.22Å; I230-I360 HydrophobicContact CD1-CD1 4.22Å | ||
| 231 | D | 97.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 31.4 Ų | 31.4 | 33% | 0.326 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -93.5 | 170 | 179.8 | 59.5 | 52 | 0 | 0 | 0 | 112.8 | G229 D233 M234 Y235 N353 | G229-D231 PolarHBondContact O-N 3.25Å; D231-D233 VanDerWaalsContact C-N 3.35Å; D231-D233 PolarHBondContact O-N 3Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D231-M234 PolarHBondContact O-N 2.85Å; D231-M234 VanDerWaalsContact OD1-CB 3.29Å; D231-M234 WeakPolarHBondContact OD1-CB 3.42Å; D231-M234 PolarHBondContact OD1-N 2.79Å; D231-Y235 WeakPolarHBondContact O-CB 3.47Å; D231-Y235 PolarHBondContact O-N 3.27Å; D231-N353 PolarHBondContact OD2-ND2 2.84Å |
| 232 | D | 98.1 | Very high | 98.4 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.214 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.5 | -45.7 | -178 | -73.7 | -8.3 | 0 | 0 | 0 | 114 | F236 L274 S275 G278 | D232-F236 WeakPolarHBondContact O-CB 3.24Å; D232-F236 PolarHBondContact O-N 3.18Å; D232-L274 VanDerWaalsContact OD1-CA 3.28Å; D232-L274 WeakPolarHBondContact OD1-CA 3.33Å; D232-S275 PolarHBondContact OD1-N 3.27Å; D232-S275 VanDerWaalsContact OD2-CB 3.28Å; D232-S275 WeakPolarHBondContact OD2-CB 3.42Å; D232-S275 PolarHBondContact OD2-OG 3.1Å; D232-G278 VanDerWaalsContact CG-CA 3.49Å; D232-G278 WeakPolarHBondContact OD1-CA 3.39Å |
| 233 | D | 98.1 | Very high | 98.4 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 62% | 0.615 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -74.6 | -42.9 | -172.9 | -82.2 | -30.6 | 0 | 0 | 0 | 111.1 | D231 S237 R281 | D231-D233 VanDerWaalsContact C-N 3.35Å; D231-D233 PolarHBondContact O-N 3Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D233-S237 VanDerWaalsContact O-CB 3.31Å; D233-S237 WeakPolarHBondContact O-CB 3.42Å; D233-S237 PolarHBondContact O-N 3.19Å; D233-R281 IonicContact OD1-NH1 3.44Å; D233-R281 PolarHBondContact OD1-NH1 3.22Å |
| 234 | M | 98.4 | Very high | 98.4 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 16% | 0.163 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -45.3 | 177.2 | -168.1 | 172.9 | -64.9 | 0 | 0 | 111.2 | I230 D231 S237 V238 N355 I360 | I230-M234 HydrophobicContact CD1-CB 4.41Å; I230-M234 HydrophobicContact CD1-CG 4.19Å; I230-M234 HydrophobicContact CG1-CB 4.02Å; I230-M234 HydrophobicContact CG1-CG 4.18Å; I230-M234 HydrophobicContact CG1-SD 4.44Å; D231-M234 PolarHBondContact O-N 2.85Å; D231-M234 VanDerWaalsContact OD1-CB 3.29Å; D231-M234 WeakPolarHBondContact OD1-CB 3.42Å; D231-M234 PolarHBondContact OD1-N 2.79Å; M234-S237 PolarHBondContact O-N 2.87Å; M234-S237 PolarHBondContact O-OG 3.4Å; M234-V238 PolarHBondContact O-N 3.18Å; M234-N355 WeakPolarHBondContact CE-O 3.42Å; M234-N355 HydrophobicContact SD-CB 3.51Å; M234-N355 VanDerWaalsContact SD-CB 3.51Å; M234-I360 HydrophobicContact CG-CD1 4.38Å; M234-I360 HydrophobicContact CG-CG1 3.85Å; M234-I360 HydrophobicContact SD-CD1 4.38Å; M234-I360 HydrophobicContact SD-CG1 3.68Å |
| 235 | Y | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 176.2 | -173 | -87.9 | 0 | 0 | 0 | 111.2 | I172 F195 L226 I230 D231 S237 V238 F239 F272 L274 C282 | I172-Y235 WeakPolarHBondContact CB-OH 3.08Å; I172-Y235 WeakPolarHBondContact CG2-OH 3.4Å; F195-Y235 HydrophobicContact CB-CE2 3.97Å; F195-Y235 VanDerWaalsContact CB-OH 3.28Å; F195-Y235 WeakPolarHBondContact CB-OH 3.28Å; L226-Y235 HydrophobicContact CD1-CD2 3.68Å; L226-Y235 HydrophobicContact CD1-CE2 3.65Å; I230-Y235 HydrophobicContact CD1-CD2 4.18Å; I230-Y235 HydrophobicContact CG2-CD2 3.88Å; D231-Y235 WeakPolarHBondContact O-CB 3.47Å; D231-Y235 PolarHBondContact O-N 3.27Å; Y235-S237 VanDerWaalsContact C-N 3.26Å; Y235-S237 PolarHBondContact O-N 3.03Å; Y235-V238 WeakPolarHBondContact O-CG1 3.25Å; Y235-V238 PolarHBondContact O-N 3.43Å; Y235-F239 HydrophobicContact CD1-CB 4.41Å; Y235-F239 HydrophobicContact CE1-CB 4.36Å; Y235-F239 HydrophobicContact CE1-CD2 4.3Å; Y235-F239 VanDerWaalsContact O-CB 3.24Å; Y235-F239 WeakPolarHBondContact O-CB 3.45Å; Y235-F239 PolarHBondContact O-N 3.22Å; Y235-F272 HydrophobicContact CD2-CE2 4.46Å; Y235-F272 HydrophobicContact CE2-CD2 4.32Å; Y235-F272 HydrophobicContact CE2-CE2 4.02Å; Y235-L274 HydrophobicContact CD1-CD1 3.89Å; Y235-L274 HydrophobicContact CD1-CD2 4.27Å; Y235-L274 HydrophobicContact CD2-CD1 4.05Å; Y235-L274 HydrophobicContact CD2-CD2 4.17Å; Y235-L274 HydrophobicContact CE1-CD1 3.96Å; Y235-L274 HydrophobicContact CE2-CD1 4.12Å; Y235-L274 HydrophobicContact CG-CD1 3.94Å; Y235-L274 HydrophobicContact CG-CD2 3.76Å; Y235-L274 HydrophobicContact CG-CG 4.48Å; Y235-C282 VanDerWaalsContact CE1-SG 3.57Å |
| 236 | F | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -30.8 | 179.6 | -171.7 | -104.7 | 0 | 0 | 0 | 112.6 | D232 F239 R240 R281 M285 | D232-F236 WeakPolarHBondContact O-CB 3.24Å; D232-F236 PolarHBondContact O-N 3.18Å; F236-F239 HydrophobicContact CD2-CD1 4.32Å; F236-F239 HydrophobicContact CE2-CD1 4.34Å; F236-R240 HydrophobicContact CE1-CB 4.23Å; F236-R240 HydrophobicContact CZ-CB 4.31Å; F236-R240 WeakPolarHBondContact O-CB 3.46Å; F236-R240 PolarHBondContact O-N 2.89Å; F236-R281 HydrophobicContact CD1-CG 4.33Å; F236-R281 HydrophobicContact CD2-CB 4.15Å; F236-R281 HydrophobicContact CD2-CG 3.65Å; F236-R281 HydrophobicContact CE1-CG 4.22Å; F236-R281 HydrophobicContact CE2-CB 4.29Å; F236-R281 HydrophobicContact CE2-CG 3.56Å; F236-R281 WeakPolarHBondContact CE2-O 3.24Å; F236-R281 VanDerWaalsContact CG-CD 3.47Å; F236-R281 HydrophobicContact CG-CG 4.04Å; F236-R281 HydrophobicContact CZ-CG 3.84Å; F236-M285 HydrophobicContact CE2-CB 4.03Å; F236-M285 HydrophobicContact CE2-SD 4.14Å; F236-M285 HydrophobicContact CZ-CB 4.26Å; F236-M285 HydrophobicContact CZ-SD 4.19Å |
| 237 | S | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 37.4 Ų | 37.4 | 38% | 0.378 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 177 | 78 | 0 | 0 | 0 | 0 | 112.6 | D233 M234 Y235 A241 | D233-S237 VanDerWaalsContact O-CB 3.31Å; D233-S237 WeakPolarHBondContact O-CB 3.42Å; D233-S237 PolarHBondContact O-N 3.19Å; M234-S237 PolarHBondContact O-N 2.87Å; M234-S237 PolarHBondContact O-OG 3.4Å; Y235-S237 VanDerWaalsContact C-N 3.26Å; Y235-S237 PolarHBondContact O-N 3.03Å; S237-A241 PolarHBondContact O-N 3.42Å |
| 238 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74 | -44.5 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | V224 L226 M234 Y235 R240 A241 V242 I360 R364 | V224-V238 HydrophobicContact CG1-CG2 3.85Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; M234-V238 PolarHBondContact O-N 3.18Å; Y235-V238 WeakPolarHBondContact O-CG1 3.25Å; Y235-V238 PolarHBondContact O-N 3.43Å; V238-R240 VanDerWaalsContact C-N 3.33Å; V238-R240 PolarHBondContact O-N 3.29Å; V238-A241 PolarHBondContact O-N 3.06Å; V238-V242 HydrophobicContact CG2-CG2 4.11Å; V238-V242 WeakPolarHBondContact O-CB 3.39Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 3.18Å; V238-I360 HydrophobicContact CB-CG2 3.89Å; V238-I360 HydrophobicContact CG2-CG2 4.36Å; V238-R364 HydrophobicContact CB-CG 4.46Å; V238-R364 HydrophobicContact CG2-CG 3.89Å |
| 239 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53 | -51.9 | 176.1 | -178.4 | -93.1 | 0 | 0 | 0 | 111.1 | I170 I172 F195 Y235 F236 A241 V242 I243 C282 M285 V286 | I170-F239 HydrophobicContact CG2-CE2 3.87Å; I170-F239 HydrophobicContact CG2-CZ 4.22Å; I172-F239 HydrophobicContact CG2-CD2 4.04Å; I172-F239 HydrophobicContact CG2-CE2 3.49Å; I172-F239 VanDerWaalsContact CG2-CE2 3.49Å; I172-F239 HydrophobicContact CG2-CZ 4.36Å; F195-F239 HydrophobicContact CD1-CD2 4.4Å; F195-F239 AromaticContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CE2 4.14Å; F195-F239 HydrophobicContact CE1-CB 4.22Å; F195-F239 HydrophobicContact CE1-CD2 4.16Å; F195-F239 AromaticContact CE2-CD2 3.51Å; F195-F239 HydrophobicContact CE2-CD2 3.51Å; F195-F239 AromaticContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CG-CD2 4.24Å; F195-F239 HydrophobicContact CZ-CB 4.39Å; F195-F239 AromaticContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CE2 4.36Å; F195-F239 HydrophobicContact CZ-CG 4.34Å; Y235-F239 HydrophobicContact CD1-CB 4.41Å; Y235-F239 HydrophobicContact CE1-CB 4.36Å; Y235-F239 HydrophobicContact CE1-CD2 4.3Å; Y235-F239 VanDerWaalsContact O-CB 3.24Å; Y235-F239 WeakPolarHBondContact O-CB 3.45Å; Y235-F239 PolarHBondContact O-N 3.22Å; F236-F239 HydrophobicContact CD2-CD1 4.32Å; F236-F239 HydrophobicContact CE2-CD1 4.34Å; F239-A241 PolarHBondContact O-N 3.02Å; F239-V242 PolarHBondContact O-N 3.35Å; F239-I243 HydrophobicContact CD1-CG1 4.28Å; F239-I243 HydrophobicContact CD2-CG1 4.18Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 4.42Å; F239-I243 HydrophobicContact CE2-CG1 3.88Å; F239-I243 HydrophobicContact CG-CG1 4.37Å; F239-I243 HydrophobicContact CZ-CG1 3.79Å; F239-I243 WeakPolarHBondContact O-CB 3.42Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.29Å; F239-I243 PolarHBondContact O-N 3.05Å; F239-C282 HydrophobicContact CD1-CB 4.03Å; F239-C282 HydrophobicContact CD2-CB 4.4Å; F239-C282 HydrophobicContact CE1-CB 3.67Å; F239-C282 HydrophobicContact CE2-CB 4.09Å; F239-C282 HydrophobicContact CG-CB 4.38Å; F239-C282 HydrophobicContact CZ-CB 3.7Å; F239-M285 HydrophobicContact CD1-SD 3.9Å; F239-M285 HydrophobicContact CE1-CB 4.37Å; F239-M285 HydrophobicContact CE1-SD 3.91Å; F239-V286 HydrophobicContact CE1-CG2 4.14Å; F239-V286 HydrophobicContact CZ-CG2 3.7Å |
| 240 | R | 98.6 | Very high | 98.2 | Very high | 142 Ų | 142 | 36.1 Ų | 36.1 | 54% | 0.536 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | -178.5 | -179.7 | 176.8 | -175.9 | -167.1 | 2.5 | 112.9 | F236 V238 N244 M285 | F236-R240 HydrophobicContact CE1-CB 4.23Å; F236-R240 HydrophobicContact CZ-CB 4.31Å; F236-R240 WeakPolarHBondContact O-CB 3.46Å; F236-R240 PolarHBondContact O-N 2.89Å; V238-R240 VanDerWaalsContact C-N 3.33Å; V238-R240 PolarHBondContact O-N 3.29Å; R240-N244 WeakPolarHBondContact O-CB 3.35Å; R240-N244 PolarHBondContact O-N 2.95Å; R240-N244 PolarHBondContact O-ND2 3.23Å; R240-M285 VanDerWaalsContact CA-SD 3.51Å; R240-M285 HydrophobicContact CB-CE 4.21Å; R240-M285 HydrophobicContact CB-SD 3.71Å; R240-M285 HydrophobicContact CG-CE 3.88Å; R240-M285 HydrophobicContact CG-SD 3.72Å; R240-M285 WeakPolarHBondContact O-CE 3.44Å |
| 241 | A | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S237 V238 F239 N244 D245 R364 | S237-A241 PolarHBondContact O-N 3.42Å; V238-A241 PolarHBondContact O-N 3.06Å; F239-A241 PolarHBondContact O-N 3.02Å; A241-N244 PolarHBondContact O-N 2.75Å; A241-D245 PolarHBondContact O-N 2.83Å; A241-D245 VanDerWaalsContact O-N 3.15Å; A241-R364 HydrophobicContact CB-CG 4.39Å |
| 242 | V | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -49 | -178.1 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | V193 F195 V222 V224 V238 F239 N244 D245 V246 V367 | V193-V242 HydrophobicContact CG1-CG1 3.87Å; F195-V242 HydrophobicContact CE1-CB 4Å; F195-V242 HydrophobicContact CE1-CG1 4.18Å; F195-V242 HydrophobicContact CE1-CG2 4.27Å; F195-V242 HydrophobicContact CZ-CB 3.78Å; F195-V242 HydrophobicContact CZ-CG1 3.66Å; V222-V242 HydrophobicContact CG1-CG1 4.24Å; V224-V242 HydrophobicContact CG2-CG1 4.14Å; V224-V242 HydrophobicContact CG2-CG2 4.2Å; V238-V242 HydrophobicContact CG2-CG2 4.11Å; V238-V242 WeakPolarHBondContact O-CB 3.39Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 3.18Å; F239-V242 PolarHBondContact O-N 3.35Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 3.48Å; V242-D245 PolarHBondContact O-N 3.45Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CB 3.41Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 3.39Å; V242-V367 HydrophobicContact CG1-CG1 4Å; V242-V367 HydrophobicContact CG2-CB 4.41Å; V242-V367 HydrophobicContact CG2-CG1 4.1Å |
| 243 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | -178.4 | -65.9 | -54.1 | 0 | 0 | 0 | 112 | I170 V193 F195 F239 V246 V247 M285 L289 | I170-I243 HydrophobicContact CD1-CD1 3.75Å; I170-I243 HydrophobicContact CD1-CG1 4.47Å; I170-I243 HydrophobicContact CD1-CG2 4.38Å; I170-I243 HydrophobicContact CG1-CD1 3.93Å; I170-I243 HydrophobicContact CG2-CD1 4Å; V193-I243 HydrophobicContact CB-CD1 4.42Å; V193-I243 HydrophobicContact CG1-CD1 4.04Å; F195-I243 HydrophobicContact CE2-CD1 3.94Å; F195-I243 HydrophobicContact CE2-CG1 4.25Å; F195-I243 HydrophobicContact CZ-CD1 4.16Å; F195-I243 HydrophobicContact CZ-CG1 4.17Å; F239-I243 HydrophobicContact CD1-CG1 4.28Å; F239-I243 HydrophobicContact CD2-CG1 4.18Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 4.42Å; F239-I243 HydrophobicContact CE2-CG1 3.88Å; F239-I243 HydrophobicContact CG-CG1 4.37Å; F239-I243 HydrophobicContact CZ-CG1 3.79Å; F239-I243 WeakPolarHBondContact O-CB 3.42Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.29Å; F239-I243 PolarHBondContact O-N 3.05Å; I243-V246 PolarHBondContact O-N 3.38Å; I243-V247 HydrophobicContact CG2-CG2 4.24Å; I243-V247 WeakPolarHBondContact O-CB 3.36Å; I243-V247 VanDerWaalsContact O-CG2 3.24Å; I243-V247 WeakPolarHBondContact O-CG2 3.21Å; I243-V247 PolarHBondContact O-N 3.07Å; I243-M285 HydrophobicContact CB-CE 3.83Å; I243-M285 HydrophobicContact CG2-CE 3.8Å; I243-L289 HydrophobicContact CG2-CD1 4.12Å |
| 244 | N | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.8 | -78.2 | -31.7 | 0 | 0 | 0 | 112 | R240 A241 V242 V247 A248 M285 | R240-N244 WeakPolarHBondContact O-CB 3.35Å; R240-N244 PolarHBondContact O-N 2.95Å; R240-N244 PolarHBondContact O-ND2 3.23Å; A241-N244 PolarHBondContact O-N 2.75Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 3.48Å; N244-V247 PolarHBondContact O-N 3.42Å; N244-A248 VanDerWaalsContact O-CB 3.32Å; N244-A248 WeakPolarHBondContact O-CB 3.34Å; N244-A248 PolarHBondContact O-N 3.23Å; N244-M285 WeakPolarHBondContact OD1-CE 3.24Å |
| 245 | D | 97.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 24% | 0.235 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -48.6 | 177.9 | -74.9 | -9.2 | 0 | 0 | 0 | 110.7 | A241 V242 V247 A248 F249 H368 L371 | A241-D245 PolarHBondContact O-N 2.83Å; A241-D245 VanDerWaalsContact O-N 3.15Å; V242-D245 PolarHBondContact O-N 3.45Å; D245-V247 VanDerWaalsContact C-N 3.32Å; D245-V247 PolarHBondContact O-N 3.41Å; D245-A248 PolarHBondContact O-N 2.96Å; D245-A248 VanDerWaalsContact O-N 3.09Å; D245-F249 HydrophobicContact CB-CD2 4.42Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 PolarHBondContact O-N 3.16Å; D245-H368 IonicContact OD1-ND1 3.98Å; D245-H368 IonicContact OD2-CE1 2.61Å; D245-H368 IonicContact OD2-CG 3.69Å; D245-H368 IonicContact OD2-ND1 3.47Å; D245-H368 PolarHBondContact OD2-ND1 3.36Å; D245-L371 HydrophobicContact CB-CD1 3.67Å |
| 246 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.2 | -51.8 | 175.5 | 161.3 | 0 | 0 | 0 | 0 | 110.7 | L168 M191 V193 V242 I243 A248 F249 Y250 L371 | L168-V246 HydrophobicContact CD1-CG1 3.54Å; L168-V246 HydrophobicContact CD2-CG1 3.74Å; L168-V246 HydrophobicContact CG-CG1 4.31Å; M191-V246 HydrophobicContact SD-CB 4.45Å; M191-V246 HydrophobicContact SD-CG1 3.73Å; M191-V246 HydrophobicContact SD-CG2 4.28Å; V193-V246 HydrophobicContact CG2-CG1 3.98Å; V193-V246 HydrophobicContact CG2-CG2 3.85Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CB 3.41Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 3.39Å; I243-V246 PolarHBondContact O-N 3.38Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.47Å; V246-F249 PolarHBondContact O-N 3.28Å; V246-Y250 WeakPolarHBondContact O-CA 3.32Å; V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 3.3Å; V246-L371 HydrophobicContact CG2-CD1 3.93Å; V246-L371 HydrophobicContact CG2-CD2 4.28Å |
| 247 | V | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | -179.4 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L168 I243 N244 D245 R251 L289 | L168-V247 HydrophobicContact CD2-CG2 4.11Å; I243-V247 HydrophobicContact CG2-CG2 4.24Å; I243-V247 WeakPolarHBondContact O-CB 3.36Å; I243-V247 VanDerWaalsContact O-CG2 3.24Å; I243-V247 WeakPolarHBondContact O-CG2 3.21Å; I243-V247 PolarHBondContact O-N 3.07Å; N244-V247 PolarHBondContact O-N 3.42Å; D245-V247 VanDerWaalsContact C-N 3.32Å; D245-V247 PolarHBondContact O-N 3.41Å; V247-R251 VanDerWaalsContact O-CA 3.27Å; V247-R251 WeakPolarHBondContact O-CA 3.34Å; V247-R251 PolarHBondContact O-N 3.2Å; V247-L289 HydrophobicContact CG1-CD2 4.38Å; V247-L289 HydrophobicContact CG2-CD1 3.75Å; V247-L289 HydrophobicContact CG2-CD2 4.16Å |
| 248 | A | 96.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 50% | 0.504 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N244 D245 V246 | N244-A248 VanDerWaalsContact O-CB 3.32Å; N244-A248 WeakPolarHBondContact O-CB 3.34Å; N244-A248 PolarHBondContact O-N 3.23Å; D245-A248 PolarHBondContact O-N 2.96Å; D245-A248 VanDerWaalsContact O-N 3.09Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.47Å |
| 249 | F | 97.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 30.7 Ų | 30.7 | 28% | 0.276 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -79.8 | -49.1 | -179.9 | -75 | -77.6 | 0 | 0 | 0 | 112 | D245 V246 L371 K372 L374 | D245-F249 HydrophobicContact CB-CD2 4.42Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 PolarHBondContact O-N 3.16Å; V246-F249 PolarHBondContact O-N 3.28Å; F249-L371 HydrophobicContact CD2-CB 3.75Å; F249-L371 HydrophobicContact CD2-CD1 4.37Å; F249-L371 HydrophobicContact CE2-CB 4.16Å; F249-L371 HydrophobicContact CG-CB 4.14Å; F249-K372 HydrophobicContact CZ-CG 4.1Å; F249-L374 HydrophobicContact CB-CD1 4.24Å |
| 250 | Y | 98 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.9 | -32.2 | -172.6 | -171.3 | -125.7 | 0 | 0 | 0 | 113.7 | R166 L168 D188 R189 V190 M191 Y220 V246 P252 P378 | R166-Y250 HydrophobicContact CB-CE1 3.82Å; R166-Y250 HydrophobicContact CB-CE2 4.26Å; R166-Y250 WeakPolarHBondContact CD-O 3.37Å; R166-Y250 HydrophobicContact CG-CE1 4.46Å; R166-Y250 HydrophobicContact CG-CE2 4Å; R166-Y250 PolarHBondContact NE-O 3Å; L168-Y250 HydrophobicContact CB-CD1 4.38Å; L168-Y250 HydrophobicContact CB-CE1 4.44Å; D188-Y250 VanDerWaalsContact O-CE2 3.24Å; D188-Y250 WeakPolarHBondContact O-CE2 3.42Å; D188-Y250 PolarHBondContact O-OH 3.27Å; R189-Y250 PolarHBondContact O-OH 2.85Å; V190-Y250 WeakPolarHBondContact CA-OH 3.31Å; V190-Y250 PolarHBondContact N-OH 3.13Å; M191-Y250 HydrophobicContact CB-CD1 3.61Å; M191-Y250 HydrophobicContact CB-CD2 4.19Å; M191-Y250 HydrophobicContact CB-CE1 3.47Å; M191-Y250 VanDerWaalsContact CB-CE1 3.47Å; M191-Y250 HydrophobicContact CB-CE2 4.08Å; M191-Y250 HydrophobicContact CB-CG 3.97Å; M191-Y250 HydrophobicContact CE-CD1 4.48Å; M191-Y250 HydrophobicContact CE-CD2 3.58Å; M191-Y250 HydrophobicContact CE-CE2 4.32Å; M191-Y250 HydrophobicContact CE-CG 3.68Å; M191-Y250 HydrophobicContact CG-CD1 4.47Å; M191-Y250 PolarHBondContact N-OH 3.4Å; M191-Y250 HydrophobicContact SD-CD1 4.16Å; M191-Y250 HydrophobicContact SD-CD2 4.31Å; M191-Y250 HydrophobicContact SD-CG 3.82Å; Y220-Y250 AromaticContact CD1-CD2 3.92Å; Y220-Y250 HydrophobicContact CD1-CD2 3.92Å; Y220-Y250 AromaticContact CD1-CE2 3.57Å; Y220-Y250 HydrophobicContact CD1-CE2 3.57Å; Y220-Y250 AromaticContact CE1-CD2 3.64Å; Y220-Y250 HydrophobicContact CE1-CD2 3.64Å; Y220-Y250 AromaticContact CE1-CE2 3.43Å; Y220-Y250 HydrophobicContact CE1-CE2 3.43Å; Y220-Y250 VanDerWaalsContact CE1-CE2 3.43Å; V246-Y250 WeakPolarHBondContact O-CA 3.32Å; V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 3.3Å; Y250-P252 HydrophobicContact CD1-CB 4.03Å; Y250-P252 HydrophobicContact CD1-CG 4.42Å; Y250-P252 HydrophobicContact CE1-CB 4.22Å; Y250-P378 HydrophobicContact CE2-CG 3.97Å |
| 251 | R | 97.5 | Very high | 98.4 | Very high | 162 Ų | 162 | 24 Ų | 24 | 61% | 0.611 | 13% | 0.127 | S | C | * | . | trans | 51.5 | 58.1 | 179.7 | -54 | 177.5 | -176.3 | 176.4 | -0.2 | 112.6 | R166 V247 A377 | R166-R251 PolarHBondContact NE-O 3.29Å; R166-R251 PolarHBondContact NH2-O 3.03Å; V247-R251 VanDerWaalsContact O-CA 3.27Å; V247-R251 WeakPolarHBondContact O-CA 3.34Å; V247-R251 PolarHBondContact O-N 3.2Å; R251-A377 HydrophobicContact CB-CB 4.4Å | ||
| 252 | P | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | trans | -60.6 | 155.9 | -179.9 | 28.2 | -35.7 | 0 | 0 | 0 | 112 | L168 Y250 L291 | L168-P252 HydrophobicContact CB-CB 3.5Å; L168-P252 HydrophobicContact CB-CG 3.7Å; L168-P252 HydrophobicContact CD2-CG 3.86Å; L168-P252 HydrophobicContact CG-CG 4.43Å; Y250-P252 HydrophobicContact CD1-CB 4.03Å; Y250-P252 HydrophobicContact CD1-CG 4.42Å; Y250-P252 HydrophobicContact CE1-CB 4.22Å; P252-L291 HydrophobicContact CB-CD1 4.38Å; P252-L291 HydrophobicContact CG-CD1 3.81Å; P252-L291 WeakPolarHBondContact O-CD1 3.31Å | ||
| 253 | T | 98.2 | Very high | 98.3 | Very high | 40 Ų | 40 | 23.1 Ų | 23.1 | 25% | 0.245 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -102.3 | -13.7 | 173.7 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | N164 P165 R166 P292 | N164-T253 VanDerWaalsContact CB-OG1 3.25Å; N164-T253 WeakPolarHBondContact CB-OG1 3.15Å; N164-T253 PolarHBondContact OD1-OG1 2.95Å; P165-T253 WeakPolarHBondContact CD-OG1 3.21Å; P165-T253 HydrophobicContact CG-CG2 3.8Å; R166-T253 PolarHBondContact O-N 2.84Å; R166-T253 PolarHBondContact O-OG1 2.98Å; T253-P292 WeakPolarHBondContact O-CD 3.44Å |
| 254 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 157.8 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L160 N164 V167 L168 P292 | L160-T254 HydrophobicContact CB-CG2 4.19Å; L160-T254 HydrophobicContact CD1-CG2 4.13Å; L160-T254 HydrophobicContact CD2-CG2 4.24Å; L160-T254 HydrophobicContact CG-CG2 4.42Å; N164-T254 HydrophobicContact CB-CG2 3.8Å; N164-T254 VanDerWaalsContact CG-CG2 3.41Å; V167-T254 HydrophobicContact CB-CG2 4.24Å; V167-T254 HydrophobicContact CG1-CG2 4.1Å; V167-T254 HydrophobicContact CG2-CG2 3.73Å; L168-T254 PolarHBondContact N-O 2.57Å; T254-P292 WeakPolarHBondContact CA-O 3.25Å; T254-P292 PolarHBondContact OG1-O 2.84Å |
| 255 | I | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.3 | -179.8 | -60.1 | 177.4 | 0 | 0 | 0 | 109.6 | L168 I170 V286 L289 L291 P292 L293 L294 | L168-I255 HydrophobicContact CB-CG1 4.25Å; L168-I255 HydrophobicContact CD2-CD1 4.31Å; L168-I255 HydrophobicContact CD2-CG1 4.3Å; L168-I255 CarbonylContact O-C 3.59Å; L168-I255 VanDerWaalsContact O-CA 3.24Å; L168-I255 WeakPolarHBondContact O-CA 3.42Å; I170-I255 HydrophobicContact CD1-CG2 3.87Å; I170-I255 HydrophobicContact CG1-CG2 4.19Å; I255-V286 HydrophobicContact CD1-CG1 4.01Å; I255-V286 HydrophobicContact CG2-CG1 3.9Å; I255-L289 HydrophobicContact CD1-CB 4.43Å; I255-L289 HydrophobicContact CD1-CD1 3.48Å; I255-L289 VanDerWaalsContact CD1-CD1 3.48Å; I255-L291 HydrophobicContact CD1-CB 4.41Å; I255-L291 HydrophobicContact CD1-CD1 3.98Å; I255-L291 HydrophobicContact CG1-CB 4.41Å; I255-L291 HydrophobicContact CG1-CD1 4.06Å; I255-P292 PolarHBondContact N-O 3.03Å; I255-L293 HydrophobicContact CB-CD1 3.8Å; I255-L293 HydrophobicContact CG2-CD1 3.71Å; I255-L293 WeakPolarHBondContact O-CA 3.16Å; I255-L294 PolarHBondContact O-N 2.97Å |
| 256 | V | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.1 | 160.6 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | I153 L160 V167 L168 Y169 I170 L294 | I153-V256 HydrophobicContact CG2-CG1 4.19Å; L160-V256 HydrophobicContact CD1-CG2 3.46Å; L160-V256 VanDerWaalsContact CD1-CG2 3.46Å; V167-V256 HydrophobicContact CG1-CG2 4.03Å; L168-V256 PolarHBondContact O-N 3.01Å; Y169-V256 CarbonylContact C-O 3.58Å; Y169-V256 WeakPolarHBondContact CA-O 3.24Å; Y169-V256 HydrophobicContact CD2-CB 4.11Å; Y169-V256 HydrophobicContact CD2-CG1 4.08Å; Y169-V256 HydrophobicContact CE2-CG1 4.44Å; I170-V256 PolarHBondContact N-O 3.31Å; V256-L294 CarbonylContact C-O 3.58Å; V256-L294 WeakPolarHBondContact CA-O 3.17Å; V256-L294 HydrophobicContact CG1-CB 4.44Å; V256-L294 HydrophobicContact CG1-CD2 4.14Å; V256-L294 HydrophobicContact CG1-CG 4.2Å; V256-L294 HydrophobicContact CG2-CB 4.25Å; V256-L294 HydrophobicContact CG2-CD2 4.18Å |
| 257 | L | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 111.3 | 178.4 | 178.4 | 64.3 | 0 | 0 | 0 | 108.9 | I170 V283 V286 L293 L294 V295 V296 | I170-L257 HydrophobicContact CB-CD1 3.78Å; I170-L257 HydrophobicContact CG2-CD1 3.71Å; I170-L257 WeakPolarHBondContact O-CA 3.36Å; L257-V283 HydrophobicContact CD2-CB 4.34Å; L257-V283 HydrophobicContact CD2-CG1 4.24Å; L257-V283 HydrophobicContact CD2-CG2 4.07Å; L257-V286 HydrophobicContact CD1-CG2 4.29Å; L257-V286 HydrophobicContact CD2-CB 4.11Å; L257-V286 HydrophobicContact CD2-CG1 4.11Å; L257-V286 HydrophobicContact CD2-CG2 4.37Å; L257-L293 HydrophobicContact CB-CD1 3.9Å; L257-L294 PolarHBondContact N-O 3.13Å; L257-V295 WeakPolarHBondContact O-CA 3.42Å; L257-V296 PolarHBondContact O-N 2.91Å |
| 258 | Q | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126 | 170.3 | -170.4 | -77.9 | 7.5 | 0 | 0 | 107.9 | I153 Y169 I170 D171 I172 D173 V296 G297 | I153-Q258 HydrophobicContact CD1-CB 4.35Å; I153-Q258 HydrophobicContact CD1-CG 3.95Å; Y169-Q258 HydrophobicContact CE2-CB 3.8Å; Y169-Q258 WeakPolarHBondContact OH-CB 3.47Å; I170-Q258 PolarHBondContact O-N 3.2Å; D171-Q258 HydrophobicContact CB-CB 4.5Å; D171-Q258 PolarHBondContact OD1-OE1 2.67Å; I172-Q258 VanDerWaalsContact CG1-O 3.24Å; I172-Q258 WeakPolarHBondContact CG1-O 3.48Å; I172-Q258 PolarHBondContact N-O 3.4Å; D173-Q258 PolarHBondContact OD2-NE2 2.89Å; Q258-V296 HydrophobicContact CB-CG2 3.96Å; Q258-V296 HydrophobicContact CG-CG2 4.12Å; Q258-G297 WeakPolarHBondContact CG-O 3.45Å |
| 259 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -115.8 | 52 | -174.7 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | W132 A261 V296 G297 W310 | W132-C259 HydrophobicContact CZ3-CB 3.9Å; C259-A261 PolarHBondContact O-N 3.17Å; C259-V296 WeakPolarHBondContact CB-O 3.33Å; C259-V296 PolarHBondContact N-O 2.78Å; C259-G297 CarbonylContact C-O 3.21Å; C259-G297 PolarHBondContact N-O 2.9Å; C259-W310 PolarHBondContact O-NE1 3.15Å | ||
| 260 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -53.2 | 119.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D173 D262 S263 H279 | D173-G260 WeakPolarHBondContact OD2-CA 3.34Å; G260-D262 VanDerWaalsContact C-N 3.31Å; G260-D262 PolarHBondContact O-N 3.29Å; G260-S263 PolarHBondContact O-OG 2.9Å; G260-H279 PolarHBondContact O-NE2 2.89Å; G260-H279 VanDerWaalsContact O-NE2 3.07Å | ||
| 261 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -91.4 | 10.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | C259 S263 L264 G299 V306 C309 | C259-A261 PolarHBondContact O-N 3.17Å; A261-S263 VanDerWaalsContact C-N 3.31Å; A261-L264 HydrophobicContact CB-CD1 4.07Å; A261-L264 WeakPolarHBondContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CD1 3.28Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.18Å; A261-G299 PolarHBondContact N-O 3.19Å; A261-V306 HydrophobicContact CB-CB 4.36Å; A261-V306 HydrophobicContact CB-CG1 4.19Å; A261-V306 HydrophobicContact CB-CG2 4.12Å; A261-C309 HydrophobicContact CB-CB 4.3Å |
| 262 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -81.8 | -6.9 | 172.4 | 49.6 | 12.1 | 0 | 0 | 0 | 113.4 | D173 V174 H175 G260 L264 D267 G270 G299 Y301 | D173-D262 VanDerWaalsContact OD1-OD1 3.07Å; V174-D262 HydrophobicContact CG1-CB 3.86Å; V174-D262 VanDerWaalsContact CG1-CG 3.43Å; V174-D262 WeakPolarHBondContact CG1-OD1 3.35Å; V174-D262 PolarHBondContact N-OD1 3.24Å; V174-D262 VanDerWaalsContact N-OD1 3.15Å; H175-D262 IonicContact CE1-OD2 3.72Å; H175-D262 PolarHBondContact CE1-OD2 3.05Å; H175-D262 IonicContact ND1-OD2 3.87Å; H175-D262 PolarHBondContact ND1-OD2 3.04Å; G260-D262 VanDerWaalsContact C-N 3.31Å; G260-D262 PolarHBondContact O-N 3.29Å; D262-L264 PolarHBondContact O-N 3.44Å; D262-D267 HydrophobicContact CB-CB 4.36Å; D262-D267 WeakPolarHBondContact CB-OD2 3.49Å; D262-G270 VanDerWaalsContact O-CA 3.29Å; D262-G270 WeakPolarHBondContact O-CA 3.27Å; D262-G299 WeakPolarHBondContact OD2-CA 3.3Å; D262-Y301 HydrophobicContact CB-CD2 4Å; D262-Y301 HydrophobicContact CB-CE2 3.89Å; D262-Y301 VanDerWaalsContact OD2-CE2 3.23Å; D262-Y301 WeakPolarHBondContact OD2-CE2 3.41Å |
| 263 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -71 | -10.4 | 164.3 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | I172 G260 A261 F272 L274 H279 | I172-S263 WeakPolarHBondContact O-CB 3.39Å; I172-S263 PolarHBondContact O-OG 3.19Å; G260-S263 PolarHBondContact O-OG 2.9Å; A261-S263 VanDerWaalsContact C-N 3.31Å; S263-F272 WeakPolarHBondContact O-CB 3.48Å; S263-L274 VanDerWaalsContact O-CB 3.32Å; S263-L274 WeakPolarHBondContact O-CB 3.36Å; S263-L274 WeakPolarHBondContact O-CG 3.27Å; S263-L274 PolarHBondContact O-N 3.27Å; S263-H279 PolarHBondContact OG-CD2 3.02Å; S263-H279 PolarHBondContact OG-NE2 3.25Å |
| 264 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 146.6 | 175.9 | -63 | 176.8 | 0 | 0 | 0 | 112.2 | A261 D262 D267 L274 I276 H279 N305 C309 L347 | A261-L264 HydrophobicContact CB-CD1 4.07Å; A261-L264 WeakPolarHBondContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CD1 3.28Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.18Å; D262-L264 PolarHBondContact O-N 3.44Å; L264-D267 WeakPolarHBondContact O-CB 3.44Å; L264-D267 PolarHBondContact O-N 3.4Å; L264-L274 CarbonylContact C-O 3.54Å; L264-L274 WeakPolarHBondContact CA-O 3.27Å; L264-L274 HydrophobicContact CD2-CB 4.45Å; L264-I276 HydrophobicContact CD1-CG1 4.12Å; L264-I276 HydrophobicContact CD2-CG1 4.18Å; L264-H279 HydrophobicContact CD2-CB 3.9Å; L264-N305 HydrophobicContact CD1-CB 4.27Å; L264-C309 HydrophobicContact CD1-CB 3.76Å; L264-L347 HydrophobicContact CB-CD1 4.2Å; L264-L347 HydrophobicContact CD1-CD1 4.44Å; L264-L347 HydrophobicContact CD2-CD1 4.44Å |
| 265 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 146.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D267 F272 L274 L347 | G265-D267 PolarHBondContact O-N 2.82Å; G265-F272 WeakPolarHBondContact CA-O 3.36Å; G265-L274 PolarHBondContact N-O 2.9Å; G265-L347 WeakPolarHBondContact CA-O 3.3Å |
| 266 | C | 96.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 19.4 Ų | 19.4 | 44% | 0.439 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 19.6 | -175.6 | -58.7 | 0 | 0 | 0 | 0 | 114.8 | T302 T349 | C266-T302 PolarHBondContact O-OG1 3.4Å; C266-T349 VanDerWaalsContact N-CG2 3.34Å |
| 267 | D | 97.9 | Very high | 98.1 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | trans | -66.6 | 156.4 | 162.3 | -170.5 | 68.9 | 0 | 0 | 0 | 111.2 | D262 L264 G265 L269 G270 Y301 T302 | D262-D267 HydrophobicContact CB-CB 4.36Å; D262-D267 WeakPolarHBondContact CB-OD2 3.49Å; L264-D267 WeakPolarHBondContact O-CB 3.44Å; L264-D267 PolarHBondContact O-N 3.4Å; G265-D267 PolarHBondContact O-N 2.82Å; D267-L269 PolarHBondContact OD2-N 3.05Å; D267-G270 PolarHBondContact OD2-N 3.29Å; D267-Y301 PolarHBondContact OD1-N 2.93Å; D267-Y301 WeakPolarHBondContact OD2-CD2 3.19Å; D267-T302 PolarHBondContact OD1-N 2.83Å | ||
| 268 | R | 96.5 | Very high | 98.1 | Very high | 143 Ų | 143 | 25.2 Ų | 25.2 | 54% | 0.54 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -79.6 | -29.2 | -177.8 | -65.9 | 175.2 | 62 | -163.9 | -3.7 | 113.6 | Y301 | R268-Y301 VanDerWaalsContact CD-O 3.24Å; R268-Y301 WeakPolarHBondContact CD-O 3.4Å |
| 269 | L | 96.9 | Very high | 98.1 | Very high | 63 Ų | 63 | 25.2 Ų | 25.2 | 33% | 0.33 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -119.2 | -21.3 | -176.1 | -56.6 | -174.9 | 0 | 0 | 0 | 112.4 | P25 F147 D267 Y301 | P25-L269 HydrophobicContact CB-CD1 3.99Å; P25-L269 HydrophobicContact CB-CG 4.46Å; P25-L269 HydrophobicContact CG-CD1 3.85Å; F147-L269 HydrophobicContact CE2-CD1 3.67Å; F147-L269 HydrophobicContact CZ-CD1 3.86Å; D267-L269 PolarHBondContact OD2-N 3.05Å; L269-Y301 HydrophobicContact CB-CD2 3.64Å; L269-Y301 HydrophobicContact CB-CE2 3.91Å; L269-Y301 HydrophobicContact CB-CG 4.49Å; L269-Y301 HydrophobicContact CD1-CD1 4.23Å; L269-Y301 HydrophobicContact CD1-CD2 3.62Å; L269-Y301 HydrophobicContact CD1-CE1 4.26Å; L269-Y301 HydrophobicContact CD1-CE2 3.66Å; L269-Y301 HydrophobicContact CD1-CG 3.91Å; L269-Y301 HydrophobicContact CG-CD2 3.67Å; L269-Y301 HydrophobicContact CG-CE2 4.12Å; L269-Y301 HydrophobicContact CG-CG 4.06Å |
| 270 | G | 97.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | trans | -80.2 | 156.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D262 D267 | D262-G270 VanDerWaalsContact O-CA 3.29Å; D262-G270 WeakPolarHBondContact O-CA 3.27Å; D267-G270 PolarHBondContact OD2-N 3.29Å | ||
| 271 | V | 97.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 22% | 0.224 | 14% | 0.142 | C | C | . | . | trans | -132.2 | 21 | -176.3 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | R197 F202 E228 G229 L351 | R197-V271 HydrophobicContact CB-CG2 4.26Å; R197-V271 HydrophobicContact CG-CG2 3.66Å; F202-V271 HydrophobicContact CE2-CG1 4.46Å; F202-V271 HydrophobicContact CE2-CG2 4.09Å; F202-V271 HydrophobicContact CZ-CG2 4.43Å; E228-V271 CarbonylContact C-O 3.57Å; E228-V271 WeakPolarHBondContact CA-O 3.4Å; E228-V271 HydrophobicContact CB-CB 4Å; E228-V271 HydrophobicContact CB-CG2 3.81Å; G229-V271 PolarHBondContact N-O 3.18Å; V271-L351 HydrophobicContact CB-CD1 4.19Å | ||
| 272 | F | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | trans | -93.1 | 168.2 | 171.3 | -73.7 | -2.8 | 0 | 0 | 0 | 110.8 | V174 R197 L226 K227 I230 Y235 S263 G265 L274 | V174-F272 HydrophobicContact CB-CD2 4.45Å; V174-F272 HydrophobicContact CG2-CD1 4.04Å; V174-F272 HydrophobicContact CG2-CD2 3.9Å; V174-F272 HydrophobicContact CG2-CE1 4.13Å; V174-F272 HydrophobicContact CG2-CE2 3.97Å; V174-F272 HydrophobicContact CG2-CG 3.91Å; V174-F272 HydrophobicContact CG2-CZ 4.07Å; R197-F272 HydrophobicContact CB-CD1 4.42Å; R197-F272 HydrophobicContact CB-CE1 3.55Å; R197-F272 HydrophobicContact CB-CZ 3.82Å; R197-F272 HydrophobicContact CG-CE1 3.96Å; L226-F272 HydrophobicContact CB-CE1 4.11Å; L226-F272 HydrophobicContact CB-CZ 3.72Å; L226-F272 HydrophobicContact CD1-CE2 4.11Å; L226-F272 HydrophobicContact CD1-CZ 3.95Å; L226-F272 HydrophobicContact CG-CZ 4.45Å; K227-F272 WeakPolarHBondContact O-CE1 3.33Å; I230-F272 HydrophobicContact CG2-CB 4.08Å; I230-F272 HydrophobicContact CG2-CD1 3.67Å; I230-F272 HydrophobicContact CG2-CD2 3.79Å; I230-F272 HydrophobicContact CG2-CE1 3.99Å; I230-F272 HydrophobicContact CG2-CE2 4.14Å; I230-F272 HydrophobicContact CG2-CG 3.57Å; I230-F272 HydrophobicContact CG2-CZ 4.23Å; Y235-F272 HydrophobicContact CD2-CE2 4.46Å; Y235-F272 HydrophobicContact CE2-CD2 4.32Å; Y235-F272 HydrophobicContact CE2-CE2 4.02Å; S263-F272 WeakPolarHBondContact O-CB 3.48Å; G265-F272 WeakPolarHBondContact CA-O 3.36Å; F272-L274 HydrophobicContact CB-CG 4.45Å | ||
| 273 | N | 97.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -117.2 | 35.2 | -179.2 | -75.9 | -27.4 | 0 | 0 | 0 | 111.6 | G229 I230 T349 L351 | G229-N273 WeakPolarHBondContact CA-ND2 3.41Å; G229-N273 PolarHBondContact O-ND2 2.84Å; I230-N273 CarbonylContact O-C 3.55Å; I230-N273 WeakPolarHBondContact O-CA 3.41Å; I230-N273 WeakPolarHBondContact O-CB 3.36Å; I230-N273 PolarHBondContact O-N 3.04Å; N273-T349 WeakPolarHBondContact OD1-CB 3.28Å; N273-T349 VanDerWaalsContact OD1-CG2 3.24Å; N273-T349 WeakPolarHBondContact OD1-CG2 3.39Å; N273-T349 PolarHBondContact OD1-OG1 3.11Å; N273-L351 PolarHBondContact ND2-O 2.98Å |
| 274 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 138 | 179.2 | -54.6 | -170.7 | 0 | 0 | 0 | 111 | I230 D232 Y235 S263 L264 G265 F272 | I230-L274 HydrophobicContact CG2-CD2 4.48Å; D232-L274 VanDerWaalsContact OD1-CA 3.28Å; D232-L274 WeakPolarHBondContact OD1-CA 3.33Å; Y235-L274 HydrophobicContact CD1-CD1 3.89Å; Y235-L274 HydrophobicContact CD1-CD2 4.27Å; Y235-L274 HydrophobicContact CD2-CD1 4.05Å; Y235-L274 HydrophobicContact CD2-CD2 4.17Å; Y235-L274 HydrophobicContact CE1-CD1 3.96Å; Y235-L274 HydrophobicContact CE2-CD1 4.12Å; Y235-L274 HydrophobicContact CG-CD1 3.94Å; Y235-L274 HydrophobicContact CG-CD2 3.76Å; Y235-L274 HydrophobicContact CG-CG 4.48Å; S263-L274 VanDerWaalsContact O-CB 3.32Å; S263-L274 WeakPolarHBondContact O-CB 3.36Å; S263-L274 WeakPolarHBondContact O-CG 3.27Å; S263-L274 PolarHBondContact O-N 3.27Å; L264-L274 CarbonylContact C-O 3.54Å; L264-L274 WeakPolarHBondContact CA-O 3.27Å; L264-L274 HydrophobicContact CD2-CB 4.45Å; G265-L274 PolarHBondContact N-O 2.9Å; F272-L274 HydrophobicContact CB-CG 4.45Å |
| 275 | S | 98.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | trans | -83.1 | 163.3 | 164.6 | 83.3 | 0 | 0 | 0 | 0 | 110.1 | D232 R277 G278 H279 | D232-S275 PolarHBondContact OD1-N 3.27Å; D232-S275 VanDerWaalsContact OD2-CB 3.28Å; D232-S275 WeakPolarHBondContact OD2-CB 3.42Å; D232-S275 PolarHBondContact OD2-OG 3.1Å; S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 PolarHBondContact OG-N 2.99Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S275-G278 PolarHBondContact OG-N 2.92Å; S275-H279 PolarHBondContact O-N 3.22Å | ||
| 276 | I | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.6 | -33.3 | 171.8 | -69.9 | 165.8 | 0 | 0 | 0 | 111.4 | L264 G280 R308 C309 Y312 L343 L347 | L264-I276 HydrophobicContact CD1-CG1 4.12Å; L264-I276 HydrophobicContact CD2-CG1 4.18Å; I276-G280 PolarHBondContact O-N 3.11Å; I276-R308 HydrophobicContact CD1-CB 3.49Å; I276-R308 VanDerWaalsContact CD1-CB 3.49Å; I276-R308 HydrophobicContact CD1-CG 4.48Å; I276-C309 HydrophobicContact CG1-CB 4.1Å; I276-Y312 HydrophobicContact CG2-CD1 3.55Å; I276-Y312 HydrophobicContact CG2-CE1 4.44Å; I276-Y312 HydrophobicContact CG2-CG 3.8Å; I276-Y312 WeakPolarHBondContact O-CD1 3.26Å; I276-L343 WeakPolarHBondContact CD1-O 3.38Å; I276-L347 HydrophobicContact CD1-CD1 4.33Å; I276-L347 HydrophobicContact CG1-CD1 4.08Å |
| 277 | R | 98.4 | Very high | 98.2 | Very high | 120 Ų | 120 | 30.5 Ų | 30.5 | 45% | 0.453 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 176.7 | -65.7 | -171.7 | -176.9 | -77.7 | 3.5 | 111.6 | S275 R281 H344 | S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 PolarHBondContact OG-N 2.99Å; R277-R281 WeakPolarHBondContact O-CB 3.3Å; R277-R281 PolarHBondContact O-N 3.48Å; R277-H344 VanDerWaalsContact CZ-NE2 3.35Å; R277-H344 PolarHBondContact NH1-NE2 3.36Å; R277-H344 PolarHBondContact NH2-CD2 3.1Å; R277-H344 PolarHBondContact NH2-NE2 3.11Å |
| 278 | G | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D232 S275 R281 C282 | D232-G278 VanDerWaalsContact CG-CA 3.49Å; D232-G278 WeakPolarHBondContact OD1-CA 3.39Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S275-G278 PolarHBondContact OG-N 2.92Å; G278-R281 VanDerWaalsContact O-CB 3.25Å; G278-R281 WeakPolarHBondContact O-CB 3.46Å; G278-R281 PolarHBondContact O-N 3.33Å; G278-C282 PolarHBondContact O-N 2.66Å |
| 279 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -52.6 | 175.3 | -156.8 | -92.9 | 0 | 0 | 0 | 111.3 | I172 G260 S263 L264 S275 R281 C282 V283 E313 | I172-H279 WeakPolarHBondContact CD1-CE1 3.26Å; I172-H279 WeakPolarHBondContact CD1-NE2 3.32Å; G260-H279 PolarHBondContact O-NE2 2.89Å; G260-H279 VanDerWaalsContact O-NE2 3.07Å; S263-H279 PolarHBondContact OG-CD2 3.02Å; S263-H279 PolarHBondContact OG-NE2 3.25Å; L264-H279 HydrophobicContact CD2-CB 3.9Å; S275-H279 PolarHBondContact O-N 3.22Å; H279-R281 PolarHBondContact O-N 2.92Å; H279-R281 VanDerWaalsContact O-N 3.13Å; H279-C282 VanDerWaalsContact O-CB 3.29Å; H279-C282 WeakPolarHBondContact O-CB 3.45Å; H279-C282 PolarHBondContact O-N 3.19Å; H279-V283 PolarHBondContact O-N 2.83Å; H279-E313 IonicContact CE1-OE1 2.69Å; H279-E313 PolarHBondContact CE1-OE1 3.03Å; H279-E313 IonicContact CG-OE1 2.67Å; H279-E313 IonicContact ND1-OE1 2.72Å; H279-E313 PolarHBondContact ND1-OE1 2.96Å |
| 280 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -20.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I276 C282 V283 R284 | I276-G280 PolarHBondContact O-N 3.11Å; G280-C282 VanDerWaalsContact C-N 3.3Å; G280-V283 PolarHBondContact O-N 2.81Å; G280-R284 WeakPolarHBondContact O-CB 3.34Å; G280-R284 PolarHBondContact O-N 3.02Å |
| 281 | R | 98.7 | Very high | 98.4 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 32% | 0.321 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.9 | -34.3 | 172.1 | -165.9 | -174.3 | -178.8 | 176.6 | 0.2 | 111.8 | D233 F236 R277 G278 H279 M285 | D233-R281 IonicContact OD1-NH1 3.44Å; D233-R281 PolarHBondContact OD1-NH1 3.22Å; F236-R281 HydrophobicContact CD1-CG 4.33Å; F236-R281 HydrophobicContact CD2-CB 4.15Å; F236-R281 HydrophobicContact CD2-CG 3.65Å; F236-R281 HydrophobicContact CE1-CG 4.22Å; F236-R281 HydrophobicContact CE2-CB 4.29Å; F236-R281 HydrophobicContact CE2-CG 3.56Å; F236-R281 WeakPolarHBondContact CE2-O 3.24Å; F236-R281 VanDerWaalsContact CG-CD 3.47Å; F236-R281 HydrophobicContact CG-CG 4.04Å; F236-R281 HydrophobicContact CZ-CG 3.84Å; R277-R281 WeakPolarHBondContact O-CB 3.3Å; R277-R281 PolarHBondContact O-N 3.48Å; G278-R281 VanDerWaalsContact O-CB 3.25Å; G278-R281 WeakPolarHBondContact O-CB 3.46Å; G278-R281 PolarHBondContact O-N 3.33Å; H279-R281 PolarHBondContact O-N 2.92Å; H279-R281 VanDerWaalsContact O-N 3.13Å; R281-M285 PolarHBondContact O-N 3.35Å; R281-M285 VanDerWaalsContact O-N 3.16Å |
| 282 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -46.3 | 174.2 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | I172 Y235 F239 G278 H279 G280 R284 M285 V286 | I172-C282 HydrophobicContact CD1-CB 4.17Å; Y235-C282 VanDerWaalsContact CE1-SG 3.57Å; F239-C282 HydrophobicContact CD1-CB 4.03Å; F239-C282 HydrophobicContact CD2-CB 4.4Å; F239-C282 HydrophobicContact CE1-CB 3.67Å; F239-C282 HydrophobicContact CE2-CB 4.09Å; F239-C282 HydrophobicContact CG-CB 4.38Å; F239-C282 HydrophobicContact CZ-CB 3.7Å; G278-C282 PolarHBondContact O-N 2.66Å; H279-C282 VanDerWaalsContact O-CB 3.29Å; H279-C282 WeakPolarHBondContact O-CB 3.45Å; H279-C282 PolarHBondContact O-N 3.19Å; G280-C282 VanDerWaalsContact C-N 3.3Å; C282-R284 VanDerWaalsContact C-N 3.34Å; C282-R284 PolarHBondContact O-N 3.16Å; C282-M285 PolarHBondContact O-N 3.14Å; C282-V286 WeakPolarHBondContact O-CG2 3.29Å; C282-V286 PolarHBondContact O-N 3.32Å |
| 283 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | I172 L257 H279 G280 M285 V286 K287 E313 V316 L317 | I172-V283 HydrophobicContact CD1-CG2 4.47Å; L257-V283 HydrophobicContact CD2-CB 4.34Å; L257-V283 HydrophobicContact CD2-CG1 4.24Å; L257-V283 HydrophobicContact CD2-CG2 4.07Å; H279-V283 PolarHBondContact O-N 2.83Å; G280-V283 PolarHBondContact O-N 2.81Å; V283-M285 PolarHBondContact O-N 2.88Å; V283-V286 PolarHBondContact O-N 3.21Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 2.81Å; V283-E313 HydrophobicContact CB-CG 4.5Å; V283-E313 HydrophobicContact CG2-CB 4.47Å; V283-E313 HydrophobicContact CG2-CG 3.89Å; V283-E313 WeakPolarHBondContact CG2-OE1 3.15Å; V283-V316 HydrophobicContact CB-CG1 4.48Å; V283-V316 HydrophobicContact CG1-CG1 4.29Å; V283-L317 HydrophobicContact CG1-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD2 3.71Å; V283-L317 HydrophobicContact CG1-CG 3.9Å |
| 284 | R | 98.7 | Very high | 98.5 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 177.1 | -170.3 | -171.3 | -55.4 | 100.3 | 8.5 | 111.7 | G280 C282 V286 K287 E288 Y312 V316 E321 | G280-R284 WeakPolarHBondContact O-CB 3.34Å; G280-R284 PolarHBondContact O-N 3.02Å; C282-R284 VanDerWaalsContact C-N 3.34Å; C282-R284 PolarHBondContact O-N 3.16Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 2.98Å; R284-K287 WeakPolarHBondContact O-CB 3.33Å; R284-K287 PolarHBondContact O-N 2.99Å; R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.36Å; R284-E288 PolarHBondContact O-N 2.85Å; R284-Y312 PolarHBondContact NH2-OH 3.1Å; R284-V316 HydrophobicContact CB-CG1 3.64Å; R284-V316 HydrophobicContact CG-CG1 4.2Å; R284-E321 IonicContact CZ-OE1 3.84Å; R284-E321 IonicContact CZ-OE2 3.48Å; R284-E321 IonicContact NE-OE1 3.95Å; R284-E321 PolarHBondContact NE-OE1 3.2Å; R284-E321 IonicContact NE-OE2 3.93Å; R284-E321 PolarHBondContact NE-OE2 3.11Å; R284-E321 VanDerWaalsContact NH2-CD 3.32Å; R284-E321 IonicContact NH2-OE1 3.73Å; R284-E321 PolarHBondContact NH2-OE1 2.85Å; R284-E321 IonicContact NH2-OE2 2.83Å; R284-E321 PolarHBondContact NH2-OE2 3.49Å |
| 285 | M | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.069 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 179.9 | 176.5 | -177.1 | 167.2 | 0 | 0 | 111.6 | F236 F239 R240 I243 N244 R281 C282 V283 E288 L289 | F236-M285 HydrophobicContact CE2-CB 4.03Å; F236-M285 HydrophobicContact CE2-SD 4.14Å; F236-M285 HydrophobicContact CZ-CB 4.26Å; F236-M285 HydrophobicContact CZ-SD 4.19Å; F239-M285 HydrophobicContact CD1-SD 3.9Å; F239-M285 HydrophobicContact CE1-CB 4.37Å; F239-M285 HydrophobicContact CE1-SD 3.91Å; R240-M285 VanDerWaalsContact CA-SD 3.51Å; R240-M285 HydrophobicContact CB-CE 4.21Å; R240-M285 HydrophobicContact CB-SD 3.71Å; R240-M285 HydrophobicContact CG-CE 3.88Å; R240-M285 HydrophobicContact CG-SD 3.72Å; R240-M285 WeakPolarHBondContact O-CE 3.44Å; I243-M285 HydrophobicContact CB-CE 3.83Å; I243-M285 HydrophobicContact CG2-CE 3.8Å; N244-M285 WeakPolarHBondContact OD1-CE 3.24Å; R281-M285 PolarHBondContact O-N 3.35Å; R281-M285 VanDerWaalsContact O-N 3.16Å; C282-M285 PolarHBondContact O-N 3.14Å; V283-M285 PolarHBondContact O-N 2.88Å; M285-E288 PolarHBondContact O-N 2.79Å; M285-L289 PolarHBondContact O-N 3.44Å |
| 286 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I170 F239 I255 L257 C282 V283 R284 E288 L289 L293 | I170-V286 HydrophobicContact CD1-CG1 4.1Å; I170-V286 HydrophobicContact CD1-CG2 3.71Å; F239-V286 HydrophobicContact CE1-CG2 4.14Å; F239-V286 HydrophobicContact CZ-CG2 3.7Å; I255-V286 HydrophobicContact CD1-CG1 4.01Å; I255-V286 HydrophobicContact CG2-CG1 3.9Å; L257-V286 HydrophobicContact CD1-CG2 4.29Å; L257-V286 HydrophobicContact CD2-CB 4.11Å; L257-V286 HydrophobicContact CD2-CG1 4.11Å; L257-V286 HydrophobicContact CD2-CG2 4.37Å; C282-V286 WeakPolarHBondContact O-CG2 3.29Å; C282-V286 PolarHBondContact O-N 3.32Å; V283-V286 PolarHBondContact O-N 3.21Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 2.98Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3Å; V286-L289 VanDerWaalsContact O-CB 3.25Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.5Å; V286-L289 PolarHBondContact O-N 3.28Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; V286-L293 HydrophobicContact CG1-CD2 4.39Å |
| 287 | K | 98.3 | Very high | 98.6 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 174.3 | -174.3 | -157.9 | 178.3 | -171.3 | 0 | 112.2 | I128 V283 R284 L289 G290 L293 V316 L317 D319 | I128-K287 HydrophobicContact CD1-CD 4.48Å; I128-K287 HydrophobicContact CD1-CG 3.95Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 2.81Å; R284-K287 WeakPolarHBondContact O-CB 3.33Å; R284-K287 PolarHBondContact O-N 2.99Å; K287-L289 PolarHBondContact O-N 2.91Å; K287-G290 PolarHBondContact O-N 2.93Å; K287-L293 HydrophobicContact CB-CD2 4.46Å; K287-V316 PolarHBondContact NZ-O 3.39Å; K287-L317 HydrophobicContact CB-CD2 4.43Å; K287-L317 WeakPolarHBondContact CE-O 3.48Å; K287-L317 HydrophobicContact CG-CD2 4.4Å; K287-L317 PolarHBondContact NZ-O 3.09Å; K287-L317 VanDerWaalsContact NZ-O 3.12Å; K287-D319 IonicContact NZ-OD1 3.09Å; K287-D319 PolarHBondContact NZ-OD1 2.85Å; K287-D319 IonicContact NZ-OD2 2.61Å; K287-D319 PolarHBondContact NZ-OD2 3.35Å |
| 288 | E | 97.8 | Very high | 98.6 | Very high | 142 Ų | 142 | 24.1 Ų | 24.1 | 66% | 0.664 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -65.2 | -17.2 | 179.3 | -76 | 171.8 | 177 | 0 | 0 | 113.7 | R284 M285 V286 G290 | R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.36Å; R284-E288 PolarHBondContact O-N 2.85Å; M285-E288 PolarHBondContact O-N 2.79Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3Å; E288-G290 PolarHBondContact O-N 3.27Å |
| 289 | L | 98.1 | Very high | 98.5 | Very high | 47 Ų | 47 | 24.1 Ų | 24.1 | 25% | 0.246 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.8 | 170.1 | -59.1 | 173.2 | 0 | 0 | 0 | 112.2 | I243 V247 I255 M285 V286 K287 L291 | I243-L289 HydrophobicContact CG2-CD1 4.12Å; V247-L289 HydrophobicContact CG1-CD2 4.38Å; V247-L289 HydrophobicContact CG2-CD1 3.75Å; V247-L289 HydrophobicContact CG2-CD2 4.16Å; I255-L289 HydrophobicContact CD1-CB 4.43Å; I255-L289 HydrophobicContact CD1-CD1 3.48Å; I255-L289 VanDerWaalsContact CD1-CD1 3.48Å; M285-L289 PolarHBondContact O-N 3.44Å; V286-L289 VanDerWaalsContact O-CB 3.25Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.5Å; V286-L289 PolarHBondContact O-N 3.28Å; K287-L289 PolarHBondContact O-N 2.91Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 3.48Å |
| 290 | G | 97 | Very high | 98.5 | Very high | 37 Ų | 37 | 24.2 Ų | 24.2 | 38% | 0.381 | 13% | 0.126 | S | C | . | . | trans | 76.4 | 5.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K5 K287 E288 | K5-G290 PolarHBondContact NZ-O 3.28Å; K287-G290 PolarHBondContact O-N 2.93Å; E288-G290 PolarHBondContact O-N 3.27Å | ||
| 291 | L | 98.2 | Very high | 98.5 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -79.3 | 155.6 | 177.2 | -63.1 | 177.8 | 0 | 0 | 0 | 112 | P252 I255 L289 L293 | P252-L291 HydrophobicContact CB-CD1 4.38Å; P252-L291 HydrophobicContact CG-CD1 3.81Å; P252-L291 WeakPolarHBondContact O-CD1 3.31Å; I255-L291 HydrophobicContact CD1-CB 4.41Å; I255-L291 HydrophobicContact CD1-CD1 3.98Å; I255-L291 HydrophobicContact CG1-CB 4.41Å; I255-L291 HydrophobicContact CG1-CD1 4.06Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 3.48Å; L291-L293 PolarHBondContact O-N 3.15Å |
| 292 | P | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 21.5 Ų | 21.5 | 30% | 0.299 | 12% | 0.117 | S | C | . | . | trans | -52.2 | 124.5 | 167.6 | -23.8 | 32.8 | 0 | 0 | 0 | 110.7 | L121 D127 T253 T254 I255 | L121-P292 HydrophobicContact CD2-CB 4.04Å; D127-P292 WeakPolarHBondContact O-CA 3.24Å; T253-P292 WeakPolarHBondContact O-CD 3.44Å; T254-P292 WeakPolarHBondContact CA-O 3.25Å; T254-P292 PolarHBondContact OG1-O 2.84Å; I255-P292 PolarHBondContact N-O 3.03Å | ||
| 293 | L | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.9 | -167.3 | 179.3 | 63.2 | 0 | 0 | 0 | 111.4 | D127 I128 A129 I255 L257 V286 K287 L291 V295 L317 | D127-L293 PolarHBondContact O-N 2.83Å; I128-L293 CarbonylContact C-O 3.57Å; I128-L293 VanDerWaalsContact CA-O 3.3Å; I128-L293 WeakPolarHBondContact CA-O 3.35Å; I128-L293 HydrophobicContact CG1-CB 4.35Å; A129-L293 PolarHBondContact N-O 2.61Å; I255-L293 HydrophobicContact CB-CD1 3.8Å; I255-L293 HydrophobicContact CG2-CD1 3.71Å; I255-L293 WeakPolarHBondContact O-CA 3.16Å; L257-L293 HydrophobicContact CB-CD1 3.9Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; V286-L293 HydrophobicContact CG1-CD2 4.39Å; K287-L293 HydrophobicContact CB-CD2 4.46Å; L291-L293 PolarHBondContact O-N 3.15Å; L293-V295 HydrophobicContact CD1-CG2 4.3Å; L293-V295 HydrophobicContact CD2-CG2 3.73Å; L293-V295 HydrophobicContact CG-CG2 3.67Å; L293-L317 HydrophobicContact CD2-CD2 3.94Å |
| 294 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.6 | 163.5 | 173.6 | 54.9 | 0 | 0 | 0 | 108.3 | A117 L121 A129 A156 I255 V256 L257 V296 | A117-L294 HydrophobicContact CB-CD1 3.52Å; L121-L294 HydrophobicContact CD1-CB 3.73Å; A129-L294 HydrophobicContact CB-CD1 4.37Å; A129-L294 CarbonylContact O-C 3.52Å; A129-L294 WeakPolarHBondContact O-CA 3.28Å; A156-L294 HydrophobicContact CB-CD2 3.82Å; I255-L294 PolarHBondContact O-N 2.97Å; V256-L294 CarbonylContact C-O 3.58Å; V256-L294 WeakPolarHBondContact CA-O 3.17Å; V256-L294 HydrophobicContact CG1-CB 4.44Å; V256-L294 HydrophobicContact CG1-CD2 4.14Å; V256-L294 HydrophobicContact CG1-CG 4.2Å; V256-L294 HydrophobicContact CG2-CB 4.25Å; V256-L294 HydrophobicContact CG2-CD2 4.18Å; L257-L294 PolarHBondContact N-O 3.13Å; L294-V296 HydrophobicContact CD1-CG1 4.05Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.98Å |
| 295 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.2 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | I128 A129 I130 N131 W132 L257 L293 L317 | I128-V295 HydrophobicContact CG2-CG2 4.39Å; A129-V295 PolarHBondContact O-N 3.29Å; I130-V295 CarbonylContact C-O 3.54Å; I130-V295 WeakPolarHBondContact CA-O 3.46Å; N131-V295 PolarHBondContact N-O 3.27Å; W132-V295 HydrophobicContact CH2-CG1 3.69Å; W132-V295 HydrophobicContact CZ3-CG1 3.72Å; L257-V295 WeakPolarHBondContact O-CA 3.42Å; L293-V295 HydrophobicContact CD1-CG2 4.3Å; L293-V295 HydrophobicContact CD2-CG2 3.73Å; L293-V295 HydrophobicContact CG-CG2 3.67Å; V295-L317 HydrophobicContact CB-CD1 4.19Å; V295-L317 HydrophobicContact CG1-CD1 4.18Å; V295-L317 HydrophobicContact CG2-CD1 3.8Å; V295-L317 HydrophobicContact CG2-CD2 3.92Å |
| 296 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 163.3 | 176.3 | -61 | 0 | 0 | 0 | 0 | 110.6 | N131 G135 I153 L257 Q258 C259 L294 | N131-V296 VanDerWaalsContact O-CA 3.27Å; N131-V296 WeakPolarHBondContact O-CA 3.35Å; G135-V296 VanDerWaalsContact CA-CG2 3.49Å; I153-V296 HydrophobicContact CD1-CG2 4.23Å; I153-V296 HydrophobicContact CG1-CG2 4.04Å; L257-V296 PolarHBondContact O-N 2.91Å; Q258-V296 HydrophobicContact CB-CG2 3.96Å; Q258-V296 HydrophobicContact CG-CG2 4.12Å; C259-V296 WeakPolarHBondContact CB-O 3.33Å; C259-V296 PolarHBondContact N-O 2.78Å; L294-V296 HydrophobicContact CD1-CG1 4.05Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.98Å |
| 297 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -70.3 | -134.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N131 G134 Q258 C259 W310 | N131-G297 PolarHBondContact O-N 2.96Å; N131-G297 VanDerWaalsContact O-N 3.14Å; G134-G297 CarbonylContact O-C 3.6Å; G134-G297 VanDerWaalsContact O-C 3.29Å; G134-G297 VanDerWaalsContact O-CA 3.31Å; G134-G297 WeakPolarHBondContact O-CA 3.47Å; G134-G297 PolarHBondContact O-N 3.44Å; Q258-G297 WeakPolarHBondContact CG-O 3.45Å; C259-G297 CarbonylContact C-O 3.21Å; C259-G297 PolarHBondContact N-O 2.9Å; G297-W310 VanDerWaalsContact CA-CZ2 3.46Å | ||
| 298 | G | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | trans | 152.8 | -151.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R30 G134 | R30-G298 VanDerWaalsContact CZ-O 3.32Å; R30-G298 PolarHBondContact NH1-O 3.03Å; R30-G298 PolarHBondContact NH2-O 2.9Å; G134-G298 PolarHBondContact O-N 3.08Å | ||
| 299 | G | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | trans | -62.7 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R30 D173 A261 D262 | R30-G299 VanDerWaalsContact NH1-C 3.29Å; R30-G299 PolarHBondContact NH1-O 3.21Å; D173-G299 WeakPolarHBondContact OD2-CA 3.23Å; D173-G299 PolarHBondContact OD2-N 3.3Å; A261-G299 PolarHBondContact N-O 3.19Å; D262-G299 WeakPolarHBondContact OD2-CA 3.3Å | ||
| 300 | G | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | trans | 129.2 | 112.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R30 V306 | R30-G300 PolarHBondContact NH1-O 2.77Å; G300-V306 VanDerWaalsContact C-CG2 3.46Å; G300-V306 WeakPolarHBondContact O-CG2 3.48Å | ||
| 301 | Y | 98.2 | Very high | 98.4 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | trans | -123 | -6.5 | -164.1 | -51.6 | -69.7 | 0 | 0 | 0 | 112.9 | P25 M26 F147 D262 D267 R268 L269 V303 | P25-Y301 HydrophobicContact CB-CD1 3.91Å; P25-Y301 HydrophobicContact CB-CG 4.21Å; P25-Y301 HydrophobicContact CG-CD1 4.5Å; M26-Y301 HydrophobicContact CE-CE1 3.89Å; F147-Y301 AromaticContact CD2-CE1 3.48Å; F147-Y301 HydrophobicContact CD2-CE1 3.48Å; F147-Y301 VanDerWaalsContact CD2-CE1 3.48Å; F147-Y301 AromaticContact CD2-CZ 3.74Å; F147-Y301 WeakPolarHBondContact CD2-OH 3.44Å; F147-Y301 HydrophobicContact CE2-CD1 4.24Å; F147-Y301 AromaticContact CE2-CE1 3.41Å; F147-Y301 HydrophobicContact CE2-CE1 3.41Å; F147-Y301 VanDerWaalsContact CE2-CE1 3.41Å; F147-Y301 AromaticContact CE2-CZ 3.57Å; D262-Y301 HydrophobicContact CB-CD2 4Å; D262-Y301 HydrophobicContact CB-CE2 3.89Å; D262-Y301 VanDerWaalsContact OD2-CE2 3.23Å; D262-Y301 WeakPolarHBondContact OD2-CE2 3.41Å; D267-Y301 PolarHBondContact OD1-N 2.93Å; D267-Y301 WeakPolarHBondContact OD2-CD2 3.19Å; R268-Y301 VanDerWaalsContact CD-O 3.24Å; R268-Y301 WeakPolarHBondContact CD-O 3.4Å; L269-Y301 HydrophobicContact CB-CD2 3.64Å; L269-Y301 HydrophobicContact CB-CE2 3.91Å; L269-Y301 HydrophobicContact CB-CG 4.49Å; L269-Y301 HydrophobicContact CD1-CD1 4.23Å; L269-Y301 HydrophobicContact CD1-CD2 3.62Å; L269-Y301 HydrophobicContact CD1-CE1 4.26Å; L269-Y301 HydrophobicContact CD1-CE2 3.66Å; L269-Y301 HydrophobicContact CD1-CG 3.91Å; L269-Y301 HydrophobicContact CG-CD2 3.67Å; L269-Y301 HydrophobicContact CG-CE2 4.12Å; L269-Y301 HydrophobicContact CG-CG 4.06Å; Y301-V303 PolarHBondContact O-N 3.25Å | ||
| 302 | T | 97.7 | Very high | 98.5 | Very high | 18 Ų | 18 | 10.8 Ų | 10.8 | 11% | 0.11 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -92.2 | 85.8 | 161.3 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | C266 D267 R304 N305 V306 | C266-T302 PolarHBondContact O-OG1 3.4Å; D267-T302 PolarHBondContact OD1-N 2.83Å; T302-R304 VanDerWaalsContact C-N 3.29Å; T302-R304 HydrophobicContact CG2-CG 4.06Å; T302-R304 PolarHBondContact O-N 3.28Å; T302-N305 HydrophobicContact CG2-CB 4.04Å; T302-N305 WeakPolarHBondContact CG2-ND2 3.5Å; T302-N305 PolarHBondContact O-N 2.55Å; T302-V306 PolarHBondContact O-N 2.62Å; T302-V306 VanDerWaalsContact O-N 3.15Å |
| 303 | V | 97.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 8.6 Ų | 8.6 | 19% | 0.188 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -39.4 | -49.9 | -171 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | K27 R30 L33 Y301 N305 V306 A307 | K27-V303 HydrophobicContact CB-CG2 3.77Å; K27-V303 HydrophobicContact CG-CG2 4.09Å; R30-V303 HydrophobicContact CB-CB 4.43Å; R30-V303 HydrophobicContact CB-CG1 3.71Å; L33-V303 HydrophobicContact CD1-CG1 3.63Å; Y301-V303 PolarHBondContact O-N 3.25Å; V303-N305 PolarHBondContact O-N 3.25Å; V303-V306 PolarHBondContact O-N 3.06Å; V303-A307 PolarHBondContact O-N 2.88Å; V303-A307 VanDerWaalsContact O-N 3.11Å |
| 304 | R | 97.4 | Very high | 98.5 | Very high | 98 Ų | 98 | 8.5 Ų | 8.5 | 37% | 0.37 | 4% | 0.04 | S | C | . | . | H | α-helix | trans | -64 | -36.3 | -179.4 | 63.1 | -176.8 | 178.8 | -140 | -5.1 | 113.5 | T302 R308 F336 F337 Y338 | T302-R304 VanDerWaalsContact C-N 3.29Å; T302-R304 HydrophobicContact CG2-CG 4.06Å; T302-R304 PolarHBondContact O-N 3.28Å; R304-R308 VanDerWaalsContact O-CG 3.3Å; R304-R308 WeakPolarHBondContact O-CG 3.5Å; R304-R308 PolarHBondContact O-N 2.9Å; R304-R308 VanDerWaalsContact O-N 3.11Å; R304-F336 WeakPolarHBondContact CB-O 3.14Å; R304-F337 HydrophobicContact CB-CD1 3.95Å; R304-F337 HydrophobicContact CB-CE1 4.2Å; R304-Y338 PolarHBondContact NH1-O 2.82Å |
| 305 | N | 98.2 | Very high | 98.5 | Very high | 6 Ų | 6 | 8.5 Ų | 8.5 | 3% | 0.032 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -76.2 | -36.4 | -179.8 | -70.2 | -9 | 0 | 0 | 0 | 111 | L264 T302 V303 A307 R308 C309 L347 | L264-N305 HydrophobicContact CD1-CB 4.27Å; T302-N305 HydrophobicContact CG2-CB 4.04Å; T302-N305 WeakPolarHBondContact CG2-ND2 3.5Å; T302-N305 PolarHBondContact O-N 2.55Å; V303-N305 PolarHBondContact O-N 3.25Å; N305-A307 VanDerWaalsContact C-N 3.34Å; N305-A307 PolarHBondContact O-N 2.74Å; N305-R308 PolarHBondContact O-N 3.16Å; N305-R308 PolarHBondContact OD1-NH1 3.45Å; N305-C309 VanDerWaalsContact O-CB 3.29Å; N305-C309 WeakPolarHBondContact O-CB 3.49Å; N305-C309 PolarHBondContact O-N 3.02Å; N305-L347 WeakPolarHBondContact ND2-CD2 3.34Å |
| 306 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57 | -50.1 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | R30 A261 G300 T302 V303 R308 C309 W310 | R30-V306 HydrophobicContact CB-CB 4.41Å; R30-V306 HydrophobicContact CB-CG1 4.37Å; R30-V306 HydrophobicContact CG-CG1 4.3Å; A261-V306 HydrophobicContact CB-CB 4.36Å; A261-V306 HydrophobicContact CB-CG1 4.19Å; A261-V306 HydrophobicContact CB-CG2 4.12Å; G300-V306 VanDerWaalsContact C-CG2 3.46Å; G300-V306 WeakPolarHBondContact O-CG2 3.48Å; T302-V306 PolarHBondContact O-N 2.62Å; T302-V306 VanDerWaalsContact O-N 3.15Å; V303-V306 PolarHBondContact O-N 3.06Å; V306-R308 PolarHBondContact O-N 3.18Å; V306-C309 PolarHBondContact O-N 2.89Å; V306-C309 VanDerWaalsContact O-N 3.16Å; V306-W310 HydrophobicContact CG1-CD2 3.64Å; V306-W310 HydrophobicContact CG1-CE3 3.51Å; V306-W310 HydrophobicContact CG1-CG 4.45Å; V306-W310 HydrophobicContact CG1-CH2 3.66Å; V306-W310 HydrophobicContact CG1-CZ2 3.75Å; V306-W310 HydrophobicContact CG1-CZ3 3.52Å; V306-W310 PolarHBondContact O-N 3.41Å |
| 307 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L33 T34 L37 V303 N305 A311 F337 | L33-A307 HydrophobicContact CB-CB 3.65Å; T34-A307 WeakPolarHBondContact OG1-CA 3.47Å; L37-A307 HydrophobicContact CD1-CB 4.14Å; V303-A307 PolarHBondContact O-N 2.88Å; V303-A307 VanDerWaalsContact O-N 3.11Å; N305-A307 VanDerWaalsContact C-N 3.34Å; N305-A307 PolarHBondContact O-N 2.74Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.37Å; A307-F337 HydrophobicContact CB-CE1 4.06Å; A307-F337 HydrophobicContact CB-CZ 4.08Å |
| 308 | R | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.7 | -69.7 | 171.2 | 178 | 123.5 | 3.9 | 111.8 | L37 I276 R304 N305 V306 Y312 L328 F337 D340 T342 L343 | L37-R308 HydrophobicContact CD1-CG 4.47Å; I276-R308 HydrophobicContact CD1-CB 3.49Å; I276-R308 VanDerWaalsContact CD1-CB 3.49Å; I276-R308 HydrophobicContact CD1-CG 4.48Å; R304-R308 VanDerWaalsContact O-CG 3.3Å; R304-R308 WeakPolarHBondContact O-CG 3.5Å; R304-R308 PolarHBondContact O-N 2.9Å; R304-R308 VanDerWaalsContact O-N 3.11Å; N305-R308 PolarHBondContact O-N 3.16Å; N305-R308 PolarHBondContact OD1-NH1 3.45Å; V306-R308 PolarHBondContact O-N 3.18Å; R308-Y312 WeakPolarHBondContact O-CB 3.45Å; R308-Y312 PolarHBondContact O-N 3Å; R308-L328 HydrophobicContact CG-CD2 4.5Å; R308-F337 HydrophobicContact CG-CD1 4.13Å; R308-F337 HydrophobicContact CG-CE1 4.05Å; R308-F337 PolarHBondContact NH2-O 3.35Å; R308-D340 PolarHBondContact NH2-O 3.5Å; R308-T342 WeakPolarHBondContact CD-O 3.48Å; R308-T342 PolarHBondContact NE-O 2.65Å; R308-L343 HydrophobicContact CB-CD1 4.14Å; R308-L343 WeakPolarHBondContact O-CD1 3.39Å |
| 309 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.5 | -56.2 | -178.2 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | A261 L264 I276 N305 V306 A311 Y312 E313 | A261-C309 HydrophobicContact CB-CB 4.3Å; L264-C309 HydrophobicContact CD1-CB 3.76Å; I276-C309 HydrophobicContact CG1-CB 4.1Å; N305-C309 VanDerWaalsContact O-CB 3.29Å; N305-C309 WeakPolarHBondContact O-CB 3.49Å; N305-C309 PolarHBondContact O-N 3.02Å; V306-C309 PolarHBondContact O-N 2.89Å; V306-C309 VanDerWaalsContact O-N 3.16Å; C309-A311 VanDerWaalsContact C-N 3.3Å; C309-A311 PolarHBondContact O-N 2.66Å; C309-Y312 WeakPolarHBondContact O-CB 3.48Å; C309-Y312 PolarHBondContact O-N 3.33Å; C309-Y312 VanDerWaalsContact O-N 3.11Å; C309-E313 WeakPolarHBondContact O-CG 3.42Å; C309-E313 PolarHBondContact O-N 2.88Å |
| 310 | W | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.9 | -30.1 | -178.5 | -67.3 | -16.2 | 0 | 0 | 0 | 112.9 | R30 L31 T34 W132 C259 G297 V306 T314 | R30-W310 HydrophobicContact CG-CZ3 4.38Å; L31-W310 HydrophobicContact CD2-CE3 4.44Å; L31-W310 HydrophobicContact CD2-CH2 4.47Å; L31-W310 HydrophobicContact CD2-CZ3 3.65Å; T34-W310 HydrophobicContact CG2-CB 3.55Å; T34-W310 HydrophobicContact CG2-CE3 4.2Å; W132-W310 HydrophobicContact CB-CD2 4.23Å; W132-W310 HydrophobicContact CB-CE3 3.74Å; W132-W310 HydrophobicContact CB-CZ3 4.09Å; W132-W310 HydrophobicContact CD2-CB 3.73Å; W132-W310 HydrophobicContact CD2-CD2 4.08Å; W132-W310 HydrophobicContact CD2-CE3 4.45Å; W132-W310 AromaticContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CE3-CB 3.94Å; W132-W310 AromaticContact CE3-CD1 3.59Å; W132-W310 AromaticContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CE3 4.45Å; W132-W310 AromaticContact CE3-CG 3.51Å; W132-W310 HydrophobicContact CE3-CG 3.51Å; W132-W310 AromaticContact CE3-NE1 3.89Å; W132-W310 HydrophobicContact CG-CB 4.16Å; W132-W310 HydrophobicContact CG-CD2 4.3Å; W132-W310 HydrophobicContact CG-CE3 4.19Å; W132-W310 HydrophobicContact CG-CG 4.33Å; W132-W310 HydrophobicContact CH2-CB 4.38Å; W132-W310 HydrophobicContact CH2-CG 4.42Å; W132-W310 HydrophobicContact CZ2-CB 4.18Å; W132-W310 WeakPolarHBondContact CZ2-O 3.44Å; W132-W310 HydrophobicContact CZ3-CB 4.25Å; W132-W310 AromaticContact CZ3-CD1 3.52Å; W132-W310 HydrophobicContact CZ3-CD2 4.47Å; W132-W310 AromaticContact CZ3-CG 3.86Å; W132-W310 HydrophobicContact CZ3-CG 3.86Å; W132-W310 AromaticContact CZ3-NE1 3.98Å; W132-W310 WeakPolarHBondContact O-CH2 3.49Å; W132-W310 WeakPolarHBondContact O-CZ3 3.4Å; C259-W310 PolarHBondContact O-NE1 3.15Å; G297-W310 VanDerWaalsContact CA-CZ2 3.46Å; V306-W310 HydrophobicContact CG1-CD2 3.64Å; V306-W310 HydrophobicContact CG1-CE3 3.51Å; V306-W310 HydrophobicContact CG1-CG 4.45Å; V306-W310 HydrophobicContact CG1-CH2 3.66Å; V306-W310 HydrophobicContact CG1-CZ2 3.75Å; V306-W310 HydrophobicContact CG1-CZ3 3.52Å; V306-W310 PolarHBondContact O-N 3.41Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.39Å; W310-T314 PolarHBondContact O-OG1 3.09Å |
| 311 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | L37 V38 L43 A307 C309 T314 A315 | L37-A311 HydrophobicContact CB-CB 3.64Å; L37-A311 HydrophobicContact CD1-CB 4.04Å; V38-A311 HydrophobicContact CG2-CB 4.28Å; L43-A311 WeakPolarHBondContact CD1-O 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.37Å; C309-A311 VanDerWaalsContact C-N 3.3Å; C309-A311 PolarHBondContact O-N 2.66Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.02Å; A311-A315 PolarHBondContact O-N 2.83Å; A311-A315 VanDerWaalsContact O-N 3.14Å |
| 312 | Y | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 175 | 177.3 | -114.4 | 0 | 0 | 0 | 111.7 | I276 R284 R308 C309 T314 A315 V316 E321 I324 L343 H344 | I276-Y312 HydrophobicContact CG2-CD1 3.55Å; I276-Y312 HydrophobicContact CG2-CE1 4.44Å; I276-Y312 HydrophobicContact CG2-CG 3.8Å; I276-Y312 WeakPolarHBondContact O-CD1 3.26Å; R284-Y312 PolarHBondContact NH2-OH 3.1Å; R308-Y312 WeakPolarHBondContact O-CB 3.45Å; R308-Y312 PolarHBondContact O-N 3Å; C309-Y312 WeakPolarHBondContact O-CB 3.48Å; C309-Y312 PolarHBondContact O-N 3.33Å; C309-Y312 VanDerWaalsContact O-N 3.11Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.02Å; Y312-A315 CarbonylContact O-C 3.32Å; Y312-A315 WeakPolarHBondContact O-CA 3.23Å; Y312-A315 VanDerWaalsContact O-CB 3.24Å; Y312-A315 WeakPolarHBondContact O-CB 3.49Å; Y312-A315 PolarHBondContact O-N 2.89Å; Y312-V316 HydrophobicContact CD1-CG2 4.15Å; Y312-V316 HydrophobicContact CE1-CG2 3.83Å; Y312-V316 HydrophobicContact CE2-CG2 4.44Å; Y312-V316 WeakPolarHBondContact O-CG2 3.34Å; Y312-V316 PolarHBondContact O-N 2.87Å; Y312-E321 HydrophobicContact CE2-CB 4.03Å; Y312-I324 HydrophobicContact CD2-CG2 4.38Å; Y312-L343 HydrophobicContact CD2-CD2 4Å; Y312-H344 AromaticContact CD1-CE1 3.84Å; Y312-H344 AromaticContact CD2-CE1 3.37Å; Y312-H344 WeakPolarHBondContact CD2-CE1 3.48Å; Y312-H344 AromaticContact CD2-NE2 3.55Å; Y312-H344 AromaticContact CE1-CE1 3.95Å; Y312-H344 AromaticContact CE2-CE1 3.52Å; Y312-H344 AromaticContact CE2-NE2 3.57Å; Y312-H344 AromaticContact CG-CE1 3.54Å; Y312-H344 AromaticContact CZ-CE1 3.81Å |
| 313 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 177.7 | -70.3 | -179.5 | 154.1 | 0 | 0 | 112.8 | W132 H279 V283 C309 A315 V316 L317 | W132-E313 HydrophobicContact CH2-CB 3.75Å; W132-E313 WeakPolarHBondContact CH2-OE2 3.19Å; W132-E313 HydrophobicContact CZ2-CB 4.12Å; H279-E313 IonicContact CE1-OE1 2.69Å; H279-E313 PolarHBondContact CE1-OE1 3.03Å; H279-E313 IonicContact CG-OE1 2.67Å; H279-E313 IonicContact ND1-OE1 2.72Å; H279-E313 PolarHBondContact ND1-OE1 2.96Å; V283-E313 HydrophobicContact CB-CG 4.5Å; V283-E313 HydrophobicContact CG2-CB 4.47Å; V283-E313 HydrophobicContact CG2-CG 3.89Å; V283-E313 WeakPolarHBondContact CG2-OE1 3.15Å; C309-E313 WeakPolarHBondContact O-CG 3.42Å; C309-E313 PolarHBondContact O-N 2.88Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 2.7Å; E313-V316 WeakPolarHBondContact O-CB 3.38Å; E313-V316 PolarHBondContact O-N 2.88Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.42Å; E313-L317 PolarHBondContact O-N 2.88Å |
| 314 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 168.6 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | V38 L43 M47 I130 W132 W310 A311 Y312 L317 L318 | V38-T314 HydrophobicContact CG1-CG2 4.15Å; V38-T314 HydrophobicContact CG2-CG2 4.19Å; L43-T314 HydrophobicContact CB-CG2 4.27Å; L43-T314 HydrophobicContact CD1-CG2 3.9Å; M47-T314 HydrophobicContact CE-CG2 3.85Å; M47-T314 HydrophobicContact SD-CG2 4.13Å; I130-T314 HydrophobicContact CD1-CG2 4.37Å; W132-T314 WeakPolarHBondContact CZ2-OG1 3.35Å; W132-T314 PolarHBondContact NE1-OG1 3.26Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.39Å; W310-T314 PolarHBondContact O-OG1 3.09Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.02Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.02Å; T314-L317 PolarHBondContact O-N 3.46Å; T314-L318 HydrophobicContact CG2-CD1 3.86Å; T314-L318 WeakPolarHBondContact O-CB 3.43Å; T314-L318 WeakPolarHBondContact O-CD1 3.3Å; T314-L318 VanDerWaalsContact O-CG 3.22Å; T314-L318 WeakPolarHBondContact O-CG 3.12Å; T314-L318 PolarHBondContact O-N 2.94Å; T314-L318 VanDerWaalsContact O-N 3.08Å |
| 315 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L43 A311 Y312 E313 L317 L318 D319 Q320 E321 I324 | L43-A315 HydrophobicContact CD1-CB 4.06Å; L43-A315 HydrophobicContact CD2-CB 3.95Å; A311-A315 PolarHBondContact O-N 2.83Å; A311-A315 VanDerWaalsContact O-N 3.14Å; Y312-A315 CarbonylContact O-C 3.32Å; Y312-A315 WeakPolarHBondContact O-CA 3.23Å; Y312-A315 VanDerWaalsContact O-CB 3.24Å; Y312-A315 WeakPolarHBondContact O-CB 3.49Å; Y312-A315 PolarHBondContact O-N 2.89Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 2.7Å; A315-L317 PolarHBondContact O-N 2.84Å; A315-L318 CarbonylContact O-C 3.55Å; A315-L318 PolarHBondContact O-N 3.16Å; A315-D319 PolarHBondContact O-N 2.84Å; A315-D319 VanDerWaalsContact O-N 3.14Å; A315-Q320 HydrophobicContact CB-CB 4.21Å; A315-Q320 PolarHBondContact O-N 2.96Å; A315-E321 PolarHBondContact O-N 2.79Å; A315-I324 HydrophobicContact CB-CB 4.28Å; A315-I324 HydrophobicContact CB-CD1 3.77Å; A315-I324 HydrophobicContact CB-CG2 4.12Å |
| 316 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 173 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | V283 R284 K287 Y312 E313 L318 D319 E321 | V283-V316 HydrophobicContact CB-CG1 4.48Å; V283-V316 HydrophobicContact CG1-CG1 4.29Å; R284-V316 HydrophobicContact CB-CG1 3.64Å; R284-V316 HydrophobicContact CG-CG1 4.2Å; K287-V316 PolarHBondContact NZ-O 3.39Å; Y312-V316 HydrophobicContact CD1-CG2 4.15Å; Y312-V316 HydrophobicContact CE1-CG2 3.83Å; Y312-V316 HydrophobicContact CE2-CG2 4.44Å; Y312-V316 WeakPolarHBondContact O-CG2 3.34Å; Y312-V316 PolarHBondContact O-N 2.87Å; E313-V316 WeakPolarHBondContact O-CB 3.38Å; E313-V316 PolarHBondContact O-N 2.88Å; V316-L318 PolarHBondContact O-N 3.07Å; V316-D319 PolarHBondContact O-N 2.92Å; V316-D319 VanDerWaalsContact O-N 3.1Å; V316-E321 HydrophobicContact CG2-CB 4.11Å; V316-E321 WeakPolarHBondContact CG2-OE2 3.39Å |
| 317 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -25.3 | 179.8 | -67.2 | 166.3 | 0 | 0 | 0 | 112.6 | I128 I130 W132 V283 K287 L293 V295 E313 T314 A315 | I128-L317 HydrophobicContact CD1-CD2 4.35Å; I128-L317 HydrophobicContact CG2-CD2 4.09Å; I130-L317 HydrophobicContact CD1-CB 4.23Å; I130-L317 HydrophobicContact CD1-CD1 3.56Å; I130-L317 HydrophobicContact CG1-CD1 3.85Å; W132-L317 HydrophobicContact CH2-CD1 4.44Å; W132-L317 HydrophobicContact CZ2-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD2 3.71Å; V283-L317 HydrophobicContact CG1-CG 3.9Å; K287-L317 HydrophobicContact CB-CD2 4.43Å; K287-L317 WeakPolarHBondContact CE-O 3.48Å; K287-L317 HydrophobicContact CG-CD2 4.4Å; K287-L317 PolarHBondContact NZ-O 3.09Å; K287-L317 VanDerWaalsContact NZ-O 3.12Å; L293-L317 HydrophobicContact CD2-CD2 3.94Å; V295-L317 HydrophobicContact CB-CD1 4.19Å; V295-L317 HydrophobicContact CG1-CD1 4.18Å; V295-L317 HydrophobicContact CG2-CD1 3.8Å; V295-L317 HydrophobicContact CG2-CD2 3.92Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.42Å; E313-L317 PolarHBondContact O-N 2.88Å; T314-L317 PolarHBondContact O-N 3.46Å; A315-L317 PolarHBondContact O-N 2.84Å |
| 318 | L | 98.1 | Very high | 97.9 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 4.7 | 177 | -63.8 | 167.2 | 0 | 0 | 0 | 114.6 | V7 L43 R46 M47 T314 A315 V316 Q320 | V7-L318 HydrophobicContact CB-CD2 3.77Å; V7-L318 HydrophobicContact CG1-CD2 3.98Å; V7-L318 HydrophobicContact CG2-CD2 3.75Å; L43-L318 HydrophobicContact CB-CD1 3.8Å; L43-L318 HydrophobicContact CD2-CD1 4.28Å; L43-L318 WeakPolarHBondContact O-CD1 3.47Å; R46-L318 HydrophobicContact CB-CD1 4.24Å; R46-L318 HydrophobicContact CB-CD2 3.98Å; R46-L318 HydrophobicContact CB-CG 4.48Å; M47-L318 HydrophobicContact CB-CD2 3.87Å; M47-L318 HydrophobicContact CG-CD1 4.49Å; M47-L318 HydrophobicContact CG-CD2 4.41Å; M47-L318 HydrophobicContact SD-CD1 4.09Å; M47-L318 HydrophobicContact SD-CD2 4.42Å; T314-L318 HydrophobicContact CG2-CD1 3.86Å; T314-L318 WeakPolarHBondContact O-CB 3.43Å; T314-L318 WeakPolarHBondContact O-CD1 3.3Å; T314-L318 VanDerWaalsContact O-CG 3.22Å; T314-L318 WeakPolarHBondContact O-CG 3.12Å; T314-L318 PolarHBondContact O-N 2.94Å; T314-L318 VanDerWaalsContact O-N 3.08Å; A315-L318 CarbonylContact O-C 3.55Å; A315-L318 PolarHBondContact O-N 3.16Å; V316-L318 PolarHBondContact O-N 3.07Å; L318-Q320 HydrophobicContact CB-CB 4.48Å; L318-Q320 HydrophobicContact CB-CG 3.94Å; L318-Q320 PolarHBondContact O-N 3.12Å |
| 319 | D | 97.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 40 Ų | 40 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 36.1 | -172.5 | -61.5 | -62 | 0 | 0 | 0 | 112.5 | K287 A315 V316 | K287-D319 IonicContact NZ-OD1 3.09Å; K287-D319 PolarHBondContact NZ-OD1 2.85Å; K287-D319 IonicContact NZ-OD2 2.61Å; K287-D319 PolarHBondContact NZ-OD2 3.35Å; A315-D319 PolarHBondContact O-N 2.84Å; A315-D319 VanDerWaalsContact O-N 3.14Å; V316-D319 PolarHBondContact O-N 2.92Å; V316-D319 VanDerWaalsContact O-N 3.1Å |
| 320 | Q | 97.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 49 Ų | 49 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | trans | -113.9 | 8.4 | 179.7 | -62 | -58.8 | -89.6 | 0 | 0 | 113.2 | L43 R46 A315 L318 K322 E323 I324 | L43-Q320 HydrophobicContact CD2-CB 4.12Å; L43-Q320 HydrophobicContact CD2-CG 4.45Å; R46-Q320 HydrophobicContact CG-CG 4.37Å; A315-Q320 HydrophobicContact CB-CB 4.21Å; A315-Q320 PolarHBondContact O-N 2.96Å; L318-Q320 HydrophobicContact CB-CB 4.48Å; L318-Q320 HydrophobicContact CB-CG 3.94Å; L318-Q320 PolarHBondContact O-N 3.12Å; Q320-K322 PolarHBondContact O-N 2.92Å; Q320-E323 WeakPolarHBondContact CA-OE2 3.43Å; Q320-E323 PolarHBondContact O-N 3.04Å; Q320-I324 WeakPolarHBondContact O-CB 3.37Å; Q320-I324 PolarHBondContact O-N 3.24Å | ||
| 321 | E | 96.6 | Very high | 97.4 | Very high | 36 Ų | 36 | 49 Ų | 49 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.3 | -175.6 | 66.4 | 179.1 | -167.7 | 0 | 0 | 115 | R284 Y312 A315 V316 | R284-E321 IonicContact CZ-OE1 3.84Å; R284-E321 IonicContact CZ-OE2 3.48Å; R284-E321 IonicContact NE-OE1 3.95Å; R284-E321 PolarHBondContact NE-OE1 3.2Å; R284-E321 IonicContact NE-OE2 3.93Å; R284-E321 PolarHBondContact NE-OE2 3.11Å; R284-E321 VanDerWaalsContact NH2-CD 3.32Å; R284-E321 IonicContact NH2-OE1 3.73Å; R284-E321 PolarHBondContact NH2-OE1 2.85Å; R284-E321 IonicContact NH2-OE2 2.83Å; R284-E321 PolarHBondContact NH2-OE2 3.49Å; Y312-E321 HydrophobicContact CE2-CB 4.03Å; A315-E321 PolarHBondContact O-N 2.79Å; V316-E321 HydrophobicContact CG2-CB 4.11Å; V316-E321 WeakPolarHBondContact CG2-OE2 3.39Å |
| 322 | K | 95.5 | Very high | 97.1 | Very high | 178 Ų | 178 | 54.5 Ų | 54.5 | 77% | 0.774 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -21.1 | 178.3 | -64.6 | -179.2 | -177.2 | 170.7 | 0 | 111.4 | Q320 | Q320-K322 PolarHBondContact O-N 2.92Š|
| 323 | E | 95.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -30.3 | -174.8 | -63.8 | 70.8 | -161.7 | 0 | 0 | 111.7 | Q320 S325 | Q320-E323 WeakPolarHBondContact CA-OE2 3.43Å; Q320-E323 PolarHBondContact O-N 3.04Å; E323-S325 PolarHBondContact O-N 3.45Å |
| 324 | I | 96.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -65.5 | 130.1 | 179.2 | -165.4 | 168.6 | 0 | 0 | 0 | 111.3 | Y41 L43 Y312 A315 Q320 L343 | Y41-I324 HydrophobicContact CD1-CD1 3.7Å; Y41-I324 HydrophobicContact CD1-CG1 3.37Å; Y41-I324 HydrophobicContact CD2-CD1 3.83Å; Y41-I324 HydrophobicContact CD2-CG1 4.41Å; Y41-I324 HydrophobicContact CE1-CD1 3.97Å; Y41-I324 HydrophobicContact CE1-CG1 3.49Å; Y41-I324 VanDerWaalsContact CE1-CG1 3.49Å; Y41-I324 HydrophobicContact CE2-CD1 4.11Å; Y41-I324 HydrophobicContact CG-CD1 3.61Å; Y41-I324 HydrophobicContact CG-CG1 3.86Å; L43-I324 HydrophobicContact CD1-CD1 4.25Å; L43-I324 HydrophobicContact CD2-CD1 4.48Å; Y312-I324 HydrophobicContact CD2-CG2 4.38Å; A315-I324 HydrophobicContact CB-CB 4.28Å; A315-I324 HydrophobicContact CB-CD1 3.77Å; A315-I324 HydrophobicContact CB-CG2 4.12Å; Q320-I324 WeakPolarHBondContact O-CB 3.37Å; Q320-I324 PolarHBondContact O-N 3.24Å; I324-L343 HydrophobicContact CD1-CD2 3.84Å; I324-L343 HydrophobicContact CG1-CD2 4.1Å; I324-L343 HydrophobicContact CG2-CD2 4.15Å |
| 325 | S | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 42% | 0.42 | 32% | 0.318 | S | S | . | . | trans | -68.6 | 143 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | Y41 E323 E327 | Y41-S325 WeakPolarHBondContact CE1-O 3.2Å; Y41-S325 PolarHBondContact OH-O 3.32Å; Y41-S325 VanDerWaalsContact OH-O 3.08Å; E323-S325 PolarHBondContact O-N 3.45Å; S325-E327 PolarHBondContact O-N 2.71Å; S325-E327 PolarHBondContact OG-N 2.93Å | ||
| 326 | N | 98 | Very high | 96.6 | Very high | 64 Ų | 64 | 69.9 Ų | 69.9 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.1 | -16.8 | 168.3 | -169.8 | 47.4 | 0 | 0 | 0 | 112.4 | T342 L343 H344 | N326-T342 CarbonylContact O-C 3.4Å; N326-T342 WeakPolarHBondContact O-CA 3.44Å; N326-T342 WeakPolarHBondContact O-CB 3.46Å; N326-L343 PolarHBondContact O-N 3.12Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.42Å; N326-H344 PolarHBondContact OD1-N 2.89Å |
| 327 | E | 97.7 | Very high | 96.5 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -78 | 132.7 | 170.7 | -65 | 178 | 178.6 | 0 | 0 | 109.2 | Y41 S325 | Y41-E327 PolarHBondContact OH-O 2.7Å; S325-E327 PolarHBondContact O-N 2.71Å; S325-E327 PolarHBondContact OG-N 2.93Å |
| 328 | L | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 76.8 Ų | 76.8 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71 | 133.9 | 175.6 | -66 | -179.5 | 0 | 0 | 0 | 109.9 | L37 Y41 R308 I334 F337 Y341 L343 | L37-L328 HydrophobicContact CD1-CD2 4.37Å; L37-L328 HydrophobicContact CD2-CD2 4Å; Y41-L328 HydrophobicContact CE2-CD2 4.19Å; Y41-L328 WeakPolarHBondContact OH-CA 3.24Å; Y41-L328 WeakPolarHBondContact OH-CD2 3.44Å; R308-L328 HydrophobicContact CG-CD2 4.5Å; L328-I334 HydrophobicContact CB-CD1 3.91Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; L328-F337 HydrophobicContact CD1-CB 3.45Å; L328-F337 VanDerWaalsContact CD1-CB 3.45Å; L328-F337 HydrophobicContact CD1-CD1 3.6Å; L328-F337 HydrophobicContact CD1-CD2 4.02Å; L328-F337 HydrophobicContact CD1-CE1 4.35Å; L328-F337 HydrophobicContact CD1-CG 3.4Å; L328-Y341 PolarHBondContact N-O 3.17Å; L328-L343 HydrophobicContact CD2-CB 4.18Å; L328-L343 HydrophobicContact CD2-CD1 4.19Å |
| 329 | P | 96.5 | Very high | 96.1 | Very high | 29 Ų | 29 | 79.1 Ų | 79.1 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -68 | 147.3 | 175.2 | 30.7 | -36.6 | 0 | 0 | 0 | 110.2 | N40 Y41 S331 | N40-P329 HydrophobicContact CB-CB 3.82Å; N40-P329 HydrophobicContact CB-CG 3.51Å; Y41-P329 HydrophobicContact CD1-CG 4.21Å; Y41-P329 HydrophobicContact CD2-CG 4.06Å; Y41-P329 HydrophobicContact CE1-CG 4.29Å; Y41-P329 VanDerWaalsContact CE2-CD 3.49Å; Y41-P329 HydrophobicContact CE2-CG 4.12Å; Y41-P329 HydrophobicContact CG-CG 4.11Å; P329-S331 PolarHBondContact O-N 3.06Å |
| 330 | Y | 95 | Very high | 95.9 | Very high | 188 Ų | 188 | 77.6 Ų | 77.6 | 74% | 0.737 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 135.1 | 175.9 | 179.6 | -97.9 | 0 | 0 | 0 | 110.7 | I334 | Y330-I334 HydrophobicContact CD2-CG2 4.17Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å |
| 331 | S | 93.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | trans | -150.7 | 163.8 | 171.8 | 71.7 | 0 | 0 | 0 | 0 | 109.6 | T36 P329 Y333 I334 | T36-S331 VanDerWaalsContact CG2-CB 3.43Å; T36-S331 WeakPolarHBondContact CG2-OG 3.41Å; P329-S331 PolarHBondContact O-N 3.06Å; S331-Y333 PolarHBondContact O-N 3.16Å; S331-Y333 PolarHBondContact OG-N 3.41Å; S331-I334 WeakPolarHBondContact O-CB 3.48Å; S331-I334 WeakPolarHBondContact O-CG2 3.44Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-I334 PolarHBondContact OG-N 2.96Å | ||
| 332 | P | 93 | Very high | 95.9 | Very high | 115 Ų | 115 | 80.6 Ų | 80.6 | 75% | 0.747 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.5 | 173.4 | -25.9 | 35.8 | 0 | 0 | 0 | 114.2 | ||
| 333 | Y | 94.8 | Very high | 96 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 8.9 | 179.2 | -61.3 | -76.6 | 0 | 0 | 0 | 113.6 | H29 T32 L33 T36 S331 E335 F336 | H29-Y333 AromaticContact CE1-CE1 3.73Å; H29-Y333 AromaticContact NE2-CE1 4Å; T32-Y333 HydrophobicContact CG2-CE2 4.01Å; L33-Y333 VanDerWaalsContact CD2-CB 3.5Å; L33-Y333 HydrophobicContact CD2-CD1 3.74Å; L33-Y333 HydrophobicContact CD2-CD2 4.41Å; L33-Y333 HydrophobicContact CD2-CG 3.64Å; T36-Y333 HydrophobicContact CG2-CD2 3.92Å; T36-Y333 WeakPolarHBondContact OG1-CD2 3.3Å; S331-Y333 PolarHBondContact O-N 3.16Å; S331-Y333 PolarHBondContact OG-N 3.41Å; Y333-E335 PolarHBondContact O-N 2.71Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; Y333-F336 HydrophobicContact CD1-CD2 4.09Å; Y333-F336 AromaticContact CD1-CE2 3.81Å; Y333-F336 HydrophobicContact CD1-CE2 3.81Å; Y333-F336 WeakPolarHBondContact O-CB 3.24Å; Y333-F336 PolarHBondContact O-N 3.08Å |
| 334 | I | 96 | Very high | 96.1 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -56.6 | -30.8 | -174.2 | -167.4 | 58.9 | 0 | 0 | 0 | 113.3 | L328 Y330 S331 F336 F337 Y341 | L328-I334 HydrophobicContact CB-CD1 3.91Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; Y330-I334 HydrophobicContact CD2-CG2 4.17Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å; S331-I334 WeakPolarHBondContact O-CB 3.48Å; S331-I334 WeakPolarHBondContact O-CG2 3.44Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-I334 PolarHBondContact OG-N 2.96Å; I334-F336 PolarHBondContact O-N 3.21Å; I334-F337 WeakPolarHBondContact O-CB 3.32Å; I334-F337 PolarHBondContact O-N 3.23Å; I334-Y341 HydrophobicContact CD1-CD1 4.03Å; I334-Y341 HydrophobicContact CG1-CD1 3.87Å; I334-Y341 HydrophobicContact CG1-CE1 4.14Å |
| 335 | E | 96.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65.2 | -22.8 | 179.3 | -62.5 | -57.3 | 159.1 | 0 | 0 | 113.9 | Y333 F337 Y338 Y341 | Y333-E335 PolarHBondContact O-N 2.71Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; E335-F337 PolarHBondContact O-N 2.92Å; E335-F337 VanDerWaalsContact O-N 3.12Å; E335-Y338 PolarHBondContact O-N 3.35Å; E335-Y341 PolarHBondContact OE2-OH 3.42Å |
| 336 | F | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 70.5 Ų | 70.5 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -62.9 | -18.6 | 173.6 | -79.9 | -96.3 | 0 | 0 | 0 | 112.8 | H29 L33 R304 Y333 I334 | H29-F336 AromaticContact CD2-CE1 3.83Å; H29-F336 AromaticContact CD2-CZ 3.98Å; H29-F336 AromaticContact NE2-CE1 3.81Å; H29-F336 AromaticContact NE2-CE2 4Å; H29-F336 AromaticContact NE2-CZ 3.5Å; H29-F336 WeakPolarHBondContact NE2-CZ 3.47Å; L33-F336 HydrophobicContact CD1-CB 3.83Å; L33-F336 HydrophobicContact CD1-CD1 3.81Å; L33-F336 HydrophobicContact CD1-CG 3.86Å; L33-F336 HydrophobicContact CD2-CB 4.44Å; L33-F336 HydrophobicContact CD2-CD2 4.18Å; L33-F336 HydrophobicContact CD2-CG 4.15Å; R304-F336 WeakPolarHBondContact CB-O 3.14Å; Y333-F336 HydrophobicContact CD1-CD2 4.09Å; Y333-F336 AromaticContact CD1-CE2 3.81Å; Y333-F336 HydrophobicContact CD1-CE2 3.81Å; Y333-F336 WeakPolarHBondContact O-CB 3.24Å; Y333-F336 PolarHBondContact O-N 3.08Å; I334-F336 PolarHBondContact O-N 3.21Å |
| 337 | F | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -97 | -1 | -176.3 | -59.6 | -82.3 | 0 | 0 | 0 | 113.5 | L33 L37 R304 A307 R308 L328 I334 E335 D340 | L33-F337 HydrophobicContact CB-CZ 4.33Å; L37-F337 HydrophobicContact CD1-CE1 3.79Å; L37-F337 HydrophobicContact CD1-CZ 3.65Å; L37-F337 HydrophobicContact CD2-CE2 4.25Å; L37-F337 HydrophobicContact CD2-CZ 4.06Å; L37-F337 HydrophobicContact CG-CE1 4.49Å; L37-F337 HydrophobicContact CG-CE2 4.47Å; L37-F337 HydrophobicContact CG-CZ 3.88Å; R304-F337 HydrophobicContact CB-CD1 3.95Å; R304-F337 HydrophobicContact CB-CE1 4.2Å; A307-F337 HydrophobicContact CB-CE1 4.06Å; A307-F337 HydrophobicContact CB-CZ 4.08Å; R308-F337 HydrophobicContact CG-CD1 4.13Å; R308-F337 HydrophobicContact CG-CE1 4.05Å; R308-F337 PolarHBondContact NH2-O 3.35Å; L328-F337 HydrophobicContact CD1-CB 3.45Å; L328-F337 VanDerWaalsContact CD1-CB 3.45Å; L328-F337 HydrophobicContact CD1-CD1 3.6Å; L328-F337 HydrophobicContact CD1-CD2 4.02Å; L328-F337 HydrophobicContact CD1-CE1 4.35Å; L328-F337 HydrophobicContact CD1-CG 3.4Å; I334-F337 WeakPolarHBondContact O-CB 3.32Å; I334-F337 PolarHBondContact O-N 3.23Å; E335-F337 PolarHBondContact O-N 2.92Å; E335-F337 VanDerWaalsContact O-N 3.12Å; F337-D340 CarbonylContact O-C 3.29Å; F337-D340 VanDerWaalsContact O-C 3.32Å; F337-D340 PolarHBondContact O-N 2.86Å; F337-D340 VanDerWaalsContact O-N 3.16Å |
| 338 | Y | 94.6 | Very high | 95.5 | Very high | 148 Ų | 148 | 66.1 Ų | 66.1 | 58% | 0.58 | 33% | 0.326 | S | S | * | . | trans | -53.7 | 143.9 | 173.6 | 178.5 | -86.6 | 0 | 0 | 0 | 112.3 | R304 E335 Y341 | R304-Y338 PolarHBondContact NH1-O 2.82Å; E335-Y338 PolarHBondContact O-N 3.35Å; Y338-Y341 HydrophobicContact CD2-CE2 4.42Å; Y338-Y341 WeakPolarHBondContact CD2-OH 3.19Å | ||
| 339 | P | 94.4 | Very high | 95 | Very high | 65 Ų | 65 | 67 Ų | 67 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | S | Bend | cis | -83.5 | -14.8 | -4.4 | 34.1 | -34.3 | 0 | 0 | 0 | 113.6 | Y341 | P339-Y341 WeakPolarHBondContact O-CD2 3.02Å; P339-Y341 PolarHBondContact O-N 3.42Å |
| 340 | D | 91.5 | Very high | 94.5 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -90.1 | 93 | -170.4 | -52.2 | -66.4 | 0 | 0 | 0 | 110.6 | R308 F337 T342 P345 | R308-D340 PolarHBondContact NH2-O 3.5Å; F337-D340 CarbonylContact O-C 3.29Å; F337-D340 VanDerWaalsContact O-C 3.32Å; F337-D340 PolarHBondContact O-N 2.86Å; F337-D340 VanDerWaalsContact O-N 3.16Å; D340-T342 PolarHBondContact O-N 2.72Å; D340-P345 HydrophobicContact CB-CB 3.96Å | ||
| 341 | Y | 96.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 70 Ų | 70 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | trans | -77.1 | 37.6 | 177.5 | -56.5 | -76.3 | 0 | 0 | 0 | 113.3 | L328 I334 E335 Y338 P339 | L328-Y341 PolarHBondContact N-O 3.17Å; I334-Y341 HydrophobicContact CD1-CD1 4.03Å; I334-Y341 HydrophobicContact CG1-CD1 3.87Å; I334-Y341 HydrophobicContact CG1-CE1 4.14Å; E335-Y341 PolarHBondContact OE2-OH 3.42Å; Y338-Y341 HydrophobicContact CD2-CE2 4.42Å; Y338-Y341 WeakPolarHBondContact CD2-OH 3.19Å; P339-Y341 WeakPolarHBondContact O-CD2 3.02Å; P339-Y341 PolarHBondContact O-N 3.42Å | ||
| 342 | T | 98.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 76.9 Ų | 76.9 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -118.5 | 154.3 | -178 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | R308 N326 D340 | R308-T342 WeakPolarHBondContact CD-O 3.48Å; R308-T342 PolarHBondContact NE-O 2.65Å; N326-T342 CarbonylContact O-C 3.4Å; N326-T342 WeakPolarHBondContact O-CA 3.44Å; N326-T342 WeakPolarHBondContact O-CB 3.46Å; D340-T342 PolarHBondContact O-N 2.72Å |
| 343 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -71.5 | -35.9 | 174.6 | -172.3 | 60.5 | 0 | 0 | 0 | 111.5 | Y41 I276 R308 Y312 I324 N326 L328 P345 | Y41-L343 HydrophobicContact CE2-CD1 4.06Å; I276-L343 WeakPolarHBondContact CD1-O 3.38Å; R308-L343 HydrophobicContact CB-CD1 4.14Å; R308-L343 WeakPolarHBondContact O-CD1 3.39Å; Y312-L343 HydrophobicContact CD2-CD2 4Å; I324-L343 HydrophobicContact CD1-CD2 3.84Å; I324-L343 HydrophobicContact CG1-CD2 4.1Å; I324-L343 HydrophobicContact CG2-CD2 4.15Å; N326-L343 PolarHBondContact O-N 3.12Å; L328-L343 HydrophobicContact CD2-CB 4.18Å; L328-L343 HydrophobicContact CD2-CD1 4.19Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact O-CD 3.24Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å |
| 344 | H | 98 | Very high | 94.7 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -117 | 76.9 | 179.3 | -55.3 | -70.9 | 0 | 0 | 0 | 110.6 | R277 Y312 N326 | R277-H344 VanDerWaalsContact CZ-NE2 3.35Å; R277-H344 PolarHBondContact NH1-NE2 3.36Å; R277-H344 PolarHBondContact NH2-CD2 3.1Å; R277-H344 PolarHBondContact NH2-NE2 3.11Å; Y312-H344 AromaticContact CD1-CE1 3.84Å; Y312-H344 AromaticContact CD2-CE1 3.37Å; Y312-H344 WeakPolarHBondContact CD2-CE1 3.48Å; Y312-H344 AromaticContact CD2-NE2 3.55Å; Y312-H344 AromaticContact CE1-CE1 3.95Å; Y312-H344 AromaticContact CE2-CE1 3.52Å; Y312-H344 AromaticContact CE2-NE2 3.57Å; Y312-H344 AromaticContact CG-CE1 3.54Å; Y312-H344 AromaticContact CZ-CE1 3.81Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.42Å; N326-H344 PolarHBondContact OD1-N 2.89Å |
| 345 | P | 97.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | trans | -65.7 | 162.2 | 169 | 31.4 | -38.3 | 0 | 0 | 0 | 110.9 | D340 L343 L347 | D340-P345 HydrophobicContact CB-CB 3.96Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact O-CD 3.24Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å; P345-L347 HydrophobicContact CB-CD2 4.45Å; P345-L347 HydrophobicContact CG-CD2 3.86Å; P345-L347 HydrophobicContact CG-CG 4.27Å; P345-L347 PolarHBondContact O-N 2.94Å | ||
| 346 | D | 95.7 | Very high | 94.9 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 68% | 0.679 | 35% | 0.353 | S | S | * | . | trans | -71.4 | 114.6 | 169.5 | -173.7 | 7.1 | 0 | 0 | 0 | 109.6 | T348 | D346-T348 WeakPolarHBondContact OD1-CB 3.45Å; D346-T348 PolarHBondContact OD1-N 2.83Å; D346-T348 PolarHBondContact OD1-OG1 2.87Å | ||
| 347 | L | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | trans | -104.9 | 13.8 | 178.3 | -59.9 | -173.6 | 0 | 0 | 0 | 112.1 | L264 G265 I276 N305 P345 T349 | L264-L347 HydrophobicContact CB-CD1 4.2Å; L264-L347 HydrophobicContact CD1-CD1 4.44Å; L264-L347 HydrophobicContact CD2-CD1 4.44Å; G265-L347 WeakPolarHBondContact CA-O 3.3Å; I276-L347 HydrophobicContact CD1-CD1 4.33Å; I276-L347 HydrophobicContact CG1-CD1 4.08Å; N305-L347 WeakPolarHBondContact ND2-CD2 3.34Å; P345-L347 HydrophobicContact CB-CD2 4.45Å; P345-L347 HydrophobicContact CG-CD2 3.86Å; P345-L347 HydrophobicContact CG-CG 4.27Å; P345-L347 PolarHBondContact O-N 2.94Å; L347-T349 PolarHBondContact O-N 2.89Å | ||
| 348 | T | 88.7 | Confident | 94.9 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 66% | 0.656 | 40% | 0.401 | S | S | * | . | trans | -62.3 | 125.5 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | D346 | D346-T348 WeakPolarHBondContact OD1-CB 3.45Å; D346-T348 PolarHBondContact OD1-N 2.83Å; D346-T348 PolarHBondContact OD1-OG1 2.87Å | ||
| 349 | T | 86.9 | Confident | 95.1 | Very high | 35 Ų | 35 | 75.9 Ų | 75.9 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | trans | -101.9 | 175.4 | 175.3 | 87.5 | 0 | 0 | 0 | 0 | 111.4 | C266 N273 L347 L351 | C266-T349 VanDerWaalsContact N-CG2 3.34Å; N273-T349 WeakPolarHBondContact OD1-CB 3.28Å; N273-T349 VanDerWaalsContact OD1-CG2 3.24Å; N273-T349 WeakPolarHBondContact OD1-CG2 3.39Å; N273-T349 PolarHBondContact OD1-OG1 3.11Å; L347-T349 PolarHBondContact O-N 2.89Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 WeakPolarHBondContact OG1-CB 3.5Å; T349-L351 WeakPolarHBondContact OG1-CG 3.36Å; T349-L351 PolarHBondContact OG1-N 2.61Å | ||
| 350 | K | 84.9 | Confident | 95.3 | Very high | 207 Ų | 207 | 73.1 Ų | 73.1 | 90% | 0.9 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -83.6 | 1.3 | 172.1 | -63.1 | -176.1 | -179 | 179.2 | 0 | 113.4 | D352 | K350-D352 PolarHBondContact O-N 2.83Š|
| 351 | L | 90.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | trans | -74.6 | 118.2 | -179.4 | -63.9 | 173.9 | 0 | 0 | 0 | 109.2 | V271 N273 T349 | V271-L351 HydrophobicContact CB-CD1 4.19Å; N273-L351 PolarHBondContact ND2-O 2.98Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 WeakPolarHBondContact OG1-CB 3.5Å; T349-L351 WeakPolarHBondContact OG1-CG 3.36Å; T349-L351 PolarHBondContact OG1-N 2.61Å | ||
| 352 | D | 95.1 | Very high | 95.7 | Very high | 144 Ų | 144 | 71.5 Ų | 71.5 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | trans | -65.4 | 142.1 | 170.7 | -69.6 | -38 | 0 | 0 | 0 | 110.1 | K350 A354 | K350-D352 PolarHBondContact O-N 2.83Å; D352-A354 PolarHBondContact O-N 3.38Å | ||
| 353 | N | 97.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | trans | -69.2 | 103.6 | 176.1 | -172.3 | -10 | 0 | 0 | 0 | 110.1 | G229 D231 N355 | G229-N353 WeakPolarHBondContact O-CA 3.31Å; G229-N353 WeakPolarHBondContact O-CB 3.38Å; D231-N353 PolarHBondContact OD2-ND2 2.84Å; N353-N355 PolarHBondContact O-N 3.33Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.42Å; N353-N355 PolarHBondContact OD1-N 3.49Å; N353-N355 PolarHBondContact OD1-ND2 3.48Å | ||
| 354 | A | 98 | Very high | 95.6 | Very high | 42 Ų | 42 | 74.1 Ų | 74.1 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | trans | -76.8 | -3.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | K227 E228 D352 | K227-A354 HydrophobicContact CB-CB 3.86Å; K227-A354 HydrophobicContact CD-CB 4.33Å; K227-A354 WeakPolarHBondContact CD-O 3.32Å; E228-A354 HydrophobicContact CG-CB 4.14Å; E228-A354 WeakPolarHBondContact O-CB 3.34Å; E228-A354 PolarHBondContact O-N 3.05Å; D352-A354 PolarHBondContact O-N 3.38Å | ||
| 355 | N | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | trans | -87.5 | 110.2 | 179 | -56.7 | -91.4 | 0 | 0 | 0 | 109.4 | K227 E228 I230 M234 N353 I360 | K227-N355 WeakPolarHBondContact CB-OD1 3.5Å; K227-N355 PolarHBondContact N-OD1 3.38Å; K227-N355 PolarHBondContact O-ND2 3.41Å; E228-N355 PolarHBondContact O-ND2 3.24Å; I230-N355 WeakPolarHBondContact CB-ND2 3.22Å; M234-N355 WeakPolarHBondContact CE-O 3.42Å; M234-N355 HydrophobicContact SD-CB 3.51Å; M234-N355 VanDerWaalsContact SD-CB 3.51Å; N353-N355 PolarHBondContact O-N 3.33Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.42Å; N353-N355 PolarHBondContact OD1-N 3.49Å; N353-N355 PolarHBondContact OD1-ND2 3.48Å; N355-I360 HydrophobicContact CB-CD1 3.98Å; N355-I360 HydrophobicContact CB-CG1 4.09Å | ||
| 356 | T | 98.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 79.3 Ų | 79.3 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | trans | -80.4 | 153.5 | 174 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | Q358 Y359 I360 | T356-Q358 PolarHBondContact O-N 3.25Å; T356-Y359 WeakPolarHBondContact O-CB 3.34Å; T356-Y359 PolarHBondContact O-N 3.14Å; T356-Y359 VanDerWaalsContact OG1-CB 3.31Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.44Å; T356-Y359 PolarHBondContact OG1-N 3.42Å; T356-Y359 VanDerWaalsContact OG1-N 3.12Å; T356-I360 PolarHBondContact O-N 3.03Å | ||
| 357 | R | 97.6 | Very high | 95.7 | Very high | 206 Ų | 206 | 73.7 Ų | 73.7 | 78% | 0.777 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.6 | -37.8 | 173.8 | -69.9 | -176.9 | 179.2 | 172.7 | 0.1 | 112 | E361 | R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 PolarHBondContact O-N 2.9Å |
| 358 | Q | 98.2 | Very high | 95.8 | Very high | 146 Ų | 146 | 75.9 Ų | 75.9 | 68% | 0.682 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 177 | -63.1 | 81.7 | -2 | 0 | 0 | 111.7 | T356 A362 | T356-Q358 PolarHBondContact O-N 3.25Å; Q358-A362 WeakPolarHBondContact O-CB 3.35Å; Q358-A362 PolarHBondContact O-N 3.38Å |
| 359 | Y | 98.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -48 | 177 | 178.1 | -107.8 | 0 | 0 | 0 | 111.6 | P225 K227 T356 E361 A362 L363 | P225-Y359 PolarHBondContact O-OH 2.97Å; K227-Y359 HydrophobicContact CD-CD1 4.45Å; K227-Y359 HydrophobicContact CD-CE1 4.3Å; K227-Y359 HydrophobicContact CG-CE1 4.07Å; T356-Y359 WeakPolarHBondContact O-CB 3.34Å; T356-Y359 PolarHBondContact O-N 3.14Å; T356-Y359 VanDerWaalsContact OG1-CB 3.31Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.44Å; T356-Y359 PolarHBondContact OG1-N 3.42Å; T356-Y359 VanDerWaalsContact OG1-N 3.12Å; Y359-E361 VanDerWaalsContact C-N 3.34Å; Y359-E361 PolarHBondContact O-N 3.07Å; Y359-A362 PolarHBondContact O-N 3Å; Y359-L363 HydrophobicContact CD1-CD1 4.03Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.48Å; Y359-L363 HydrophobicContact CE2-CD2 4.49Å; Y359-L363 HydrophobicContact CE2-CG 4.37Å; Y359-L363 PolarHBondContact O-N 3.26Å |
| 360 | I | 98.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.9 | -66.5 | -60 | 0 | 0 | 0 | 111.5 | L226 I230 M234 V238 N355 T356 A362 L363 R364 | L226-I360 HydrophobicContact CD2-CD1 3.73Å; I230-I360 HydrophobicContact CD1-CD1 4.22Å; M234-I360 HydrophobicContact CG-CD1 4.38Å; M234-I360 HydrophobicContact CG-CG1 3.85Å; M234-I360 HydrophobicContact SD-CD1 4.38Å; M234-I360 HydrophobicContact SD-CG1 3.68Å; V238-I360 HydrophobicContact CB-CG2 3.89Å; V238-I360 HydrophobicContact CG2-CG2 4.36Å; N355-I360 HydrophobicContact CB-CD1 3.98Å; N355-I360 HydrophobicContact CB-CG1 4.09Å; T356-I360 PolarHBondContact O-N 3.03Å; I360-A362 PolarHBondContact O-N 2.77Å; I360-L363 PolarHBondContact O-N 3.43Å; I360-R364 VanDerWaalsContact O-CG 3.31Å; I360-R364 WeakPolarHBondContact O-CG 3.46Å; I360-R364 PolarHBondContact O-N 3.47Å |
| 361 | E | 98 | Very high | 97.3 | Very high | 82 Ų | 82 | 64.7 Ų | 64.7 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178 | -169.7 | 59.5 | -160.4 | 0 | 0 | 111.9 | R357 Y359 R364 M365 | R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 PolarHBondContact O-N 2.9Å; Y359-E361 VanDerWaalsContact C-N 3.34Å; Y359-E361 PolarHBondContact O-N 3.07Å; E361-R364 PolarHBondContact O-N 3.02Å; E361-R364 IonicContact OE1-NH1 2.66Å; E361-R364 IonicContact OE2-CZ 2.77Å; E361-R364 IonicContact OE2-NE 2.75Å; E361-R364 IonicContact OE2-NH1 3.51Å; E361-R364 PolarHBondContact OE2-NH1 3.34Å; E361-M365 HydrophobicContact CG-SD 4.45Å; E361-M365 VanDerWaalsContact O-CG 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.4Å; E361-M365 PolarHBondContact O-N 2.95Å |
| 362 | A | 97.9 | Very high | 97.5 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q358 Y359 I360 R364 M365 T366 | Q358-A362 WeakPolarHBondContact O-CB 3.35Å; Q358-A362 PolarHBondContact O-N 3.38Å; Y359-A362 PolarHBondContact O-N 3Å; I360-A362 PolarHBondContact O-N 2.77Å; A362-R364 PolarHBondContact O-N 3.47Å; A362-M365 PolarHBondContact O-N 2.91Å; A362-T366 PolarHBondContact O-N 3.19Å; A362-T366 PolarHBondContact O-OG1 3.14Å; A362-T366 VanDerWaalsContact O-OG1 3.09Å |
| 363 | L | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 175.1 | -73.4 | 178.8 | 0 | 0 | 0 | 111.8 | M209 V224 P225 L226 Y359 I360 M365 T366 V367 | M209-L363 HydrophobicContact SD-CD2 4.34Å; V224-L363 HydrophobicContact CG1-CD1 4.41Å; P225-L363 HydrophobicContact CG-CD2 3.93Å; P225-L363 WeakPolarHBondContact O-CD1 3.42Å; L226-L363 HydrophobicContact CD2-CD1 4.13Å; Y359-L363 HydrophobicContact CD1-CD1 4.03Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.48Å; Y359-L363 HydrophobicContact CE2-CD2 4.49Å; Y359-L363 HydrophobicContact CE2-CG 4.37Å; Y359-L363 PolarHBondContact O-N 3.26Å; I360-L363 PolarHBondContact O-N 3.43Å; L363-M365 VanDerWaalsContact C-N 3.33Å; L363-M365 PolarHBondContact O-N 3.36Å; L363-T366 PolarHBondContact O-N 3.14Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 2.96Å |
| 364 | R | 97.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -46 | 177.6 | -72.1 | 175.2 | 63.8 | -156.1 | 2.7 | 111.6 | V238 A241 I360 E361 A362 V367 H368 | V238-R364 HydrophobicContact CB-CG 4.46Å; V238-R364 HydrophobicContact CG2-CG 3.89Å; A241-R364 HydrophobicContact CB-CG 4.39Å; I360-R364 VanDerWaalsContact O-CG 3.31Å; I360-R364 WeakPolarHBondContact O-CG 3.46Å; I360-R364 PolarHBondContact O-N 3.47Å; E361-R364 PolarHBondContact O-N 3.02Å; E361-R364 IonicContact OE1-NH1 2.66Å; E361-R364 IonicContact OE2-CZ 2.77Å; E361-R364 IonicContact OE2-NE 2.75Å; E361-R364 IonicContact OE2-NH1 3.51Å; E361-R364 PolarHBondContact OE2-NH1 3.34Å; A362-R364 PolarHBondContact O-N 3.47Å; R364-V367 PolarHBondContact O-N 3.32Å; R364-H368 VanDerWaalsContact O-CB 3.25Å; R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-N 3.25Å |
| 365 | M | 97.5 | Very high | 96.2 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 51% | 0.512 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178 | -71.9 | 179.7 | 65.8 | 0 | 0 | 111.8 | E361 A362 L363 H368 D369 | E361-M365 HydrophobicContact CG-SD 4.45Å; E361-M365 VanDerWaalsContact O-CG 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.4Å; E361-M365 PolarHBondContact O-N 2.95Å; A362-M365 PolarHBondContact O-N 2.91Å; L363-M365 VanDerWaalsContact C-N 3.33Å; L363-M365 PolarHBondContact O-N 3.36Å; M365-H368 PolarHBondContact O-N 3.12Å; M365-D369 WeakPolarHBondContact O-CB 3.08Å; M365-D369 PolarHBondContact O-N 3.06Å |
| 366 | T | 97.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 73.2 Ų | 73.2 | 31% | 0.307 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | M209 A362 L363 D369 N370 | M209-T366 HydrophobicContact SD-CG2 4.26Å; A362-T366 PolarHBondContact O-N 3.19Å; A362-T366 PolarHBondContact O-OG1 3.14Å; A362-T366 VanDerWaalsContact O-OG1 3.09Å; L363-T366 PolarHBondContact O-N 3.14Å; T366-D369 PolarHBondContact O-N 3.48Å; T366-N370 WeakPolarHBondContact O-CB 3.43Å; T366-N370 PolarHBondContact O-N 2.78Å |
| 367 | V | 97.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V222 V224 V242 L363 R364 D369 N370 L371 | V222-V367 HydrophobicContact CG1-CB 4.5Å; V222-V367 HydrophobicContact CG1-CG1 3.58Å; V222-V367 HydrophobicContact CG1-CG2 4.11Å; V224-V367 HydrophobicContact CG2-CG2 4.35Å; V242-V367 HydrophobicContact CG1-CG1 4Å; V242-V367 HydrophobicContact CG2-CB 4.41Å; V242-V367 HydrophobicContact CG2-CG1 4.1Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 2.96Å; R364-V367 PolarHBondContact O-N 3.32Å; V367-D369 VanDerWaalsContact C-N 3.34Å; V367-D369 PolarHBondContact O-N 3.25Å; V367-N370 WeakPolarHBondContact O-CB 3.47Å; V367-N370 PolarHBondContact O-N 2.93Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.16Å |
| 368 | H | 97.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 62 Ų | 62 | 27% | 0.269 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.4 | -177 | 80.6 | 0 | 0 | 0 | 112.5 | D245 R364 M365 L371 K372 | D245-H368 IonicContact OD1-ND1 3.98Å; D245-H368 IonicContact OD2-CE1 2.61Å; D245-H368 IonicContact OD2-CG 3.69Å; D245-H368 IonicContact OD2-ND1 3.47Å; D245-H368 PolarHBondContact OD2-ND1 3.36Å; R364-H368 VanDerWaalsContact O-CB 3.25Å; R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-N 3.25Å; M365-H368 PolarHBondContact O-N 3.12Å; H368-L371 PolarHBondContact O-N 2.93Å; H368-K372 WeakPolarHBondContact CD2-CE 3.39Å; H368-K372 PolarHBondContact CD2-NZ 2.83Å; H368-K372 WeakPolarHBondContact NE2-CE 3.41Å; H368-K372 PolarHBondContact NE2-NZ 2.61Å; H368-K372 WeakPolarHBondContact O-CG 3.2Å; H368-K372 PolarHBondContact O-N 2.82Å |
| 369 | D | 97.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | 178.9 | -73.5 | -20.5 | 0 | 0 | 0 | 113.1 | M365 T366 V367 K372 Q373 | M365-D369 WeakPolarHBondContact O-CB 3.08Å; M365-D369 PolarHBondContact O-N 3.06Å; T366-D369 PolarHBondContact O-N 3.48Å; V367-D369 VanDerWaalsContact C-N 3.34Å; V367-D369 PolarHBondContact O-N 3.25Å; D369-K372 IonicContact OD1-NZ 3.7Å; D369-K372 PolarHBondContact OD1-NZ 3.03Å; D369-Q373 PolarHBondContact O-NE2 3.17Å |
| 370 | N | 97.5 | Very high | 91 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 168.6 | -78 | -15.7 | 0 | 0 | 0 | 111 | Y219 T366 V367 K372 Q373 | Y219-N370 HydrophobicContact CD1-CB 3.91Å; Y219-N370 HydrophobicContact CE1-CB 4.36Å; T366-N370 WeakPolarHBondContact O-CB 3.43Å; T366-N370 PolarHBondContact O-N 2.78Å; V367-N370 WeakPolarHBondContact O-CB 3.47Å; V367-N370 PolarHBondContact O-N 2.93Å; N370-K372 VanDerWaalsContact C-N 3.3Å; N370-K372 PolarHBondContact O-N 3.18Å; N370-Q373 VanDerWaalsContact O-CB 3.27Å; N370-Q373 WeakPolarHBondContact O-CB 3.25Å; N370-Q373 WeakPolarHBondContact O-CG 3.39Å; N370-Q373 PolarHBondContact O-N 3.22Å |
| 371 | L | 96.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 178.8 | -70 | 171.3 | 0 | 0 | 0 | 112.7 | M191 V222 D245 V246 F249 V367 H368 Q373 L374 | M191-L371 HydrophobicContact CE-CD2 4.13Å; M191-L371 HydrophobicContact SD-CD2 4.23Å; V222-L371 HydrophobicContact CG2-CD2 4.25Å; D245-L371 HydrophobicContact CB-CD1 3.67Å; V246-L371 HydrophobicContact CG2-CD1 3.93Å; V246-L371 HydrophobicContact CG2-CD2 4.28Å; F249-L371 HydrophobicContact CD2-CB 3.75Å; F249-L371 HydrophobicContact CD2-CD1 4.37Å; F249-L371 HydrophobicContact CE2-CB 4.16Å; F249-L371 HydrophobicContact CG-CB 4.14Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.16Å; H368-L371 PolarHBondContact O-N 2.93Å; L371-Q373 PolarHBondContact O-N 2.92Å; L371-L374 HydrophobicContact CD2-CD1 3.82Å; L371-L374 VanDerWaalsContact O-CB 3.22Å; L371-L374 WeakPolarHBondContact O-CB 3.37Å; L371-L374 VanDerWaalsContact O-CG 3.28Å; L371-L374 WeakPolarHBondContact O-CG 3.47Å; L371-L374 PolarHBondContact O-N 3.1Å |
| 372 | K | 95.5 | Very high | 88.3 | Confident | 104 Ų | 104 | 75 Ų | 75 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21 | 172.1 | -75.8 | 176.5 | -171.4 | 150.2 | 0 | 114 | F249 H368 D369 N370 L374 | F249-K372 HydrophobicContact CZ-CG 4.1Å; H368-K372 WeakPolarHBondContact CD2-CE 3.39Å; H368-K372 PolarHBondContact CD2-NZ 2.83Å; H368-K372 WeakPolarHBondContact NE2-CE 3.41Å; H368-K372 PolarHBondContact NE2-NZ 2.61Å; H368-K372 WeakPolarHBondContact O-CG 3.2Å; H368-K372 PolarHBondContact O-N 2.82Å; D369-K372 IonicContact OD1-NZ 3.7Å; D369-K372 PolarHBondContact OD1-NZ 3.03Å; N370-K372 VanDerWaalsContact C-N 3.3Å; N370-K372 PolarHBondContact O-N 3.18Å; K372-L374 PolarHBondContact O-N 3.36Å |
| 373 | Q | 95 | Very high | 86.9 | Confident | 104 Ų | 104 | 78 Ų | 78 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.9 | 176.3 | -52.3 | -53.9 | -52.7 | 0 | 0 | 111.9 | Y219 D369 N370 L371 V375 | Y219-Q373 HydrophobicContact CD1-CB 4.2Å; Y219-Q373 HydrophobicContact CD1-CG 4.24Å; Y219-Q373 HydrophobicContact CD2-CB 3.66Å; Y219-Q373 HydrophobicContact CD2-CG 4.37Å; Y219-Q373 HydrophobicContact CE1-CB 4.1Å; Y219-Q373 HydrophobicContact CE1-CG 3.76Å; Y219-Q373 HydrophobicContact CE2-CB 3.54Å; Y219-Q373 HydrophobicContact CE2-CG 3.92Å; Y219-Q373 HydrophobicContact CG-CB 3.99Å; D369-Q373 PolarHBondContact O-NE2 3.17Å; N370-Q373 VanDerWaalsContact O-CB 3.27Å; N370-Q373 WeakPolarHBondContact O-CB 3.25Å; N370-Q373 WeakPolarHBondContact O-CG 3.39Å; N370-Q373 PolarHBondContact O-N 3.22Å; L371-Q373 PolarHBondContact O-N 2.92Å; Q373-V375 PolarHBondContact O-N 2.79Å |
| 374 | L | 91.2 | Very high | 85.6 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | trans | -74.7 | 104.6 | 174.5 | -54.5 | 177.6 | 0 | 0 | 0 | 109.4 | M191 Y220 F249 L371 K372 | M191-L374 HydrophobicContact CE-CD1 3.56Å; Y220-L374 HydrophobicContact CD2-CD2 4.31Å; Y220-L374 HydrophobicContact CE1-CD2 4.15Å; Y220-L374 HydrophobicContact CE2-CD2 3.75Å; F249-L374 HydrophobicContact CB-CD1 4.24Å; L371-L374 HydrophobicContact CD2-CD1 3.82Å; L371-L374 VanDerWaalsContact O-CB 3.22Å; L371-L374 WeakPolarHBondContact O-CB 3.37Å; L371-L374 VanDerWaalsContact O-CG 3.28Å; L371-L374 WeakPolarHBondContact O-CG 3.47Å; L371-L374 PolarHBondContact O-N 3.1Å; K372-L374 PolarHBondContact O-N 3.36Å | ||
| 375 | V | 76.1 | Confident | 84.3 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | trans | -68.8 | -39.7 | -176.9 | -159.8 | 0 | 0 | 0 | 0 | 111.3 | Q373 | Q373-V375 PolarHBondContact O-N 2.79Š| ||
| 376 | H | 78.5 | Confident | 82.9 | Confident | 146 Ų | 146 | 83.6 Ų | 83.6 | 68% | 0.676 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -147.2 | 155.2 | -177.6 | -34.1 | -47.6 | 0 | 0 | 0 | 109.7 | ||
| 377 | A | 76.2 | Confident | 81.4 | Confident | 27 Ų | 27 | 89.4 Ų | 89.4 | 22% | 0.223 | 48% | 0.478 | C | S | . | . | trans | -68.6 | 126 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109 | R251 | R251-A377 HydrophobicContact CB-CB 4.4Š| ||
| 378 | P | 76 | Confident | 80 | Confident | 14 Ų | 14 | 90.1 Ų | 90.1 | 9% | 0.091 | 48% | 0.482 | C | S | . | . | trans | -63 | 145.3 | -176.2 | 24.5 | -33.1 | 0 | 0 | 0 | 111.1 | R166 D188 Y220 Y250 | R166-P378 WeakPolarHBondContact CD-O 3.37Å; R166-P378 HydrophobicContact CG-CG 4.11Å; R166-P378 PolarHBondContact NH1-O 3.35Å; D188-P378 HydrophobicContact CB-CB 4.03Å; D188-P378 HydrophobicContact CB-CG 3.95Å; D188-P378 VanDerWaalsContact O-CG 3.29Å; D188-P378 WeakPolarHBondContact O-CG 3.4Å; D188-P378 WeakPolarHBondContact OD2-CB 3.21Å; Y220-P378 HydrophobicContact CE1-CG 3.93Å; Y220-P378 WeakPolarHBondContact OH-CD 3.48Å; Y250-P378 HydrophobicContact CE2-CG 3.97Å | ||
| 379 | S | 76.3 | Confident | 78.3 | Confident | 106 Ų | 106 | 90.2 Ų | 90.2 | 74% | 0.741 | 48% | 0.48 | S | S | * | . | trans | -127.9 | 156 | 178 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 380 | V | 75.6 | Confident | 76.7 | Confident | 67 Ų | 67 | 93 Ų | 93 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | trans | -120.8 | 143.1 | -179.1 | -168.7 | 0 | 0 | 0 | 0 | 108 | P165 R189 | P165-V380 HydrophobicContact CB-CG2 4.46Å; R189-V380 HydrophobicContact CG-CG2 4.22Å | ||
| 381 | Q | 68.3 | Low | 75 | Confident | 173 Ų | 173 | 93.6 Ų | 93.6 | 81% | 0.808 | 50% | 0.502 | S | S | * | . | trans | -63.2 | 143.4 | 171.1 | -72.1 | -174.6 | -18.1 | 0 | 0 | 110.3 | T383 | Q381-T383 PolarHBondContact O-N 3.31Å; Q381-T383 PolarHBondContact O-OG1 3.37Å | ||
| 382 | F | 70.6 | Confident | 73 | Confident | 218 Ų | 218 | 95.1 Ų | 95.1 | 96% | 0.956 | 51% | 0.51 | S | S | * | . | trans | -56.6 | 130.2 | 174.4 | -68.7 | -78.5 | 0 | 0 | 0 | 110.1 | ||||
| 383 | T | 69.7 | Low | 71.2 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | trans | -132 | 141.6 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 107.8 | Q381 V385 | Q381-T383 PolarHBondContact O-N 3.31Å; Q381-T383 PolarHBondContact O-OG1 3.37Å; T383-V385 PolarHBondContact O-N 3.49Å | ||
| 384 | D | 69.4 | Low | 69 | Low | 162 Ų | 162 | 94.5 Ų | 94.5 | 87% | 0.866 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 124.4 | 173 | -74.1 | -34.5 | 0 | 0 | 0 | 109.9 | ||
| 385 | V | 69.7 | Low | 66.8 | Low | 52 Ų | 52 | 98.6 Ų | 98.6 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 119.2 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 108 | K162 Y163 T383 | K162-V385 HydrophobicContact CB-CG1 4.07Å; K162-V385 VanDerWaalsContact O-CG2 3.27Å; K162-V385 WeakPolarHBondContact O-CG2 3.45Å; Y163-V385 HydrophobicContact CE1-CB 4.38Å; Y163-V385 HydrophobicContact CE1-CG1 4.21Å; Y163-V385 HydrophobicContact CE2-CG1 3.97Å; T383-V385 PolarHBondContact O-N 3.49Å |
| 386 | P | 69.4 | Low | 65.2 | Low | 103 Ų | 103 | 99.5 Ų | 99.5 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 144.3 | 175.7 | -23.9 | 33.6 | 0 | 0 | 0 | 112.1 | D388 | P386-D388 PolarHBondContact O-N 3.26Å; P386-D388 VanDerWaalsContact O-N 3.08Å |
| 387 | N | 64.5 | Low | 63.3 | Low | 171 Ų | 171 | 97.4 Ų | 97.4 | 91% | 0.914 | 54% | 0.54 | S | S | * | . | trans | -64.2 | 108.4 | 173.6 | -83.6 | -26.5 | 0 | 0 | 0 | 110.5 | ||||
| 388 | D | 69.5 | Low | 61.3 | Low | 23 Ų | 23 | 102.4 Ų | 102.4 | 12% | 0.123 | 56% | 0.564 | C | S | . | * | trans | -114.8 | -16 | -178.7 | 60.2 | 4.4 | 0 | 0 | 0 | 114 | K162 P386 L390 S391 | K162-D388 IonicContact NZ-OD2 3.89Å; K162-D388 PolarHBondContact NZ-OD2 2.84Å; P386-D388 PolarHBondContact O-N 3.26Å; P386-D388 VanDerWaalsContact O-N 3.08Å; D388-L390 PolarHBondContact O-N 3.15Å; D388-S391 PolarHBondContact O-N 3.02Å; D388-S391 VanDerWaalsContact O-N 3.15Å; D388-S391 PolarHBondContact O-OG 3.35Å | ||
| 389 | Y | 60.4 | Low | 59.6 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 24% | 0.239 | 60% | 0.595 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | -45.5 | -174.3 | -172.5 | -105.5 | 0 | 0 | 0 | 113.7 | Y120 N123 V125 F393 | Y120-Y389 HydrophobicContact CD2-CE2 4.41Å; N123-Y389 HydrophobicContact CB-CD2 3.89Å; N123-Y389 HydrophobicContact CB-CE2 3.98Å; N123-Y389 VanDerWaalsContact CG-CD2 3.41Å; N123-Y389 VanDerWaalsContact ND2-CD2 3.3Å; N123-Y389 WeakPolarHBondContact ND2-CD2 3.35Å; V125-Y389 HydrophobicContact CG2-CE2 4.17Å; V125-Y389 WeakPolarHBondContact CG2-OH 3.48Å; Y389-F393 HydrophobicContact CD1-CE2 4.26Å; Y389-F393 AromaticContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CZ 4.46Å; Y389-F393 AromaticContact CZ-CE2 4Å; Y389-F393 WeakPolarHBondContact O-CD2 3.36Å |
| 390 | L | 65.1 | Low | 57.7 | Low | 127 Ų | 127 | 112 Ų | 112 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -20.3 | -177.9 | -69 | 177.9 | 0 | 0 | 0 | 114 | D388 N392 F393 | D388-L390 PolarHBondContact O-N 3.15Å; L390-N392 PolarHBondContact O-N 3.2Å; L390-F393 HydrophobicContact CD2-CD2 4.47Å; L390-F393 PolarHBondContact O-N 3.28Å; L390-F393 VanDerWaalsContact O-N 3.17Å |
| 391 | S | 61.8 | Low | 55.8 | Low | 58 Ų | 58 | 119.3 Ų | 119.3 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.1 | -29.6 | -172.4 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | D388 | D388-S391 PolarHBondContact O-N 3.02Å; D388-S391 VanDerWaalsContact O-N 3.15Å; D388-S391 PolarHBondContact O-OG 3.35Å |
| 392 | N | 54.3 | Low | 54.2 | Low | 32 Ų | 32 | 119.5 Ų | 119.5 | 17% | 0.171 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -80.5 | -27.6 | -179.1 | -42.6 | -65.1 | 0 | 0 | 0 | 112.7 | K119 L390 C394 N395 | K119-N392 WeakPolarHBondContact CD-ND2 3.34Å; K119-N392 VanDerWaalsContact NZ-CG 3.3Å; K119-N392 PolarHBondContact NZ-ND2 2.8Å; K119-N392 PolarHBondContact NZ-OD1 2.78Å; L390-N392 PolarHBondContact O-N 3.2Å; N392-C394 PolarHBondContact O-N 3.46Å; N392-N395 PolarHBondContact O-N 2.77Å |
| 393 | F | 57.3 | Low | 52.2 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 48% | 0.478 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.9 | -17.3 | 175.5 | -65.2 | -79.9 | 0 | 0 | 0 | 112.4 | Y389 L390 | Y389-F393 HydrophobicContact CD1-CE2 4.26Å; Y389-F393 AromaticContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CZ 4.46Å; Y389-F393 AromaticContact CZ-CE2 4Å; Y389-F393 WeakPolarHBondContact O-CD2 3.36Å; L390-F393 HydrophobicContact CD2-CD2 4.47Å; L390-F393 PolarHBondContact O-N 3.28Å; L390-F393 VanDerWaalsContact O-N 3.17Å |
| 394 | C | 48.2 | Very low | 50.4 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.6 | -22.6 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | N392 D396 S397 | N392-C394 PolarHBondContact O-N 3.46Å; C394-D396 VanDerWaalsContact C-N 3.34Å; C394-D396 PolarHBondContact O-N 2.88Å; C394-S397 PolarHBondContact O-OG 3.22Å; C394-S397 VanDerWaalsContact O-OG 3.06Å |
| 395 | N | 45.8 | Very low | 48.7 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -80.6 | -8.6 | -173.3 | -77.4 | -11.7 | 0 | 0 | 0 | 114.6 | N392 S397 N398 | N392-N395 PolarHBondContact O-N 2.77Å; N395-S397 PolarHBondContact O-N 3.35Å; N395-N398 PolarHBondContact O-N 2.97Å; N395-N398 VanDerWaalsContact O-N 3.16Å |
| 396 | D | 43.4 | Very low | 46.9 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -60.4 | -9.8 | 172.1 | -93 | -7.7 | 0 | 0 | 0 | 113.5 | C394 | C394-D396 VanDerWaalsContact C-N 3.34Å; C394-D396 PolarHBondContact O-N 2.88Å |
| 397 | S | 38.1 | Very low | 45.2 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -86.1 | -11.8 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | C394 N395 | C394-S397 PolarHBondContact O-OG 3.22Å; C394-S397 VanDerWaalsContact O-OG 3.06Å; N395-S397 PolarHBondContact O-N 3.35Å |
| 398 | N | 33.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | trans | -111.2 | 56.7 | 174.8 | -75.1 | -17.5 | 0 | 0 | 0 | 110.6 | N395 E400 | N395-N398 PolarHBondContact O-N 2.97Å; N395-N398 VanDerWaalsContact O-N 3.16Å; N398-E400 PolarHBondContact O-N 3.24Å | ||
| 399 | D | 40.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -60.7 | 95 | 151.5 | -107.9 | -19.5 | 0 | 0 | 0 | 106.3 | R401 | D399-R401 PolarHBondContact O-N 3.1Š| ||
| 400 | E | 36.7 | Very low | 40.7 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -59 | 84.1 | 156.2 | -73 | -170.3 | 169.6 | 0 | 0 | 106.1 | N398 E402 | N398-E400 PolarHBondContact O-N 3.24Å; E400-E402 PolarHBondContact O-N 2.88Å | ||
| 401 | R | 35.8 | Very low | 39.3 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -52.4 | 110.6 | 168.2 | -64.4 | -177.5 | -153.8 | 174.4 | 6.2 | 105.6 | D399 K403 | D399-R401 PolarHBondContact O-N 3.1Å; R401-K403 PolarHBondContact O-N 3.09Å | ||
| 402 | E | 33.6 | Very low | 37.9 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -40.2 | 108.1 | 168.4 | -68.8 | 178.7 | 160.8 | 0 | 0 | 107.4 | E400 P404 | E400-E402 PolarHBondContact O-N 2.88Å; E402-P404 WeakPolarHBondContact O-CD 3.33Å | ||
| 403 | K | 29.1 | Very low | 37.1 | Very low | 194 Ų | 194 | 155.9 Ų | 155.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -62.7 | 120.4 | 173.2 | -75.2 | -175.7 | 177.8 | 179.7 | 0 | 105.7 | R401 N405 | R401-K403 PolarHBondContact O-N 3.09Å; K403-N405 PolarHBondContact O-N 2.95Å | ||
| 404 | P | 32.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 127 | 176.9 | -16.5 | 28.6 | 0 | 0 | 0 | 107.5 | E402 E406 | E402-P404 WeakPolarHBondContact O-CD 3.33Å; P404-E406 PolarHBondContact O-N 3.08Å | ||
| 405 | N | 33.7 | Very low | 35.7 | Very low | 157 Ų | 157 | 159 Ų | 159 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -44.1 | 116.6 | 173.6 | -97.4 | -20.5 | 0 | 0 | 0 | 109.2 | K403 M407 | K403-N405 PolarHBondContact O-N 2.95Å; N405-M407 VanDerWaalsContact C-N 3.26Å; N405-M407 PolarHBondContact O-N 3.42Å | ||
| 406 | E | 31.9 | Very low | 35.3 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -62 | 91.7 | 169.4 | -70.9 | 178.6 | 173.3 | 0 | 0 | 107.4 | P404 F408 | P404-E406 PolarHBondContact O-N 3.08Å; E406-F408 PolarHBondContact O-N 2.96Å | ||
| 407 | M | 33.3 | Very low | 35.4 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -68.9 | 113.7 | 165.9 | -87.4 | -178.3 | 55.2 | 0 | 0 | 107.7 | N405 V409 | N405-M407 VanDerWaalsContact C-N 3.26Å; N405-M407 PolarHBondContact O-N 3.42Å; M407-V409 PolarHBondContact O-N 3.32Å | ||
| 408 | F | 33.4 | Very low | 35.4 | Very low | 201 Ų | 201 | 162.1 Ų | 162.1 | 88% | 0.882 | 85% | 0.851 | S | S | * | * | trans | -42.3 | 120.1 | 171.5 | -74.9 | -96.4 | 0 | 0 | 0 | 111.5 | E406 E410 | E406-F408 PolarHBondContact O-N 2.96Å; F408-E410 PolarHBondContact O-N 3.05Å | ||
| 409 | V | 31.7 | Very low | 35.5 | Very low | 135 Ų | 135 | 163.6 Ų | 163.6 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -79 | 104.5 | 165.5 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | M407 | M407-V409 PolarHBondContact O-N 3.32Š| ||
| 410 | E | 35.3 | Very low | 35.2 | Very low | 185 Ų | 185 | 164.8 Ų | 164.8 | 86% | 0.864 | 86% | 0.863 | S | S | * | * | trans | -83.7 | 122.1 | 161.7 | -80.3 | -172.8 | 162.1 | 0 | 0 | 108.5 | F408 | F408-E410 PolarHBondContact O-N 3.05Š| ||
| 411 | E | 35.3 | Very low | 35.1 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 79% | 0.794 | 86% | 0.864 | S | S | * | * | trans | -61.1 | 127.6 | -175.5 | -68.3 | 173.8 | 145.6 | 0 | 0 | 112.5 | Q413 | E411-Q413 PolarHBondContact O-N 3.46Å; E411-Q413 VanDerWaalsContact O-N 3.14Å | ||
| 412 | E | 33.2 | Very low | 35.1 | Very low | 197 Ų | 197 | 160.6 Ų | 160.6 | 92% | 0.921 | 87% | 0.866 | S | S | * | * | trans | -64.2 | 105.6 | 159.4 | -78.1 | -178.9 | 148.4 | 0 | 0 | 109.1 | D414 | E412-D414 PolarHBondContact O-N 3.48Š| ||
| 413 | Q | 37.8 | Very low | 35.2 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.822 | 87% | 0.869 | S | S | * | * | trans | -80.9 | 98.4 | 162.1 | -81 | -171.2 | -3.7 | 0 | 0 | 109.8 | E411 S415 | E411-Q413 PolarHBondContact O-N 3.46Å; E411-Q413 VanDerWaalsContact O-N 3.14Å; Q413-S415 PolarHBondContact O-N 3.01Å | ||
| 414 | D | 36.3 | Very low | 35.6 | Very low | 148 Ų | 148 | 157.3 Ų | 157.3 | 79% | 0.791 | 87% | 0.871 | S | S | * | * | trans | -47.5 | 118.6 | 160.9 | -126.4 | -19.4 | 0 | 0 | 0 | 110.6 | E412 | E412-D414 PolarHBondContact O-N 3.48Š| ||
| 415 | S | 39.9 | Very low | 35.8 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 79% | 0.79 | 88% | 0.879 | S | S | * | * | trans | -125.2 | 83.6 | 163.4 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | Q413 A417 | Q413-S415 PolarHBondContact O-N 3.01Å; S415-A417 PolarHBondContact O-N 3.4Å | ||
| 416 | T | 37 | Very low | 36 | Very low | 132 Ų | 132 | 160.5 Ų | 160.5 | 81% | 0.81 | 88% | 0.882 | S | S | * | * | trans | -74.2 | 103.8 | 157.7 | 35.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 417 | A | 44.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 158.4 Ų | 158.4 | 82% | 0.818 | 88% | 0.883 | S | S | * | * | trans | -98.2 | 124.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S415 | S415-A417 PolarHBondContact O-N 3.4Š| ||
| 418 | A | 37.9 | Very low | 36.6 | Very low | 177 Ų | 177 | 157.5 Ų | 157.5 | 100% | 1.463 | 89% | 0.889 | S | S | * | * | trans | -57.1 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 418 of 418 residues in 238.1 ms
(Link to these results)