| 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 | 41.5 | Very low | 72.3 | Confident | 179 Ų | 179 | 97 Ų | 97 | 88% | 0.882 | 47% | 0.473 | S | S | * | . | 0 | 138 | 0 | -65.2 | 178.1 | 83 | 0 | 0 | 107.2 | L8 | M1-L8 PolarHBondContact N-O 2.91Å; M1-L8 PolarHBondContact O-N 3.15Å | |||
| 2 | S | 45.7 | Very low | 74.3 | Confident | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 97.8 | 180 | 161.5 | 0 | 0 | 0 | 0 | 107.8 | R6 | S2-R6 WeakPolarHBondContact CA-O 3.3Å |
| 3 | D | 48.1 | Very low | 76.1 | Confident | 126 Ų | 126 | 90.5 Ų | 90.5 | 67% | 0.674 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 146.1 | 156.7 | -147.7 | -15.8 | 0 | 0 | 0 | 106.5 | D5 R6 | D3-D5 PolarHBondContact O-N 3.03Å; D3-R6 PolarHBondContact N-O 3.43Å; D3-R6 PolarHBondContact O-N 3.15Å; D3-R6 VanDerWaalsContact O-O 3.13Å |
| 4 | K | 58.5 | Low | 77.6 | Confident | 181 Ų | 181 | 93.6 Ų | 93.6 | 79% | 0.787 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -25.7 | -152.6 | -77.4 | -177.9 | 174.5 | 178.1 | 0 | 118.1 | ||
| 5 | D | 66.3 | Low | 78.8 | Confident | 142 Ų | 142 | 89 Ų | 89 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 1.1 | 177.9 | -63.9 | -42.7 | 0 | 0 | 0 | 115.6 | D3 | D3-D5 PolarHBondContact O-N 3.03Š|
| 6 | R | 75.9 | Confident | 79.8 | Confident | 128 Ų | 128 | 92.4 Ų | 92.4 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.2 | -169.1 | -60 | -172.6 | -176 | -177 | 2.4 | 112.5 | S2 D3 M30 | S2-R6 WeakPolarHBondContact CA-O 3.3Å; D3-R6 PolarHBondContact N-O 3.43Å; D3-R6 PolarHBondContact O-N 3.15Å; D3-R6 VanDerWaalsContact O-O 3.13Å; R6-M30 HydrophobicContact CB-SD 4.37Å |
| 7 | V | 82.9 | Confident | 80.7 | Confident | 19 Ų | 19 | 89.2 Ų | 89.2 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | F9 P59 F61 F98 | V7-F9 HydrophobicContact CB-CE2 4.27Å; V7-F9 HydrophobicContact CB-CZ 4.5Å; V7-F9 HydrophobicContact CG1-CD2 4.38Å; V7-F9 HydrophobicContact CG1-CE1 4.29Å; V7-F9 HydrophobicContact CG1-CE2 3.89Å; V7-F9 HydrophobicContact CG1-CZ 3.84Å; V7-P59 HydrophobicContact CB-CG 4.19Å; V7-P59 HydrophobicContact CG2-CB 3.87Å; V7-P59 HydrophobicContact CG2-CG 4.09Å; V7-F61 HydrophobicContact CG2-CE2 3.77Å; V7-F98 HydrophobicContact CG1-CE2 4.03Å |
| 8 | L | 89.9 | Confident | 81.4 | Confident | 46 Ų | 46 | 90.7 Ų | 90.7 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.7 | 168.6 | -70.5 | 164 | 0 | 0 | 0 | 110.7 | M1 M30 | M1-L8 PolarHBondContact N-O 2.91Å; M1-L8 PolarHBondContact O-N 3.15Å; L8-M30 HydrophobicContact CD2-CG 3.54Å; L8-M30 HydrophobicContact CD2-SD 4.48Å; L8-M30 HydrophobicContact CG-CG 4.48Å |
| 9 | F | 93.8 | Very high | 81.9 | Confident | 14 Ų | 14 | 90.4 Ų | 90.4 | 6% | 0.061 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.2 | 172 | -60.7 | -89.7 | 0 | 0 | 0 | 109.1 | V7 Q28 R29 H31 F34 P59 T101 V102 H105 | V7-F9 HydrophobicContact CB-CE2 4.27Å; V7-F9 HydrophobicContact CB-CZ 4.5Å; V7-F9 HydrophobicContact CG1-CD2 4.38Å; V7-F9 HydrophobicContact CG1-CE1 4.29Å; V7-F9 HydrophobicContact CG1-CE2 3.89Å; V7-F9 HydrophobicContact CG1-CZ 3.84Å; F9-Q28 CarbonylContact O-C 3.59Å; F9-Q28 WeakPolarHBondContact O-CA 3.42Å; F9-R29 WeakPolarHBondContact CB-O 3.41Å; F9-R29 WeakPolarHBondContact CD2-O 3.42Å; F9-R29 PolarHBondContact N-O 3.36Å; F9-R29 PolarHBondContact O-N 3.1Å; F9-H31 HydrophobicContact CE2-CB 4.3Å; F9-F34 HydrophobicContact CB-CE2 4.36Å; F9-F34 HydrophobicContact CB-CZ 4.46Å; F9-F34 AromaticContact CD2-CE2 3.9Å; F9-F34 HydrophobicContact CD2-CE2 3.9Å; F9-F34 HydrophobicContact CG-CE2 4.21Å; F9-F34 HydrophobicContact CG-CZ 4.44Å; F9-P59 HydrophobicContact CE2-CG 4.37Å; F9-P59 HydrophobicContact CZ-CG 3.99Å; F9-T101 HydrophobicContact CE1-CG2 4Å; F9-T101 HydrophobicContact CZ-CG2 3.77Å; F9-V102 HydrophobicContact CD1-CG2 4.43Å; F9-V102 HydrophobicContact CE1-CG2 4.28Å; F9-H105 HydrophobicContact CD1-CB 4.39Å; F9-H105 HydrophobicContact CE1-CB 4.19Å; F9-H105 AromaticContact CE1-CD2 3.98Å; F9-H105 AromaticContact CE1-CG 3.73Å; F9-H105 AromaticContact CE1-ND1 3.79Å; F9-H105 AromaticContact CE2-CD2 3.8Å; F9-H105 AromaticContact CE2-NE2 3.68Å; F9-H105 AromaticContact CZ-CD2 3.62Å; F9-H105 AromaticContact CZ-CE1 3.51Å; F9-H105 AromaticContact CZ-CG 3.78Å; F9-H105 AromaticContact CZ-ND1 3.69Å; F9-H105 AromaticContact CZ-NE2 3.46Å; F9-H105 WeakPolarHBondContact CZ-NE2 3.34Å |
| 10 | K | 95.3 | Very high | 82.5 | Confident | 147 Ų | 147 | 87 Ų | 87 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119 | 167.7 | -174.3 | 179.2 | 177.8 | -176.6 | 0 | 107.8 | D26 | K10-D26 VanDerWaalsContact CE-OD1 3.27Å; K10-D26 WeakPolarHBondContact CE-OD1 3.45Å; K10-D26 IonicContact NZ-OD1 3.13Å |
| 11 | I | 96.9 | Very high | 83 | Confident | 17 Ų | 17 | 91.3 Ų | 91.3 | 9% | 0.087 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.2 | -179 | -55.6 | 170.6 | 0 | 0 | 0 | 107.3 | D26 V27 R29 F34 L109 F127 L128 | I11-D26 WeakPolarHBondContact O-CA 3.36Å; I11-V27 HydrophobicContact CB-CG2 4.03Å; I11-V27 HydrophobicContact CD1-CG2 4.46Å; I11-V27 PolarHBondContact N-O 2.9Å; I11-V27 PolarHBondContact O-N 3.45Å; I11-R29 HydrophobicContact CD1-CB 3.88Å; I11-R29 HydrophobicContact CD1-CG 3.59Å; I11-F34 HydrophobicContact CD1-CZ 3.92Å; I11-L109 HydrophobicContact CD1-CD1 3.83Å; I11-L109 HydrophobicContact CG1-CD1 4.23Å; I11-L109 HydrophobicContact CG2-CD1 4.07Å; I11-F127 HydrophobicContact CD1-CE1 3.54Å; I11-F127 HydrophobicContact CD1-CZ 3.84Å; I11-L128 HydrophobicContact CG2-CD2 4.04Å |
| 12 | H | 97.1 | Very high | 85.4 | Confident | 94 Ų | 94 | 88 Ų | 88 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.6 | 173.6 | -176.7 | 72.8 | 0 | 0 | 0 | 108.7 | K14 E24 D26 | H12-K14 WeakPolarHBondContact NE2-CE 3.44Å; H12-E24 IonicContact NE2-OE2 3.41Å; H12-D26 WeakPolarHBondContact CA-OD1 3.46Å; H12-D26 VanDerWaalsContact CB-OD1 3.32Å; H12-D26 WeakPolarHBondContact CB-OD1 3.46Å; H12-D26 IonicContact CG-OD1 2.72Å; H12-D26 IonicContact ND1-OD1 3.22Å; H12-D26 PolarHBondContact ND1-OD1 2.98Å; H12-D26 IonicContact ND1-OD2 3.97Å; H12-D26 PolarHBondContact ND1-OD2 3.4Å |
| 13 | T | 97.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 88.8 Ų | 88.8 | 9% | 0.092 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.5 | -177 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | F20 E24 C25 L128 | T13-F20 HydrophobicContact CG2-CE1 4.36Å; T13-E24 VanDerWaalsContact O-CA 3.27Å; T13-E24 WeakPolarHBondContact O-CA 3.48Å; T13-C25 PolarHBondContact N-O 3.39Å; T13-C25 PolarHBondContact O-N 3.21Å; T13-L128 HydrophobicContact CG2-CB 4.38Å; T13-L128 HydrophobicContact CG2-CD1 4.06Å |
| 14 | K | 97.1 | Very high | 90.1 | Very high | 134 Ų | 134 | 87.1 Ų | 87.1 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.3 | 166.8 | -58.4 | -164.8 | 174.7 | -145.5 | 0 | 109 | H12 S23 E24 | H12-K14 WeakPolarHBondContact NE2-CE 3.44Å; K14-S23 CarbonylContact C-O 3.59Å; K14-S23 WeakPolarHBondContact CA-O 3.32Å; K14-E24 HydrophobicContact CB-CG 4.46Å; K14-E24 HydrophobicContact CD-CG 4.27Å; K14-E24 WeakPolarHBondContact CD-OE1 3.35Å; K14-E24 VanDerWaalsContact CE-CD 3.41Å; K14-E24 VanDerWaalsContact CE-OE1 3.22Å; K14-E24 WeakPolarHBondContact CE-OE1 3.42Å; K14-E24 WeakPolarHBondContact CE-OE2 3.49Å; K14-E24 HydrophobicContact CG-CG 3.94Å; K14-E24 IonicContact NZ-OE1 2.97Å; K14-E24 PolarHBondContact NZ-OE1 3.49Å; K14-E24 IonicContact NZ-OE2 3.52Å; K14-E24 PolarHBondContact NZ-OE2 2.88Å; K14-E24 VanDerWaalsContact NZ-OE2 3.13Å |
| 15 | T | 96.2 | Very high | 91.8 | Very high | 25 Ų | 25 | 79.1 Ų | 79.1 | 15% | 0.153 | 40% | 0.401 | C | S | . | . | trans | -146.2 | 149.5 | -172.7 | -174 | 0 | 0 | 0 | 0 | 112 | L17 F20 S23 | T15-L17 WeakPolarHBondContact OG1-CB 3.44Å; T15-L17 PolarHBondContact OG1-N 3.26Å; T15-L17 VanDerWaalsContact OG1-N 3.1Å; T15-F20 HydrophobicContact CG2-CB 3.77Å; T15-F20 HydrophobicContact CG2-CD1 3.84Å; T15-F20 HydrophobicContact CG2-CD2 3.76Å; T15-F20 HydrophobicContact CG2-CE1 4.34Å; T15-F20 HydrophobicContact CG2-CE2 4.28Å; T15-F20 HydrophobicContact CG2-CG 3.52Å; T15-S23 PolarHBondContact N-O 3.17Å | ||
| 16 | T | 95.1 | Very high | 93.2 | Very high | 143 Ų | 143 | 76 Ų | 76 | 88% | 0.877 | 38% | 0.384 | S | S | * | . | trans | -108.3 | 3.4 | 170.6 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | L | 94.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | trans | -71.4 | 128.8 | 178.4 | -67.1 | 174.8 | 0 | 0 | 0 | 109.9 | T15 D19 F20 K119 | T15-L17 WeakPolarHBondContact OG1-CB 3.44Å; T15-L17 PolarHBondContact OG1-N 3.26Å; T15-L17 VanDerWaalsContact OG1-N 3.1Å; L17-D19 PolarHBondContact O-N 3.32Å; L17-F20 HydrophobicContact CB-CD2 3.87Å; L17-F20 HydrophobicContact CB-CE2 4.13Å; L17-F20 HydrophobicContact CD1-CE2 4Å; L17-F20 PolarHBondContact O-N 2.91Å; L17-K119 WeakPolarHBondContact CD1-O 3.49Å | ||
| 18 | P | 93.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 74.4 Ų | 74.4 | 75% | 0.753 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.8 | -175 | 29.9 | -36.7 | 0 | 0 | 0 | 113.3 | F20 | P18-F20 PolarHBondContact O-N 3.13Š|
| 19 | D | 91.6 | Very high | 95 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14 | -178.3 | -67.7 | -34.3 | 0 | 0 | 0 | 113.1 | L17 R125 | L17-D19 PolarHBondContact O-N 3.32Å; D19-R125 VanDerWaalsContact O-CD 3.26Å; D19-R125 WeakPolarHBondContact O-CD 3.18Å; D19-R125 PolarHBondContact O-NH1 3.46Å |
| 20 | F | 93.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -85.7 | 141.8 | 174.2 | -73.8 | -107.5 | 0 | 0 | 0 | 110.3 | T13 T15 L17 P18 Q22 R125 L128 E129 | T13-F20 HydrophobicContact CG2-CE1 4.36Å; T15-F20 HydrophobicContact CG2-CB 3.77Å; T15-F20 HydrophobicContact CG2-CD1 3.84Å; T15-F20 HydrophobicContact CG2-CD2 3.76Å; T15-F20 HydrophobicContact CG2-CE1 4.34Å; T15-F20 HydrophobicContact CG2-CE2 4.28Å; T15-F20 HydrophobicContact CG2-CG 3.52Å; L17-F20 HydrophobicContact CB-CD2 3.87Å; L17-F20 HydrophobicContact CB-CE2 4.13Å; L17-F20 HydrophobicContact CD1-CE2 4Å; L17-F20 PolarHBondContact O-N 2.91Å; P18-F20 PolarHBondContact O-N 3.13Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.92Å; F20-R125 HydrophobicContact CD1-CG 4.19Å; F20-R125 HydrophobicContact CD2-CG 4.26Å; F20-R125 HydrophobicContact CE1-CG 3.95Å; F20-R125 HydrophobicContact CE2-CG 4.01Å; F20-R125 HydrophobicContact CG-CG 4.35Å; F20-R125 HydrophobicContact CZ-CB 4.26Å; F20-R125 HydrophobicContact CZ-CG 3.85Å; F20-L128 HydrophobicContact CE1-CB 4.07Å; F20-L128 HydrophobicContact CE1-CD1 4.37Å; F20-L128 HydrophobicContact CZ-CD1 4.14Å; F20-E129 WeakPolarHBondContact CA-OE1 3.47Å; F20-E129 HydrophobicContact CD1-CB 4.34Å |
| 21 | K | 92.5 | Very high | 94.7 | Very high | 179 Ų | 179 | 66.5 Ų | 66.5 | 78% | 0.778 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -64.8 | -33.4 | 174.9 | -61 | 174.6 | -175.1 | 174.5 | 0 | 111.9 | E129 | K21-E129 WeakPolarHBondContact CA-OE1 3.49Å; K21-E129 VanDerWaalsContact CB-OE1 3.29Å; K21-E129 WeakPolarHBondContact CB-OE1 3.39Å; K21-E129 PolarHBondContact N-OE1 2.73Å |
| 22 | Q | 92.9 | Very high | 94.5 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | trans | -134.1 | 144.7 | -178.4 | -63.8 | 179.1 | -6.1 | 0 | 0 | 110.3 | F20 E24 | F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.92Å; Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 3.22Å; Q22-E24 PolarHBondContact OE1-O 3.31Å | ||
| 23 | S | 94.3 | Very high | 94.3 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -71.7 | -23.4 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 113 | K14 T15 | K14-S23 CarbonylContact C-O 3.59Å; K14-S23 WeakPolarHBondContact CA-O 3.32Å; T15-S23 PolarHBondContact N-O 3.17Å |
| 24 | E | 96.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 133.3 | 174.2 | -55.4 | -164.3 | 176.1 | 0 | 0 | 109.4 | H12 T13 K14 Q22 | H12-E24 IonicContact NE2-OE2 3.41Å; T13-E24 VanDerWaalsContact O-CA 3.27Å; T13-E24 WeakPolarHBondContact O-CA 3.48Å; K14-E24 HydrophobicContact CB-CG 4.46Å; K14-E24 HydrophobicContact CD-CG 4.27Å; K14-E24 WeakPolarHBondContact CD-OE1 3.35Å; K14-E24 VanDerWaalsContact CE-CD 3.41Å; K14-E24 VanDerWaalsContact CE-OE1 3.22Å; K14-E24 WeakPolarHBondContact CE-OE1 3.42Å; K14-E24 WeakPolarHBondContact CE-OE2 3.49Å; K14-E24 HydrophobicContact CG-CG 3.94Å; K14-E24 IonicContact NZ-OE1 2.97Å; K14-E24 PolarHBondContact NZ-OE1 3.49Å; K14-E24 IonicContact NZ-OE2 3.52Å; K14-E24 PolarHBondContact NZ-OE2 2.88Å; K14-E24 VanDerWaalsContact NZ-OE2 3.13Å; Q22-E24 VanDerWaalsContact C-N 3.27Å; Q22-E24 PolarHBondContact O-N 3.22Å; Q22-E24 PolarHBondContact OE1-O 3.31Å |
| 25 | C | 94.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.9 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | T13 | T13-C25 PolarHBondContact N-O 3.39Å; T13-C25 PolarHBondContact O-N 3.21Å |
| 26 | D | 96.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.6 | 176.3 | -77.6 | -70.1 | 0 | 0 | 0 | 109.4 | K10 I11 H12 | K10-D26 VanDerWaalsContact CE-OD1 3.27Å; K10-D26 WeakPolarHBondContact CE-OD1 3.45Å; K10-D26 IonicContact NZ-OD1 3.13Å; I11-D26 WeakPolarHBondContact O-CA 3.36Å; H12-D26 WeakPolarHBondContact CA-OD1 3.46Å; H12-D26 VanDerWaalsContact CB-OD1 3.32Å; H12-D26 WeakPolarHBondContact CB-OD1 3.46Å; H12-D26 IonicContact CG-OD1 2.72Å; H12-D26 IonicContact ND1-OD1 3.22Å; H12-D26 PolarHBondContact ND1-OD1 2.98Å; H12-D26 IonicContact ND1-OD2 3.97Å; H12-D26 PolarHBondContact ND1-OD2 3.4Å |
| 27 | V | 96.3 | Very high | 94 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 157.7 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 111 | I11 R29 L128 F130 | I11-V27 HydrophobicContact CB-CG2 4.03Å; I11-V27 HydrophobicContact CD1-CG2 4.46Å; I11-V27 PolarHBondContact N-O 2.9Å; I11-V27 PolarHBondContact O-N 3.45Å; V27-R29 HydrophobicContact CG2-CG 4.33Å; V27-L128 VanDerWaalsContact CG1-O 3.24Å; V27-L128 WeakPolarHBondContact CG1-O 3.44Å; V27-L128 WeakPolarHBondContact CG2-O 3.25Å; V27-F130 WeakPolarHBondContact CG1-O 3.34Å |
| 28 | Q | 94.7 | Very high | 94 | Very high | 108 Ų | 108 | 54.3 Ų | 54.3 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133 | 170.9 | -64.3 | -171.4 | -2.6 | 0 | 0 | 109.7 | F9 | F9-Q28 CarbonylContact O-C 3.59Å; F9-Q28 WeakPolarHBondContact O-CA 3.42Å |
| 29 | R | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.9 | 178.1 | -62.5 | -65.1 | 176.9 | -114.2 | 1.5 | 112.5 | F9 I11 V27 E33 F34 V126 F127 F130 E132 | F9-R29 WeakPolarHBondContact CB-O 3.41Å; F9-R29 WeakPolarHBondContact CD2-O 3.42Å; F9-R29 PolarHBondContact N-O 3.36Å; F9-R29 PolarHBondContact O-N 3.1Å; I11-R29 HydrophobicContact CD1-CB 3.88Å; I11-R29 HydrophobicContact CD1-CG 3.59Å; V27-R29 HydrophobicContact CG2-CG 4.33Å; R29-E33 WeakPolarHBondContact CA-OE2 3.37Å; R29-E33 WeakPolarHBondContact CD-OE2 3.5Å; R29-F34 HydrophobicContact CB-CE2 3.9Å; R29-V126 PolarHBondContact NH2-O 2.96Å; R29-F127 HydrophobicContact CB-CE2 4.18Å; R29-F127 HydrophobicContact CB-CZ 3.98Å; R29-F127 HydrophobicContact CG-CD2 4.39Å; R29-F127 HydrophobicContact CG-CE1 4.15Å; R29-F127 HydrophobicContact CG-CE2 3.79Å; R29-F127 HydrophobicContact CG-CZ 3.65Å; R29-F127 PolarHBondContact NE-O 3.08Å; R29-F127 PolarHBondContact NH2-O 3.4Å; R29-F130 VanDerWaalsContact CZ-O 3.31Å; R29-F130 PolarHBondContact NH1-O 3.47Å; R29-F130 PolarHBondContact NH2-O 2.95Å; R29-E132 PolarHBondContact NH1-O 3.38Å; R29-E132 VanDerWaalsContact NH1-O 3.16Å |
| 30 | M | 92.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 158.1 | 168.4 | -64.7 | -164.3 | -65 | 0 | 0 | 110.8 | R6 L8 E32 E33 F34 | R6-M30 HydrophobicContact CB-SD 4.37Å; L8-M30 HydrophobicContact CD2-CG 3.54Å; L8-M30 HydrophobicContact CD2-SD 4.48Å; L8-M30 HydrophobicContact CG-CG 4.48Å; M30-E32 PolarHBondContact O-N 3.41Å; M30-E33 HydrophobicContact CB-CG 4.42Å; M30-E33 PolarHBondContact N-OE2 3.23Å; M30-E33 WeakPolarHBondContact O-CB 3.33Å; M30-E33 PolarHBondContact O-N 2.9Å; M30-F34 VanDerWaalsContact O-CD2 3.31Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å |
| 31 | H | 92 | Very high | 94.3 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.1 | -39.6 | 177.8 | 176.1 | 65.5 | 0 | 0 | 0 | 112.7 | F9 E33 F34 V35 P56 K58 P59 H105 | F9-H31 HydrophobicContact CE2-CB 4.3Å; H31-E33 PolarHBondContact O-N 3.29Å; H31-F34 WeakPolarHBondContact O-CB 3.16Å; H31-F34 PolarHBondContact O-N 2.92Å; H31-V35 PolarHBondContact O-N 3.09Å; H31-P56 PolarHBondContact CE1-O 3Å; H31-P56 VanDerWaalsContact CE1-O 3.22Å; H31-K58 WeakPolarHBondContact NE2-CA 3.39Å; H31-P59 HydrophobicContact CB-CG 4.38Å; H31-H105 AromaticContact ND1-CE1 3.78Å; H31-H105 AromaticContact ND1-NE2 3.05Å; H31-H105 PolarHBondContact ND1-NE2 3.23Å |
| 32 | E | 91.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60 | -28.2 | 178.2 | -69.4 | 72.2 | -161.8 | 0 | 0 | 113 | M30 V35 W36 | M30-E32 PolarHBondContact O-N 3.41Å; E32-V35 PolarHBondContact O-N 3.32Å; E32-W36 PolarHBondContact O-N 3.19Å |
| 33 | E | 93.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.8 | -29.4 | 176.7 | -56.8 | -179.5 | 97.4 | 0 | 0 | 111.6 | R29 M30 H31 L37 F127 L134 V136 | R29-E33 WeakPolarHBondContact CA-OE2 3.37Å; R29-E33 WeakPolarHBondContact CD-OE2 3.5Å; M30-E33 HydrophobicContact CB-CG 4.42Å; M30-E33 PolarHBondContact N-OE2 3.23Å; M30-E33 WeakPolarHBondContact O-CB 3.33Å; M30-E33 PolarHBondContact O-N 2.9Å; H31-E33 PolarHBondContact O-N 3.29Å; E33-L37 WeakPolarHBondContact O-CB 3.12Å; E33-L37 PolarHBondContact O-N 3.04Å; E33-F127 HydrophobicContact CB-CD2 4.43Å; E33-F127 HydrophobicContact CB-CE2 3.9Å; E33-L134 HydrophobicContact CB-CD1 4.31Å; E33-L134 VanDerWaalsContact OE1-CB 3.24Å; E33-L134 WeakPolarHBondContact OE1-CB 3.46Å; E33-L134 WeakPolarHBondContact OE1-CG 3.29Å; E33-L134 PolarHBondContact OE1-N 2.92Å; E33-L134 VanDerWaalsContact OE1-N 3.13Å; E33-V136 HydrophobicContact CB-CG2 4.3Å; E33-V136 HydrophobicContact CG-CG2 3.71Å |
| 34 | F | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 170.3 | -69.9 | -104.4 | 0 | 0 | 0 | 111.2 | F9 I11 R29 M30 H31 W36 L37 H38 P56 H105 F108 L109 F127 | F9-F34 HydrophobicContact CB-CE2 4.36Å; F9-F34 HydrophobicContact CB-CZ 4.46Å; F9-F34 AromaticContact CD2-CE2 3.9Å; F9-F34 HydrophobicContact CD2-CE2 3.9Å; F9-F34 HydrophobicContact CG-CE2 4.21Å; F9-F34 HydrophobicContact CG-CZ 4.44Å; I11-F34 HydrophobicContact CD1-CZ 3.92Å; R29-F34 HydrophobicContact CB-CE2 3.9Å; M30-F34 VanDerWaalsContact O-CD2 3.31Å; M30-F34 WeakPolarHBondContact O-CD2 3.48Å; H31-F34 WeakPolarHBondContact O-CB 3.16Å; H31-F34 PolarHBondContact O-N 2.92Å; F34-W36 VanDerWaalsContact C-N 3.34Å; F34-L37 PolarHBondContact O-N 3.14Å; F34-H38 WeakPolarHBondContact O-CB 3.4Å; F34-H38 PolarHBondContact O-N 3.06Å; F34-P56 HydrophobicContact CB-CG 4.18Å; F34-P56 HydrophobicContact CD1-CG 4.12Å; F34-P56 HydrophobicContact CG-CG 4.35Å; F34-H105 AromaticContact CD1-CD2 3.78Å; F34-H105 AromaticContact CD2-CD2 3.74Å; F34-H105 HydrophobicContact CE1-CB 3.88Å; F34-H105 AromaticContact CE1-CD2 3.75Å; F34-H105 AromaticContact CE2-CD2 3.73Å; F34-H105 AromaticContact CG-CD2 3.77Å; F34-H105 HydrophobicContact CZ-CB 4.08Å; F34-H105 AromaticContact CZ-CD2 3.73Å; F34-F108 AromaticContact CD1-CD1 3.75Å; F34-F108 HydrophobicContact CD1-CD1 3.75Å; F34-F108 HydrophobicContact CD1-CE1 4.05Å; F34-F108 HydrophobicContact CE1-CD1 4.38Å; F34-L109 HydrophobicContact CD1-CD2 4.28Å; F34-L109 HydrophobicContact CE1-CD1 3.79Å; F34-L109 HydrophobicContact CE1-CD2 3.84Å; F34-L109 HydrophobicContact CE1-CG 3.81Å; F34-L109 HydrophobicContact CZ-CD1 4.18Å; F34-F127 AromaticContact CD1-CZ 3.99Å; F34-F127 HydrophobicContact CD1-CZ 3.99Å; F34-F127 HydrophobicContact CD2-CE2 4.33Å; F34-F127 AromaticContact CD2-CZ 3.95Å; F34-F127 HydrophobicContact CD2-CZ 3.95Å; F34-F127 HydrophobicContact CE1-CE1 4.37Å; F34-F127 AromaticContact CE1-CZ 3.88Å; F34-F127 HydrophobicContact CE1-CZ 3.88Å; F34-F127 AromaticContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CG-CE2 4.42Å; F34-F127 HydrophobicContact CG-CZ 4.03Å; F34-F127 HydrophobicContact CZ-CE1 4.43Å; F34-F127 AromaticContact CZ-CZ 3.79Å; F34-F127 HydrophobicContact CZ-CZ 3.79Å |
| 35 | V | 93.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | H31 E32 L37 H38 D39 V55 | H31-V35 PolarHBondContact O-N 3.09Å; E32-V35 PolarHBondContact O-N 3.32Å; V35-L37 PolarHBondContact O-N 2.91Å; V35-H38 PolarHBondContact O-N 3.33Å; V35-D39 WeakPolarHBondContact O-CB 3.4Å; V35-D39 PolarHBondContact O-N 3.47Å; V35-V55 HydrophobicContact CB-CG2 4.39Å; V35-V55 HydrophobicContact CG2-CG2 3.91Å |
| 36 | W | 93.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 27% | 0.265 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.3 | 166.5 | 80.8 | 0 | 0 | 0 | 113.3 | E32 F34 H38 D39 R40 F127 L134 V136 | E32-W36 PolarHBondContact O-N 3.19Å; F34-W36 VanDerWaalsContact C-N 3.34Å; W36-H38 VanDerWaalsContact C-N 3.31Å; W36-H38 PolarHBondContact O-N 2.88Å; W36-D39 PolarHBondContact O-N 2.96Å; W36-R40 WeakPolarHBondContact O-CB 3.33Å; W36-R40 PolarHBondContact O-N 3.27Å; W36-F127 HydrophobicContact CZ3-CB 4.4Å; W36-F127 HydrophobicContact CZ3-CD2 4.5Å; W36-L134 HydrophobicContact CE3-CD1 4.16Å; W36-L134 HydrophobicContact CZ3-CD1 3.88Å; W36-V136 HydrophobicContact CB-CB 4.42Å; W36-V136 HydrophobicContact CB-CG1 3.4Å; W36-V136 HydrophobicContact CB-CG2 4.35Å; W36-V136 VanDerWaalsContact CD1-CG1 3.47Å; W36-V136 HydrophobicContact CD2-CG1 4.35Å; W36-V136 HydrophobicContact CD2-CG2 4.47Å; W36-V136 HydrophobicContact CG-CG1 3.44Å; W36-V136 VanDerWaalsContact CG-CG1 3.44Å; W36-V136 HydrophobicContact CG-CG2 4.28Å |
| 37 | L | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.7 | 174.5 | 60.1 | 0 | 0 | 0 | 110.1 | E33 F34 V35 R40 L41 F108 L109 L112 F124 F127 | E33-L37 WeakPolarHBondContact O-CB 3.12Å; E33-L37 PolarHBondContact O-N 3.04Å; F34-L37 PolarHBondContact O-N 3.14Å; V35-L37 PolarHBondContact O-N 2.91Å; L37-R40 PolarHBondContact O-N 2.95Å; L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CG 4.28Å; L37-L41 HydrophobicContact CG-CD1 4.17Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 2.89Å; L37-F108 HydrophobicContact CD2-CE1 3.96Å; L37-F108 HydrophobicContact CD2-CZ 4.44Å; L37-F108 HydrophobicContact CG-CE1 4.45Å; L37-F108 HydrophobicContact CG-CZ 4.48Å; L37-L109 HydrophobicContact CD2-CD2 4.5Å; L37-L112 HydrophobicContact CD2-CD1 3.85Å; L37-L112 HydrophobicContact CG-CD1 4.34Å; L37-F124 HydrophobicContact CD1-CB 4.22Å; L37-F124 HydrophobicContact CD2-CD2 3.75Å; L37-F124 HydrophobicContact CD2-CE2 4.36Å; L37-F127 HydrophobicContact CB-CD2 4.2Å; L37-F127 HydrophobicContact CD1-CB 4.48Å; L37-F127 HydrophobicContact CD2-CB 4.08Å; L37-F127 HydrophobicContact CD2-CD1 3.84Å; L37-F127 HydrophobicContact CD2-CD2 3.99Å; L37-F127 HydrophobicContact CD2-CE1 4.27Å; L37-F127 HydrophobicContact CD2-CE2 4.39Å; L37-F127 HydrophobicContact CD2-CG 3.69Å |
| 38 | H | 95.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 175.9 | 174.1 | -85.8 | 0 | 0 | 0 | 112.3 | F34 V35 W36 R40 L41 V42 P53 V55 F108 | F34-H38 WeakPolarHBondContact O-CB 3.4Å; F34-H38 PolarHBondContact O-N 3.06Å; V35-H38 PolarHBondContact O-N 3.33Å; W36-H38 VanDerWaalsContact C-N 3.31Å; W36-H38 PolarHBondContact O-N 2.88Å; H38-R40 VanDerWaalsContact C-N 3.32Å; H38-R40 PolarHBondContact O-N 3.39Å; H38-L41 PolarHBondContact O-N 2.91Å; H38-L41 VanDerWaalsContact O-N 3.12Å; H38-V42 WeakPolarHBondContact O-CG2 3.39Å; H38-V42 PolarHBondContact O-N 3.44Å; H38-P53 PolarHBondContact CD2-O 3.36Å; H38-V55 HydrophobicContact CB-CB 4.06Å; H38-V55 HydrophobicContact CB-CG2 4.2Å; H38-V55 PolarHBondContact CD2-N 3Å; H38-F108 HydrophobicContact CB-CE2 4.32Å; H38-F108 HydrophobicContact CB-CZ 4.09Å |
| 39 | D | 92.9 | Very high | 94 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | -179.5 | -74.4 | -2.1 | 0 | 0 | 0 | 110.9 | V35 W36 L41 V42 E43 K139 | V35-D39 WeakPolarHBondContact O-CB 3.4Å; V35-D39 PolarHBondContact O-N 3.47Å; W36-D39 PolarHBondContact O-N 2.96Å; D39-L41 VanDerWaalsContact C-N 3.32Å; D39-L41 PolarHBondContact O-N 2.79Å; D39-V42 PolarHBondContact O-N 2.81Å; D39-E43 WeakPolarHBondContact O-CB 3.39Å; D39-E43 VanDerWaalsContact O-CG 3.31Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 2.85Å; D39-K139 IonicContact OD2-NZ 3.45Å; D39-K139 PolarHBondContact OD2-NZ 2.88Å |
| 40 | R | 93.8 | Very high | 94.1 | Very high | 108 Ų | 108 | 40.7 Ų | 40.7 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.4 | -176.6 | -178 | 173.8 | 96.5 | 1.6 | 112.4 | W36 L37 H38 N44 | W36-R40 WeakPolarHBondContact O-CB 3.33Å; W36-R40 PolarHBondContact O-N 3.27Å; L37-R40 PolarHBondContact O-N 2.95Å; H38-R40 VanDerWaalsContact C-N 3.32Å; H38-R40 PolarHBondContact O-N 3.39Å; R40-N44 WeakPolarHBondContact O-CB 3.48Å; R40-N44 PolarHBondContact O-N 3.4Å; R40-N44 VanDerWaalsContact O-N 3.12Å |
| 41 | L | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 178.3 | -68.6 | 171.3 | 0 | 0 | 0 | 111.8 | L37 H38 D39 N44 Y47 V52 L112 F118 D121 | L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CG 4.28Å; L37-L41 HydrophobicContact CG-CD1 4.17Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 2.89Å; H38-L41 PolarHBondContact O-N 2.91Å; H38-L41 VanDerWaalsContact O-N 3.12Å; D39-L41 VanDerWaalsContact C-N 3.32Å; D39-L41 PolarHBondContact O-N 2.79Å; L41-N44 PolarHBondContact O-N 2.76Å; L41-Y47 HydrophobicContact CD2-CD2 3.96Å; L41-Y47 HydrophobicContact CD2-CE2 3.61Å; L41-V52 HydrophobicContact CB-CG1 3.85Å; L41-V52 HydrophobicContact CB-CG2 4.25Å; L41-V52 HydrophobicContact CD1-CG1 4.3Å; L41-L112 HydrophobicContact CD1-CD1 3.75Å; L41-L112 HydrophobicContact CD1-CD2 3.55Å; L41-L112 HydrophobicContact CD1-CG 4.32Å; L41-F118 HydrophobicContact CD2-CD1 4.04Å; L41-F118 HydrophobicContact CD2-CE1 4.42Å; L41-D121 HydrophobicContact CD2-CB 4.24Å |
| 42 | V | 92.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.261 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | H38 D39 N44 V52 | H38-V42 WeakPolarHBondContact O-CG2 3.39Å; H38-V42 PolarHBondContact O-N 3.44Å; D39-V42 PolarHBondContact O-N 2.81Å; V42-N44 VanDerWaalsContact C-N 3.3Å; V42-V52 HydrophobicContact CG2-CB 3.94Å; V42-V52 HydrophobicContact CG2-CG1 3.95Å; V42-V52 HydrophobicContact CG2-CG2 4.02Å |
| 43 | E | 90.3 | Very high | 94.9 | Very high | 152 Ų | 152 | 36.4 Ų | 36.4 | 71% | 0.71 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -77 | -16 | 178.6 | -69.7 | 176.7 | 176.1 | 0 | 0 | 113.1 | D39 D45 | D39-E43 WeakPolarHBondContact O-CB 3.39Å; D39-E43 VanDerWaalsContact O-CG 3.31Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 2.85Å; E43-D45 PolarHBondContact O-N 3.19Å; E43-D45 VanDerWaalsContact O-N 3.17Å |
| 44 | N | 93.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | trans | -72.4 | 112.1 | 177.9 | -171.3 | -13.3 | 0 | 0 | 0 | 110.6 | R40 L41 V42 A46 Y47 | R40-N44 WeakPolarHBondContact O-CB 3.48Å; R40-N44 PolarHBondContact O-N 3.4Å; R40-N44 VanDerWaalsContact O-N 3.12Å; L41-N44 PolarHBondContact O-N 2.76Å; V42-N44 VanDerWaalsContact C-N 3.3Å; N44-A46 PolarHBondContact O-N 3.09Å; N44-A46 WeakPolarHBondContact OD1-CB 3.49Å; N44-A46 PolarHBondContact OD1-N 2.88Å; N44-Y47 HydrophobicContact CB-CD2 3.59Å; N44-Y47 HydrophobicContact CB-CE2 3.98Å; N44-Y47 HydrophobicContact CB-CG 4.22Å; N44-Y47 WeakPolarHBondContact ND2-CE2 3.29Å; N44-Y47 WeakPolarHBondContact O-CA 3.38Å; N44-Y47 WeakPolarHBondContact O-CB 3.22Å; N44-Y47 PolarHBondContact O-N 3.41Å | ||
| 45 | D | 91.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.7 | -33.6 | -179 | -165.4 | 64.8 | 0 | 0 | 0 | 114.2 | E43 Y47 A48 R314 | E43-D45 PolarHBondContact O-N 3.19Å; E43-D45 VanDerWaalsContact O-N 3.17Å; D45-Y47 PolarHBondContact O-N 2.89Å; D45-Y47 VanDerWaalsContact O-N 3.12Å; D45-A48 WeakPolarHBondContact O-CB 3.48Å; D45-A48 PolarHBondContact O-N 3.18Å; D45-A48 VanDerWaalsContact O-N 3.09Å; D45-R314 IonicContact OD1-CZ 3.61Å; D45-R314 IonicContact OD1-NH1 2.63Å; D45-R314 PolarHBondContact OD1-NH1 3.44Å; D45-R314 IonicContact OD1-NH2 3.88Å; D45-R314 PolarHBondContact OD1-NH2 3.06Å; D45-R314 IonicContact OD2-CZ 3.65Å; D45-R314 IonicContact OD2-NH1 2.61Å; D45-R314 PolarHBondContact OD2-NH1 3.38Å; D45-R314 IonicContact OD2-NH2 3.12Å |
| 46 | A | 94.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 66% | 0.661 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -64.1 | -16.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N44 | N44-A46 PolarHBondContact O-N 3.09Å; N44-A46 WeakPolarHBondContact OD1-CB 3.49Å; N44-A46 PolarHBondContact OD1-N 2.88Å |
| 47 | Y | 96.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -105.5 | 13.4 | 179.2 | -53.3 | -27.7 | 0 | 0 | 0 | 112.6 | L41 N44 D45 G49 L50 T117 F118 D121 R276 | L41-Y47 HydrophobicContact CD2-CD2 3.96Å; L41-Y47 HydrophobicContact CD2-CE2 3.61Å; N44-Y47 HydrophobicContact CB-CD2 3.59Å; N44-Y47 HydrophobicContact CB-CE2 3.98Å; N44-Y47 HydrophobicContact CB-CG 4.22Å; N44-Y47 WeakPolarHBondContact ND2-CE2 3.29Å; N44-Y47 WeakPolarHBondContact O-CA 3.38Å; N44-Y47 WeakPolarHBondContact O-CB 3.22Å; N44-Y47 PolarHBondContact O-N 3.41Å; D45-Y47 PolarHBondContact O-N 2.89Å; D45-Y47 VanDerWaalsContact O-N 3.12Å; Y47-G49 PolarHBondContact O-N 3.05Å; Y47-L50 HydrophobicContact CD1-CD1 3.77Å; Y47-L50 HydrophobicContact CG-CD1 4.19Å; Y47-L50 PolarHBondContact O-N 2.74Å; Y47-T117 HydrophobicContact CD1-CG2 4.11Å; Y47-T117 HydrophobicContact CE1-CG2 3.65Å; Y47-F118 HydrophobicContact CD1-CE1 4.18Å; Y47-F118 HydrophobicContact CD2-CD1 4.04Å; Y47-F118 AromaticContact CD2-CE1 3.66Å; Y47-F118 HydrophobicContact CD2-CE1 3.66Å; Y47-F118 HydrophobicContact CE2-CD1 4.1Å; Y47-F118 HydrophobicContact CE2-CE1 4.2Å; Y47-F118 HydrophobicContact CG-CD1 4.28Å; Y47-F118 AromaticContact CG-CE1 3.67Å; Y47-F118 HydrophobicContact CG-CE1 3.67Å; Y47-D121 HydrophobicContact CE2-CB 4.43Å; Y47-D121 WeakPolarHBondContact OH-CB 3.41Å; Y47-D121 PolarHBondContact OH-OD1 3.09Å; Y47-D121 VanDerWaalsContact OH-OD1 3.07Å; Y47-R276 PolarHBondContact O-NH1 3Å |
| 48 | A | 95.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D45 R276 I318 | D45-A48 WeakPolarHBondContact O-CB 3.48Å; D45-A48 PolarHBondContact O-N 3.18Å; D45-A48 VanDerWaalsContact O-N 3.09Å; A48-R276 VanDerWaalsContact O-CZ 3.24Å; A48-R276 PolarHBondContact O-NE 3.46Å; A48-R276 PolarHBondContact O-NH1 3.32Å; A48-I318 HydrophobicContact CB-CD1 3.61Å; A48-I318 HydrophobicContact CB-CG1 3.82Å |
| 49 | G | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y47 L273 S321 A322 | Y47-G49 PolarHBondContact O-N 3.05Å; G49-L273 WeakPolarHBondContact O-CD1 3.35Å; G49-S321 WeakPolarHBondContact CA-OG 3.3Å; G49-S321 CarbonylContact O-C 3.55Å; G49-S321 VanDerWaalsContact O-C 3.32Å; G49-A322 VanDerWaalsContact O-CA 3.31Å; G49-A322 WeakPolarHBondContact O-CA 3.29Å; G49-A322 PolarHBondContact O-N 3.21Å |
| 50 | L | 98.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -114.8 | 147.6 | -178.5 | -53.8 | 180 | 0 | 0 | 0 | 111.8 | Y47 V52 T117 F118 R276 | Y47-L50 HydrophobicContact CD1-CD1 3.77Å; Y47-L50 HydrophobicContact CG-CD1 4.19Å; Y47-L50 PolarHBondContact O-N 2.74Å; L50-V52 PolarHBondContact O-N 2.58Å; L50-T117 HydrophobicContact CD1-CG2 4.07Å; L50-F118 HydrophobicContact CB-CE1 4.36Å; L50-F118 HydrophobicContact CB-CE2 4.35Å; L50-F118 HydrophobicContact CB-CZ 3.67Å; L50-F118 HydrophobicContact CD1-CD1 4.48Å; L50-F118 HydrophobicContact CD1-CE1 3.84Å; L50-F118 HydrophobicContact CD1-CZ 3.85Å; L50-F118 HydrophobicContact CG-CZ 4.44Å; L50-R276 PolarHBondContact O-NH2 3.08Å |
| 51 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -86.8 | 99.1 | 174.8 | -63.7 | 174.3 | 0 | 0 | 0 | 106.6 | P53 A269 A270 L273 E325 L326 F329 | I51-P53 WeakPolarHBondContact O-CD 3.37Å; I51-A269 HydrophobicContact CG2-CB 3.77Å; I51-A270 HydrophobicContact CD1-CB 3.74Å; I51-A270 HydrophobicContact CG1-CB 4.42Å; I51-L273 HydrophobicContact CD1-CD1 4.31Å; I51-L273 HydrophobicContact CG1-CB 4.29Å; I51-L273 HydrophobicContact CG1-CD1 3.51Å; I51-E325 HydrophobicContact CB-CG 3.74Å; I51-E325 HydrophobicContact CD1-CG 3.83Å; I51-E325 HydrophobicContact CG1-CG 3.51Å; I51-E325 VanDerWaalsContact N-CG 3.34Å; I51-L326 HydrophobicContact CD1-CD2 4.43Å; I51-F329 HydrophobicContact CD1-CB 3.72Å; I51-F329 HydrophobicContact CD1-CD2 4.18Å; I51-F329 HydrophobicContact CD1-CG 4.03Å | ||
| 52 | V | 97 | Very high | 92.7 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 125.6 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | L41 V42 L50 F118 A269 | L41-V52 HydrophobicContact CB-CG1 3.85Å; L41-V52 HydrophobicContact CB-CG2 4.25Å; L41-V52 HydrophobicContact CD1-CG1 4.3Å; V42-V52 HydrophobicContact CG2-CB 3.94Å; V42-V52 HydrophobicContact CG2-CG1 3.95Å; V42-V52 HydrophobicContact CG2-CG2 4.02Å; L50-V52 PolarHBondContact O-N 2.58Å; V52-F118 HydrophobicContact CG2-CE1 4.33Å; V52-F118 HydrophobicContact CG2-CZ 3.91Å; V52-A269 WeakPolarHBondContact O-CB 3.11Å |
| 53 | P | 96.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 141.7 | 177.1 | -25.7 | 34.8 | 0 | 0 | 0 | 111.2 | H38 I51 V55 F108 R111 L112 | H38-P53 PolarHBondContact CD2-O 3.36Å; I51-P53 WeakPolarHBondContact O-CD 3.37Å; P53-V55 PolarHBondContact O-N 3.02Å; P53-F108 HydrophobicContact CB-CD2 3.88Å; P53-F108 HydrophobicContact CB-CE2 4.24Å; P53-F108 WeakPolarHBondContact O-CE2 3.37Å; P53-R111 HydrophobicContact CB-CB 3.92Å; P53-R111 HydrophobicContact CG-CB 3.48Å; P53-R111 VanDerWaalsContact CG-CB 3.48Å; P53-R111 HydrophobicContact CG-CG 4.43Å; P53-L112 HydrophobicContact CG-CD2 3.86Å; P53-L112 HydrophobicContact CG-CG 4.4Å |
| 54 | P | 93.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 139.6 | -177.1 | 28.1 | -34.4 | 0 | 0 | 0 | 110.3 | F108 Y262 I265 D266 | P54-F108 WeakPolarHBondContact O-CD2 3.27Å; P54-Y262 HydrophobicContact CG-CE2 4.1Å; P54-I265 HydrophobicContact CB-CB 4.09Å; P54-I265 HydrophobicContact CB-CG2 3.45Å; P54-I265 VanDerWaalsContact CB-CG2 3.45Å; P54-I265 HydrophobicContact CG-CG2 4.43Å; P54-D266 HydrophobicContact CG-CB 4.4Å |
| 55 | V | 93.7 | Very high | 91.4 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -55.1 | 133.2 | 172.4 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | V35 H38 P53 | V35-V55 HydrophobicContact CB-CG2 4.39Å; V35-V55 HydrophobicContact CG2-CG2 3.91Å; H38-V55 HydrophobicContact CB-CB 4.06Å; H38-V55 HydrophobicContact CB-CG2 4.2Å; H38-V55 PolarHBondContact CD2-N 3Å; P53-V55 PolarHBondContact O-N 3.02Å |
| 56 | P | 93.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 152.3 | 176.7 | 24.9 | -33.8 | 0 | 0 | 0 | 110.2 | H31 F34 M104 H105 F108 | H31-P56 PolarHBondContact CE1-O 3Å; H31-P56 VanDerWaalsContact CE1-O 3.22Å; F34-P56 HydrophobicContact CB-CG 4.18Å; F34-P56 HydrophobicContact CD1-CG 4.12Å; F34-P56 HydrophobicContact CG-CG 4.35Å; P56-M104 HydrophobicContact CB-CB 4.31Å; P56-H105 HydrophobicContact CG-CB 4.48Å; P56-H105 VanDerWaalsContact CG-CD2 3.48Å; P56-H105 WeakPolarHBondContact CG-CD2 3.41Å; P56-F108 HydrophobicContact CG-CB 4.44Å |
| 57 | P | 90.3 | Very high | 90.8 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 147.9 | 178.1 | 27.8 | -33.8 | 0 | 0 | 0 | 110.9 | M104 H105 | P57-M104 HydrophobicContact CG-CE 4.49Å; P57-H105 PolarHBondContact O-CE1 3.23Å |
| 58 | K | 89.4 | Confident | 90.2 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 59% | 0.591 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -58.4 | 132.8 | 173.3 | -174 | 176.4 | 178.7 | 179.2 | 0 | 109.6 | H31 D60 | H31-K58 WeakPolarHBondContact NE2-CA 3.39Å; K58-D60 PolarHBondContact O-N 2.9Å |
| 59 | P | 88 | Confident | 89.7 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 122.1 | 172.7 | -18.1 | 27.6 | 0 | 0 | 0 | 110.4 | V7 F9 H31 F61 T101 | V7-P59 HydrophobicContact CB-CG 4.19Å; V7-P59 HydrophobicContact CG2-CB 3.87Å; V7-P59 HydrophobicContact CG2-CG 4.09Å; F9-P59 HydrophobicContact CE2-CG 4.37Å; F9-P59 HydrophobicContact CZ-CG 3.99Å; H31-P59 HydrophobicContact CB-CG 4.38Å; P59-F61 HydrophobicContact CB-CD2 4.34Å; P59-F61 HydrophobicContact CB-CE2 3.57Å; P59-F61 HydrophobicContact CB-CZ 4.27Å; P59-T101 HydrophobicContact CB-CG2 3.79Å; P59-T101 HydrophobicContact CG-CG2 3.59Å |
| 60 | D | 85.4 | Confident | 89.1 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | trans | -119.2 | 118.3 | 177.7 | -178.6 | 8.7 | 0 | 0 | 0 | 109.9 | K58 D62 T97 | K58-D60 PolarHBondContact O-N 2.9Å; D60-D62 VanDerWaalsContact OD1-CB 3.31Å; D60-D62 WeakPolarHBondContact OD1-CB 3.22Å; D60-D62 PolarHBondContact OD1-N 3.43Å; D60-T97 WeakPolarHBondContact O-CG2 3.34Å | ||
| 61 | F | 85.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | trans | -122.9 | 16.1 | 177.4 | -57 | -80.8 | 0 | 0 | 0 | 111.6 | V7 P59 A63 S64 R65 Y94 T97 F98 | V7-F61 HydrophobicContact CG2-CE2 3.77Å; P59-F61 HydrophobicContact CB-CD2 4.34Å; P59-F61 HydrophobicContact CB-CE2 3.57Å; P59-F61 HydrophobicContact CB-CZ 4.27Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.92Å; F61-S64 PolarHBondContact O-N 2.99Å; F61-R65 WeakPolarHBondContact O-CB 3.1Å; F61-R65 WeakPolarHBondContact O-CG 2.97Å; F61-R65 PolarHBondContact O-N 2.97Å; F61-Y94 HydrophobicContact CB-CD2 4.29Å; F61-Y94 HydrophobicContact CB-CE2 3.98Å; F61-Y94 AromaticContact CD1-CD2 3.4Å; F61-Y94 HydrophobicContact CD1-CD2 3.4Å; F61-Y94 VanDerWaalsContact CD1-CD2 3.4Å; F61-Y94 AromaticContact CD1-CE2 3.21Å; F61-Y94 HydrophobicContact CD1-CE2 3.21Å; F61-Y94 HydrophobicContact CD1-CG 4.29Å; F61-Y94 AromaticContact CD1-CZ 3.97Å; F61-Y94 HydrophobicContact CD2-CE2 4.29Å; F61-Y94 AromaticContact CE1-CD2 3.99Å; F61-Y94 HydrophobicContact CE1-CD2 3.99Å; F61-Y94 AromaticContact CE1-CE2 3.68Å; F61-Y94 HydrophobicContact CE1-CE2 3.68Å; F61-Y94 AromaticContact CE1-CZ 3.95Å; F61-Y94 HydrophobicContact CG-CD2 4.07Å; F61-Y94 AromaticContact CG-CE2 3.57Å; F61-Y94 HydrophobicContact CG-CE2 3.57Å; F61-Y94 HydrophobicContact CZ-CE2 4.39Å; F61-T97 HydrophobicContact CD1-CG2 3.97Å; F61-T97 HydrophobicContact CE1-CG2 3.76Å; F61-F98 HydrophobicContact CE1-CB 4.09Å; F61-F98 HydrophobicContact CZ-CB 4.24Å; F61-F98 HydrophobicContact CZ-CD2 4.05Å | ||
| 62 | D | 85.5 | Confident | 87.7 | Confident | 100 Ų | 100 | 60 Ų | 60 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | -175.4 | -75.3 | -13.4 | 0 | 0 | 0 | 111.9 | D60 S64 R65 A66 | D60-D62 VanDerWaalsContact OD1-CB 3.31Å; D60-D62 WeakPolarHBondContact OD1-CB 3.22Å; D60-D62 PolarHBondContact OD1-N 3.43Å; D62-S64 PolarHBondContact O-N 3.13Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 2.94Å; D62-R65 IonicContact OD1-NE 2.72Å; D62-R65 PolarHBondContact OD1-NE 3.1Å; D62-R65 IonicContact OD1-NH2 2.73Å; D62-R65 PolarHBondContact OD1-NH2 2.78Å; D62-A66 WeakPolarHBondContact O-CB 3.39Å; D62-A66 PolarHBondContact O-N 3.2Å |
| 63 | A | 82.9 | Confident | 87.2 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F61 A66 K67 | F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.92Å; A63-A66 PolarHBondContact O-N 3.42Å; A63-K67 WeakPolarHBondContact O-CB 3.43Å; A63-K67 PolarHBondContact O-N 3.39Å |
| 64 | S | 84.1 | Confident | 86.3 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | F61 D62 K67 L68 | F61-S64 PolarHBondContact O-N 2.99Å; D62-S64 PolarHBondContact O-N 3.13Å; S64-K67 PolarHBondContact O-N 2.98Å; S64-L68 WeakPolarHBondContact O-CB 3.32Å; S64-L68 PolarHBondContact O-N 2.95Å |
| 65 | R | 84.1 | Confident | 85.5 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.1 | -76.4 | -173.4 | -78.2 | -111.4 | 0.9 | 112 | F61 D62 K67 L68 Q69 | F61-R65 WeakPolarHBondContact O-CB 3.1Å; F61-R65 WeakPolarHBondContact O-CG 2.97Å; F61-R65 PolarHBondContact O-N 2.97Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 2.94Å; D62-R65 IonicContact OD1-NE 2.72Å; D62-R65 PolarHBondContact OD1-NE 3.1Å; D62-R65 IonicContact OD1-NH2 2.73Å; D62-R65 PolarHBondContact OD1-NH2 2.78Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 2.98Å; R65-L68 WeakPolarHBondContact O-CB 3.46Å; R65-L68 PolarHBondContact O-N 3.42Å; R65-Q69 PolarHBondContact O-N 3.46Å |
| 66 | A | 86.5 | Confident | 84.8 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D62 A63 Q69 R70 | D62-A66 WeakPolarHBondContact O-CB 3.39Å; D62-A66 PolarHBondContact O-N 3.2Å; A63-A66 PolarHBondContact O-N 3.42Å; A66-Q69 PolarHBondContact O-N 2.94Å; A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 3.34Å; A66-R70 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 85 | Confident | 84.2 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.317 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 175.5 | -167.8 | 166.5 | 167.1 | -168.3 | 0 | 111.4 | A63 S64 R65 R70 L71 L90 E93 | A63-K67 WeakPolarHBondContact O-CB 3.43Å; A63-K67 PolarHBondContact O-N 3.39Å; S64-K67 PolarHBondContact O-N 2.98Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 2.98Å; K67-R70 PolarHBondContact O-N 3.04Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.43Å; K67-L71 VanDerWaalsContact O-N 3.1Å; K67-L90 HydrophobicContact CB-CD1 3.87Å; K67-L90 HydrophobicContact CB-CD2 4.37Å; K67-L90 HydrophobicContact CD-CD1 4.01Å; K67-L90 HydrophobicContact CG-CD1 4.04Å; K67-L90 HydrophobicContact CG-CD2 4.42Å; K67-E93 IonicContact NZ-OE1 2.72Å; K67-E93 PolarHBondContact NZ-OE1 2.88Å; K67-E93 IonicContact NZ-OE2 2.66Å; K67-E93 PolarHBondContact NZ-OE2 3.35Å |
| 68 | L | 84.9 | Confident | 83.6 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.8 | -168.8 | 61.5 | 0 | 0 | 0 | 111.8 | S64 R65 L71 G72 L90 | S64-L68 WeakPolarHBondContact O-CB 3.32Å; S64-L68 PolarHBondContact O-N 2.95Å; R65-L68 WeakPolarHBondContact O-CB 3.46Å; R65-L68 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 3.43Å; L68-G72 PolarHBondContact O-N 3.25Å; L68-G72 VanDerWaalsContact O-N 3.09Å; L68-L90 VanDerWaalsContact CA-CD2 3.46Å; L68-L90 HydrophobicContact CB-CD2 3.68Å; L68-L90 HydrophobicContact CD1-CD2 3.73Å; L68-L90 HydrophobicContact CG-CD2 4.3Å |
| 69 | Q | 85.2 | Confident | 83.3 | Confident | 124 Ų | 124 | 77 Ų | 77 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 178.8 | -176.6 | 178.4 | -6.4 | 0 | 0 | 111.6 | R65 A66 L71 G72 E73 | R65-Q69 PolarHBondContact O-N 3.46Å; A66-Q69 PolarHBondContact O-N 2.94Å; Q69-L71 PolarHBondContact O-N 3.3Å; Q69-G72 PolarHBondContact O-N 2.95Å; Q69-G72 VanDerWaalsContact O-N 3.08Å; Q69-E73 PolarHBondContact NE2-OE1 3.48Å; Q69-E73 PolarHBondContact O-N 3.49Å |
| 70 | R | 85.1 | Confident | 83.1 | Confident | 171 Ų | 171 | 81.8 Ų | 81.8 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.6 | -33.3 | 177 | -71.9 | 176.5 | -177 | 178.2 | 1.7 | 113 | A66 K67 N74 | A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 3.34Å; A66-R70 VanDerWaalsContact O-N 3.08Å; K67-R70 PolarHBondContact O-N 3.04Å; R70-N74 PolarHBondContact O-N 3.36Å; R70-N74 PolarHBondContact O-ND2 3.47Å |
| 71 | L | 82.6 | Confident | 83.1 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 9% | 0.094 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 174.8 | -73.7 | 170.9 | 0 | 0 | 0 | 111.8 | K67 L68 Q69 N74 E75 M86 L90 | K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.43Å; K67-L71 VanDerWaalsContact O-N 3.1Å; L68-L71 PolarHBondContact O-N 3.43Å; Q69-L71 PolarHBondContact O-N 3.3Å; L71-N74 PolarHBondContact O-N 2.86Å; L71-E75 PolarHBondContact O-N 3.45Å; L71-E75 VanDerWaalsContact O-N 3.14Å; L71-M86 HydrophobicContact CD1-CB 4.17Å; L71-M86 HydrophobicContact CD2-CB 3.69Å; L71-M86 HydrophobicContact CD2-CG 4.26Å; L71-M86 HydrophobicContact CD2-SD 3.57Å; L71-M86 VanDerWaalsContact CD2-SD 3.57Å; L71-L90 HydrophobicContact CD1-CD2 3.86Å |
| 72 | G | 83.6 | Confident | 82.8 | Confident | 44 Ų | 44 | 86 Ų | 86 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L68 Q69 N74 E75 | L68-G72 PolarHBondContact O-N 3.25Å; L68-G72 VanDerWaalsContact O-N 3.09Å; Q69-G72 PolarHBondContact O-N 2.95Å; Q69-G72 VanDerWaalsContact O-N 3.08Å; G72-N74 VanDerWaalsContact C-N 3.33Å; G72-N74 PolarHBondContact O-N 2.72Å; G72-E75 WeakPolarHBondContact O-CB 3.48Å; G72-E75 PolarHBondContact O-N 2.79Å |
| 73 | E | 85.7 | Confident | 82.7 | Confident | 128 Ų | 128 | 82 Ų | 82 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.9 | -31 | 177.1 | -70.7 | 168.5 | -175.1 | 0 | 0 | 113 | Q69 | Q69-E73 PolarHBondContact NE2-OE1 3.48Å; Q69-E73 PolarHBondContact O-N 3.49Å |
| 74 | N | 77.9 | Confident | 82.9 | Confident | 72 Ų | 72 | 86.2 Ų | 86.2 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6.9 | -178.8 | -67.8 | -60.4 | 0 | 0 | 0 | 114 | R70 L71 G72 G76 N77 L78 | R70-N74 PolarHBondContact O-N 3.36Å; R70-N74 PolarHBondContact O-ND2 3.47Å; L71-N74 PolarHBondContact O-N 2.86Å; G72-N74 VanDerWaalsContact C-N 3.33Å; G72-N74 PolarHBondContact O-N 2.72Å; N74-G76 PolarHBondContact O-N 2.61Å; N74-G76 VanDerWaalsContact O-N 3.15Å; N74-N77 PolarHBondContact O-N 2.63Å; N74-L78 HydrophobicContact CB-CD1 3.84Å; N74-L78 WeakPolarHBondContact O-CD1 3.16Å |
| 75 | E | 76.2 | Confident | 82.8 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.6 | -171 | -166 | 159.7 | -142.3 | 0 | 0 | 113.1 | L71 G72 L83 K87 | L71-E75 PolarHBondContact O-N 3.45Å; L71-E75 VanDerWaalsContact O-N 3.14Å; G72-E75 WeakPolarHBondContact O-CB 3.48Å; G72-E75 PolarHBondContact O-N 2.79Å; E75-L83 HydrophobicContact CG-CD1 4.16Å; E75-L83 HydrophobicContact CG-CD2 3.59Å; E75-L83 WeakPolarHBondContact OE1-CD2 3.38Å; E75-K87 IonicContact OE1-NZ 2.63Å; E75-K87 PolarHBondContact OE1-NZ 3Å |
| 76 | G | 78.8 | Confident | 82.7 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 81% | 0.814 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N74 | N74-G76 PolarHBondContact O-N 2.61Å; N74-G76 VanDerWaalsContact O-N 3.15Å |
| 77 | N | 81.5 | Confident | 82.7 | Confident | 137 Ų | 137 | 91 Ų | 91 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -12.1 | -174.6 | -68.6 | -22.5 | 0 | 0 | 0 | 113.3 | N74 | N74-N77 PolarHBondContact O-N 2.63Š|
| 78 | L | 77.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 90.1 Ų | 90.1 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -105.2 | 144.2 | -178.2 | -84.7 | 83.4 | 0 | 0 | 0 | 111.6 | N74 D82 M86 | N74-L78 HydrophobicContact CB-CD1 3.84Å; N74-L78 WeakPolarHBondContact O-CD1 3.16Å; L78-D82 HydrophobicContact CD2-CB 4.29Å; L78-M86 HydrophobicContact CD2-CE 3.92Å; L78-M86 HydrophobicContact CD2-SD 3.59Å; L78-M86 VanDerWaalsContact CD2-SD 3.59Å |
| 79 | P | 83 | Confident | 82.6 | Confident | 77 Ų | 77 | 89.1 Ų | 89.1 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | trans | -54.4 | 142.9 | 165.4 | -23.5 | 34.2 | 0 | 0 | 0 | 111.5 | E81 D82 L83 | P79-E81 PolarHBondContact O-N 2.84Å; P79-D82 HydrophobicContact CB-CB 4.46Å; P79-D82 WeakPolarHBondContact CD-OD2 3.33Å; P79-D82 WeakPolarHBondContact CG-OD2 3.22Å; P79-D82 PolarHBondContact O-N 3Å; P79-L83 PolarHBondContact O-N 3.29Å | ||
| 80 | V | 85 | Confident | 82.6 | Confident | 115 Ų | 115 | 83.6 Ų | 83.6 | 70% | 0.697 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -55.9 | -38.4 | -176.6 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | L83 R84 | V80-L83 PolarHBondContact O-N 2.67Å; V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 3.34Å |
| 81 | E | 83.6 | Confident | 82.7 | Confident | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 178.7 | -71.1 | -55.5 | 150.6 | 0 | 0 | 113 | P79 R84 K85 | P79-E81 PolarHBondContact O-N 2.84Å; E81-R84 PolarHBondContact O-N 2.84Å; E81-R84 IonicContact OE2-CZ 3.55Å; E81-R84 IonicContact OE2-NE 3.7Å; E81-R84 PolarHBondContact OE2-NE 3.46Å; E81-R84 IonicContact OE2-NH2 3.52Å; E81-K85 WeakPolarHBondContact O-CB 3.45Å; E81-K85 PolarHBondContact O-N 3.44Å |
| 82 | D | 80.7 | Confident | 82.9 | Confident | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 176.2 | -68 | -25.2 | 0 | 0 | 0 | 110.4 | L78 P79 R84 K85 M86 | L78-D82 HydrophobicContact CD2-CB 4.29Å; P79-D82 HydrophobicContact CB-CB 4.46Å; P79-D82 WeakPolarHBondContact CD-OD2 3.33Å; P79-D82 WeakPolarHBondContact CG-OD2 3.22Å; P79-D82 PolarHBondContact O-N 3Å; D82-R84 VanDerWaalsContact C-N 3.34Å; D82-R84 PolarHBondContact O-N 3.45Å; D82-K85 PolarHBondContact O-N 2.83Å; D82-M86 WeakPolarHBondContact O-CB 3.32Å; D82-M86 VanDerWaalsContact O-CG 3.31Å; D82-M86 WeakPolarHBondContact O-CG 3.41Å; D82-M86 PolarHBondContact O-N 3.05Å |
| 83 | L | 83.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.2 | -176.5 | 76.6 | 0 | 0 | 0 | 111.6 | E75 P79 V80 M86 K87 | E75-L83 HydrophobicContact CG-CD1 4.16Å; E75-L83 HydrophobicContact CG-CD2 3.59Å; E75-L83 WeakPolarHBondContact OE1-CD2 3.38Å; P79-L83 PolarHBondContact O-N 3.29Å; V80-L83 PolarHBondContact O-N 2.67Å; L83-M86 PolarHBondContact O-N 3.36Å; L83-K87 HydrophobicContact CG-CD 4.41Å; L83-K87 WeakPolarHBondContact O-CB 3.34Å; L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 3.42Å |
| 84 | R | 86.7 | Confident | 83 | Confident | 168 Ų | 168 | 83.4 Ų | 83.4 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 178 | -168.1 | 176.2 | 81.1 | 105.6 | -0.7 | 111.6 | V80 E81 D82 K87 A88 | V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 3.34Å; E81-R84 PolarHBondContact O-N 2.84Å; E81-R84 IonicContact OE2-CZ 3.55Å; E81-R84 IonicContact OE2-NE 3.7Å; E81-R84 PolarHBondContact OE2-NE 3.46Å; E81-R84 IonicContact OE2-NH2 3.52Å; D82-R84 VanDerWaalsContact C-N 3.34Å; D82-R84 PolarHBondContact O-N 3.45Å; R84-K87 PolarHBondContact O-N 3.2Å; R84-A88 PolarHBondContact O-N 3.39Å |
| 85 | K | 82.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 84.1 Ų | 84.1 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 176.4 | -172.6 | 179 | 178.5 | -177.6 | 0 | 111.4 | E81 D82 K87 A88 E89 | E81-K85 WeakPolarHBondContact O-CB 3.45Å; E81-K85 PolarHBondContact O-N 3.44Å; D82-K85 PolarHBondContact O-N 2.83Å; K85-K87 PolarHBondContact O-N 3.44Å; K85-A88 PolarHBondContact O-N 3.46Å; K85-E89 WeakPolarHBondContact O-CG 3.47Å; K85-E89 PolarHBondContact O-N 2.9Å |
| 86 | M | 80.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 178.3 | -72.5 | -174.9 | 173.1 | 0 | 0 | 113 | L71 L78 D82 L83 L90 | L71-M86 HydrophobicContact CD1-CB 4.17Å; L71-M86 HydrophobicContact CD2-CB 3.69Å; L71-M86 HydrophobicContact CD2-CG 4.26Å; L71-M86 HydrophobicContact CD2-SD 3.57Å; L71-M86 VanDerWaalsContact CD2-SD 3.57Å; L78-M86 HydrophobicContact CD2-CE 3.92Å; L78-M86 HydrophobicContact CD2-SD 3.59Å; L78-M86 VanDerWaalsContact CD2-SD 3.59Å; D82-M86 WeakPolarHBondContact O-CB 3.32Å; D82-M86 VanDerWaalsContact O-CG 3.31Å; D82-M86 WeakPolarHBondContact O-CG 3.41Å; D82-M86 PolarHBondContact O-N 3.05Å; L83-M86 PolarHBondContact O-N 3.36Å; M86-L90 WeakPolarHBondContact O-CB 3.36Å; M86-L90 PolarHBondContact O-N 3.35Å |
| 87 | K | 86.4 | Confident | 84.2 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 32% | 0.317 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174 | -76.2 | -179.5 | -178.7 | 176.3 | 0 | 111.3 | E75 L83 R84 K85 E89 L90 E91 | E75-K87 IonicContact OE1-NZ 2.63Å; E75-K87 PolarHBondContact OE1-NZ 3Å; L83-K87 HydrophobicContact CG-CD 4.41Å; L83-K87 WeakPolarHBondContact O-CB 3.34Å; L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 3.42Å; R84-K87 PolarHBondContact O-N 3.2Å; K85-K87 PolarHBondContact O-N 3.44Å; K87-E89 PolarHBondContact O-N 3.36Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.9Å; K87-E91 WeakPolarHBondContact O-CG 3.3Å; K87-E91 PolarHBondContact O-N 3.26Å |
| 88 | A | 87.2 | Confident | 84.5 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R84 K85 L90 E91 A92 | R84-A88 PolarHBondContact O-N 3.39Å; K85-A88 PolarHBondContact O-N 3.46Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-E91 PolarHBondContact O-N 3.41Å; A88-A92 WeakPolarHBondContact O-CB 3.43Å; A88-A92 PolarHBondContact O-N 3.24Å |
| 89 | E | 82 | Confident | 85.1 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 174.7 | -74 | 179.8 | -179.5 | 0 | 0 | 111.7 | K85 K87 A92 E93 | K85-E89 WeakPolarHBondContact O-CG 3.47Å; K85-E89 PolarHBondContact O-N 2.9Å; K87-E89 PolarHBondContact O-N 3.36Å; E89-A92 PolarHBondContact O-N 2.74Å; E89-E93 WeakPolarHBondContact O-CG 3.31Å; E89-E93 PolarHBondContact O-N 3.08Å |
| 90 | L | 85.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 81.2 Ų | 81.2 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 177.4 | 178.8 | 58.9 | 0 | 0 | 0 | 112.8 | K67 L68 L71 M86 K87 A88 A92 E93 Y94 | K67-L90 HydrophobicContact CB-CD1 3.87Å; K67-L90 HydrophobicContact CB-CD2 4.37Å; K67-L90 HydrophobicContact CD-CD1 4.01Å; K67-L90 HydrophobicContact CG-CD1 4.04Å; K67-L90 HydrophobicContact CG-CD2 4.42Å; L68-L90 VanDerWaalsContact CA-CD2 3.46Å; L68-L90 HydrophobicContact CB-CD2 3.68Å; L68-L90 HydrophobicContact CD1-CD2 3.73Å; L68-L90 HydrophobicContact CG-CD2 4.3Å; L71-L90 HydrophobicContact CD1-CD2 3.86Å; M86-L90 WeakPolarHBondContact O-CB 3.36Å; M86-L90 PolarHBondContact O-N 3.35Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.9Å; A88-L90 VanDerWaalsContact C-N 3.33Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.03Å; L90-E93 PolarHBondContact O-N 2.86Å; L90-Y94 WeakPolarHBondContact O-CB 3.38Å; L90-Y94 PolarHBondContact O-N 2.9Å |
| 91 | E | 87.2 | Confident | 85.7 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 64% | 0.64 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 173.6 | -74.8 | 176.7 | 179.8 | 0 | 0 | 111.5 | K87 A88 Y94 L95 | K87-E91 WeakPolarHBondContact O-CG 3.3Å; K87-E91 PolarHBondContact O-N 3.26Å; A88-E91 PolarHBondContact O-N 3.41Å; E91-Y94 PolarHBondContact O-N 3.14Å; E91-L95 WeakPolarHBondContact O-CB 3.33Å; E91-L95 PolarHBondContact O-N 2.98Å |
| 92 | A | 85.9 | Confident | 86.1 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A88 E89 L90 L95 A96 | A88-A92 WeakPolarHBondContact O-CB 3.43Å; A88-A92 PolarHBondContact O-N 3.24Å; E89-A92 PolarHBondContact O-N 2.74Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.03Å; A92-L95 PolarHBondContact O-N 2.86Å; A92-A96 WeakPolarHBondContact O-CB 3.19Å; A92-A96 PolarHBondContact O-N 2.94Å |
| 93 | E | 84.3 | Confident | 86.7 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.5 | -75.6 | 173.4 | -173.7 | 0 | 0 | 111.5 | K67 E89 L90 L95 A96 T97 | K67-E93 IonicContact NZ-OE1 2.72Å; K67-E93 PolarHBondContact NZ-OE1 2.88Å; K67-E93 IonicContact NZ-OE2 2.66Å; K67-E93 PolarHBondContact NZ-OE2 3.35Å; E89-E93 WeakPolarHBondContact O-CG 3.31Å; E89-E93 PolarHBondContact O-N 3.08Å; L90-E93 PolarHBondContact O-N 2.86Å; E93-L95 PolarHBondContact O-N 2.76Å; E93-A96 PolarHBondContact O-N 3.14Å; E93-T97 PolarHBondContact O-N 3.24Å; E93-T97 VanDerWaalsContact O-N 3.08Å; E93-T97 PolarHBondContact O-OG1 2.91Å |
| 94 | Y | 86.5 | Confident | 87.2 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 177.1 | 179.6 | -88.2 | 0 | 0 | 0 | 111.5 | F61 L90 E91 A96 T97 F98 | F61-Y94 HydrophobicContact CB-CD2 4.29Å; F61-Y94 HydrophobicContact CB-CE2 3.98Å; F61-Y94 AromaticContact CD1-CD2 3.4Å; F61-Y94 HydrophobicContact CD1-CD2 3.4Å; F61-Y94 VanDerWaalsContact CD1-CD2 3.4Å; F61-Y94 AromaticContact CD1-CE2 3.21Å; F61-Y94 HydrophobicContact CD1-CE2 3.21Å; F61-Y94 HydrophobicContact CD1-CG 4.29Å; F61-Y94 AromaticContact CD1-CZ 3.97Å; F61-Y94 HydrophobicContact CD2-CE2 4.29Å; F61-Y94 AromaticContact CE1-CD2 3.99Å; F61-Y94 HydrophobicContact CE1-CD2 3.99Å; F61-Y94 AromaticContact CE1-CE2 3.68Å; F61-Y94 HydrophobicContact CE1-CE2 3.68Å; F61-Y94 AromaticContact CE1-CZ 3.95Å; F61-Y94 HydrophobicContact CG-CD2 4.07Å; F61-Y94 AromaticContact CG-CE2 3.57Å; F61-Y94 HydrophobicContact CG-CE2 3.57Å; F61-Y94 HydrophobicContact CZ-CE2 4.39Å; L90-Y94 WeakPolarHBondContact O-CB 3.38Å; L90-Y94 PolarHBondContact O-N 2.9Å; E91-Y94 PolarHBondContact O-N 3.14Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.33Å; Y94-T97 PolarHBondContact O-N 3.4Å; Y94-F98 WeakPolarHBondContact O-CB 3.41Å; Y94-F98 PolarHBondContact O-N 3.27Å |
| 95 | L | 87 | Confident | 87.7 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 45% | 0.45 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 179.6 | -177.5 | 62.2 | 0 | 0 | 0 | 112 | E91 A92 E93 F98 K99 | E91-L95 WeakPolarHBondContact O-CB 3.33Å; E91-L95 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 2.86Å; E93-L95 PolarHBondContact O-N 2.76Å; L95-F98 PolarHBondContact O-N 2.66Å; L95-K99 HydrophobicContact CD1-CG 4.44Å; L95-K99 HydrophobicContact CG-CD 4.35Å; L95-K99 WeakPolarHBondContact O-CB 3.37Å; L95-K99 WeakPolarHBondContact O-CG 3.43Å; L95-K99 PolarHBondContact O-N 3.08Å |
| 96 | A | 86 | Confident | 88.3 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 49% | 0.488 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A92 E93 Y94 F98 K99 K100 | A92-A96 WeakPolarHBondContact O-CB 3.19Å; A92-A96 PolarHBondContact O-N 2.94Å; E93-A96 PolarHBondContact O-N 3.14Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.33Å; A96-F98 VanDerWaalsContact C-N 3.32Å; A96-F98 PolarHBondContact O-N 3.34Å; A96-K99 PolarHBondContact O-N 3.4Å; A96-K100 WeakPolarHBondContact O-CB 3.49Å; A96-K100 PolarHBondContact O-N 3.38Å |
| 97 | T | 85.7 | Confident | 89 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | D60 F61 E93 Y94 K100 T101 | D60-T97 WeakPolarHBondContact O-CG2 3.34Å; F61-T97 HydrophobicContact CD1-CG2 3.97Å; F61-T97 HydrophobicContact CE1-CG2 3.76Å; E93-T97 PolarHBondContact O-N 3.24Å; E93-T97 VanDerWaalsContact O-N 3.08Å; E93-T97 PolarHBondContact O-OG1 2.91Å; Y94-T97 PolarHBondContact O-N 3.4Å; T97-K100 PolarHBondContact O-N 3.36Å; T97-T101 WeakPolarHBondContact O-CB 3.4Å; T97-T101 PolarHBondContact O-N 2.7Å; T97-T101 PolarHBondContact O-OG1 2.89Å |
| 98 | F | 87.7 | Confident | 89.6 | Confident | 64 Ų | 64 | 60 Ų | 60 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.8 | -177.3 | -97.4 | 0 | 0 | 0 | 111.8 | V7 F61 Y94 L95 A96 K100 T101 V102 | V7-F98 HydrophobicContact CG1-CE2 4.03Å; F61-F98 HydrophobicContact CE1-CB 4.09Å; F61-F98 HydrophobicContact CZ-CB 4.24Å; F61-F98 HydrophobicContact CZ-CD2 4.05Å; Y94-F98 WeakPolarHBondContact O-CB 3.41Å; Y94-F98 PolarHBondContact O-N 3.27Å; L95-F98 PolarHBondContact O-N 2.66Å; A96-F98 VanDerWaalsContact C-N 3.32Å; A96-F98 PolarHBondContact O-N 3.34Å; F98-K100 VanDerWaalsContact C-N 3.35Å; F98-K100 PolarHBondContact O-N 3.33Å; F98-T101 WeakPolarHBondContact O-CB 3.48Å; F98-T101 PolarHBondContact O-N 3.48Å; F98-V102 HydrophobicContact CD1-CG2 4.12Å; F98-V102 HydrophobicContact CE1-CG2 3.67Å; F98-V102 HydrophobicContact CE2-CG2 4.39Å; F98-V102 HydrophobicContact CZ-CG2 3.82Å; F98-V102 WeakPolarHBondContact O-CG2 3.32Å; F98-V102 PolarHBondContact O-N 3.46Å |
| 99 | K | 89.5 | Confident | 90.1 | Very high | 134 Ų | 134 | 58.3 Ų | 58.3 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 177.3 | -76.5 | 176.6 | 177.2 | 179.9 | 0 | 112.3 | L95 A96 T101 V102 A103 | L95-K99 HydrophobicContact CD1-CG 4.44Å; L95-K99 HydrophobicContact CG-CD 4.35Å; L95-K99 WeakPolarHBondContact O-CB 3.37Å; L95-K99 WeakPolarHBondContact O-CG 3.43Å; L95-K99 PolarHBondContact O-N 3.08Å; A96-K99 PolarHBondContact O-N 3.4Å; K99-T101 VanDerWaalsContact C-N 3.32Å; K99-T101 PolarHBondContact O-N 2.74Å; K99-V102 PolarHBondContact O-N 3.48Å; K99-A103 WeakPolarHBondContact O-CB 3.46Å; K99-A103 PolarHBondContact O-N 2.87Å |
| 100 | K | 89.8 | Confident | 90.8 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175 | 177.5 | 172.1 | 174.4 | 153.9 | 0 | 111.6 | A96 T97 F98 A103 M104 D253 D258 | A96-K100 WeakPolarHBondContact O-CB 3.49Å; A96-K100 PolarHBondContact O-N 3.38Å; T97-K100 PolarHBondContact O-N 3.36Å; F98-K100 VanDerWaalsContact C-N 3.35Å; F98-K100 PolarHBondContact O-N 3.33Å; K100-A103 PolarHBondContact O-N 2.98Å; K100-M104 WeakPolarHBondContact O-CG 3.5Å; K100-M104 PolarHBondContact O-N 2.92Å; K100-D253 IonicContact NZ-OD2 2.82Å; K100-D253 PolarHBondContact NZ-OD2 3.32Å; K100-D258 VanDerWaalsContact CE-CG 3.41Å; K100-D258 WeakPolarHBondContact CE-OD1 3.43Å; K100-D258 WeakPolarHBondContact CE-OD2 2.96Å; K100-D258 IonicContact NZ-OD1 3.49Å; K100-D258 PolarHBondContact NZ-OD1 3.43Å; K100-D258 IonicContact NZ-OD2 3.24Å; K100-D258 PolarHBondContact NZ-OD2 2.9Å |
| 101 | T | 91.5 | Very high | 91.4 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | F9 P59 T97 F98 K99 A103 M104 H105 | F9-T101 HydrophobicContact CE1-CG2 4Å; F9-T101 HydrophobicContact CZ-CG2 3.77Å; P59-T101 HydrophobicContact CB-CG2 3.79Å; P59-T101 HydrophobicContact CG-CG2 3.59Å; T97-T101 WeakPolarHBondContact O-CB 3.4Å; T97-T101 PolarHBondContact O-N 2.7Å; T97-T101 PolarHBondContact O-OG1 2.89Å; F98-T101 WeakPolarHBondContact O-CB 3.48Å; F98-T101 PolarHBondContact O-N 3.48Å; K99-T101 VanDerWaalsContact C-N 3.32Å; K99-T101 PolarHBondContact O-N 2.74Å; T101-A103 PolarHBondContact O-N 3.47Å; T101-M104 PolarHBondContact O-N 3.16Å; T101-H105 PolarHBondContact O-N 3.36Å; T101-H105 VanDerWaalsContact O-N 3.12Å; T101-H105 PolarHBondContact O-ND1 2.96Å |
| 102 | V | 92.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | F9 F98 K99 M104 H105 E106 | F9-V102 HydrophobicContact CD1-CG2 4.43Å; F9-V102 HydrophobicContact CE1-CG2 4.28Å; F98-V102 HydrophobicContact CD1-CG2 4.12Å; F98-V102 HydrophobicContact CE1-CG2 3.67Å; F98-V102 HydrophobicContact CE2-CG2 4.39Å; F98-V102 HydrophobicContact CZ-CG2 3.82Å; F98-V102 WeakPolarHBondContact O-CG2 3.32Å; F98-V102 PolarHBondContact O-N 3.46Å; K99-V102 PolarHBondContact O-N 3.48Å; V102-M104 VanDerWaalsContact C-N 3.31Å; V102-M104 PolarHBondContact O-N 3.13Å; V102-H105 PolarHBondContact O-N 3.36Å; V102-E106 WeakPolarHBondContact O-CB 3.49Å; V102-E106 PolarHBondContact O-N 3.09Å |
| 103 | A | 92.6 | Very high | 92.4 | Very high | 46 Ų | 46 | 53 Ų | 53 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K99 K100 T101 E106 V107 | K99-A103 WeakPolarHBondContact O-CB 3.46Å; K99-A103 PolarHBondContact O-N 2.87Å; K100-A103 PolarHBondContact O-N 2.98Å; T101-A103 PolarHBondContact O-N 3.47Å; A103-E106 PolarHBondContact O-N 3.17Å; A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 2.78Å |
| 104 | M | 93.8 | Very high | 93 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 177.5 | -69.8 | -67.3 | -67 | 0 | 0 | 112.7 | P56 P57 K100 T101 V102 E106 V107 F108 Y262 | P56-M104 HydrophobicContact CB-CB 4.31Å; P57-M104 HydrophobicContact CG-CE 4.49Å; K100-M104 WeakPolarHBondContact O-CG 3.5Å; K100-M104 PolarHBondContact O-N 2.92Å; T101-M104 PolarHBondContact O-N 3.16Å; V102-M104 VanDerWaalsContact C-N 3.31Å; V102-M104 PolarHBondContact O-N 3.13Å; M104-E106 VanDerWaalsContact C-N 3.35Å; M104-V107 PolarHBondContact O-N 2.99Å; M104-F108 PolarHBondContact O-N 3.23Å; M104-F108 VanDerWaalsContact O-N 3.16Å; M104-Y262 HydrophobicContact CE-CD2 3.98Å |
| 105 | H | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 175.9 | -71.6 | 70 | 0 | 0 | 0 | 111 | F9 H31 F34 P56 P57 T101 V102 F108 L109 | F9-H105 HydrophobicContact CD1-CB 4.39Å; F9-H105 HydrophobicContact CE1-CB 4.19Å; F9-H105 AromaticContact CE1-CD2 3.98Å; F9-H105 AromaticContact CE1-CG 3.73Å; F9-H105 AromaticContact CE1-ND1 3.79Å; F9-H105 AromaticContact CE2-CD2 3.8Å; F9-H105 AromaticContact CE2-NE2 3.68Å; F9-H105 AromaticContact CZ-CD2 3.62Å; F9-H105 AromaticContact CZ-CE1 3.51Å; F9-H105 AromaticContact CZ-CG 3.78Å; F9-H105 AromaticContact CZ-ND1 3.69Å; F9-H105 AromaticContact CZ-NE2 3.46Å; F9-H105 WeakPolarHBondContact CZ-NE2 3.34Å; H31-H105 AromaticContact ND1-CE1 3.78Å; H31-H105 AromaticContact ND1-NE2 3.05Å; H31-H105 PolarHBondContact ND1-NE2 3.23Å; F34-H105 AromaticContact CD1-CD2 3.78Å; F34-H105 AromaticContact CD2-CD2 3.74Å; F34-H105 HydrophobicContact CE1-CB 3.88Å; F34-H105 AromaticContact CE1-CD2 3.75Å; F34-H105 AromaticContact CE2-CD2 3.73Å; F34-H105 AromaticContact CG-CD2 3.77Å; F34-H105 HydrophobicContact CZ-CB 4.08Å; F34-H105 AromaticContact CZ-CD2 3.73Å; P56-H105 HydrophobicContact CG-CB 4.48Å; P56-H105 VanDerWaalsContact CG-CD2 3.48Å; P56-H105 WeakPolarHBondContact CG-CD2 3.41Å; P57-H105 PolarHBondContact O-CE1 3.23Å; T101-H105 PolarHBondContact O-N 3.36Å; T101-H105 VanDerWaalsContact O-N 3.12Å; T101-H105 PolarHBondContact O-ND1 2.96Å; V102-H105 PolarHBondContact O-N 3.36Å; H105-F108 PolarHBondContact O-N 2.8Å; H105-L109 WeakPolarHBondContact O-CG 3.49Å; H105-L109 PolarHBondContact O-N 3.17Å |
| 106 | E | 96.6 | Very high | 93.9 | Very high | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.7 | -175.5 | 178 | -173.2 | 0 | 0 | 111.6 | V102 A103 M104 F108 L109 Q110 | V102-E106 WeakPolarHBondContact O-CB 3.49Å; V102-E106 PolarHBondContact O-N 3.09Å; A103-E106 PolarHBondContact O-N 3.17Å; M104-E106 VanDerWaalsContact C-N 3.35Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 PolarHBondContact O-N 2.91Å; E106-L109 PolarHBondContact O-N 3.39Å; E106-Q110 HydrophobicContact CG-CG 4.15Å; E106-Q110 WeakPolarHBondContact O-CB 3.29Å; E106-Q110 VanDerWaalsContact O-CG 3.31Å; E106-Q110 WeakPolarHBondContact O-CG 3.41Å; E106-Q110 PolarHBondContact O-N 3.32Å; E106-Q110 PolarHBondContact OE1-NE2 2.84Å |
| 107 | V | 95.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 50 Ų | 50 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 177 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | A103 M104 Q110 R111 Y262 | A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 2.78Å; M104-V107 PolarHBondContact O-N 2.99Å; V107-Q110 PolarHBondContact O-N 2.92Å; V107-R111 WeakPolarHBondContact O-CB 3.39Å; V107-R111 WeakPolarHBondContact O-CG 3.32Å; V107-R111 PolarHBondContact O-N 3.21Å; V107-Y262 HydrophobicContact CG1-CE2 3.92Å |
| 108 | F | 97.7 | Very high | 95 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -51 | 175.7 | 172.7 | -101.6 | 0 | 0 | 0 | 111.6 | F34 L37 H38 P53 P54 P56 M104 H105 E106 R111 L112 | F34-F108 AromaticContact CD1-CD1 3.75Å; F34-F108 HydrophobicContact CD1-CD1 3.75Å; F34-F108 HydrophobicContact CD1-CE1 4.05Å; F34-F108 HydrophobicContact CE1-CD1 4.38Å; L37-F108 HydrophobicContact CD2-CE1 3.96Å; L37-F108 HydrophobicContact CD2-CZ 4.44Å; L37-F108 HydrophobicContact CG-CE1 4.45Å; L37-F108 HydrophobicContact CG-CZ 4.48Å; H38-F108 HydrophobicContact CB-CE2 4.32Å; H38-F108 HydrophobicContact CB-CZ 4.09Å; P53-F108 HydrophobicContact CB-CD2 3.88Å; P53-F108 HydrophobicContact CB-CE2 4.24Å; P53-F108 WeakPolarHBondContact O-CE2 3.37Å; P54-F108 WeakPolarHBondContact O-CD2 3.27Å; P56-F108 HydrophobicContact CG-CB 4.44Å; M104-F108 PolarHBondContact O-N 3.23Å; M104-F108 VanDerWaalsContact O-N 3.16Å; H105-F108 PolarHBondContact O-N 2.8Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 PolarHBondContact O-N 2.91Å; F108-R111 PolarHBondContact O-N 3.09Å; F108-L112 HydrophobicContact CD1-CD1 4.31Å; F108-L112 HydrophobicContact CE1-CD1 3.71Å; F108-L112 HydrophobicContact CE2-CD1 4.29Å; F108-L112 HydrophobicContact CZ-CD1 3.69Å; F108-L112 PolarHBondContact O-N 3.02Å |
| 109 | L | 98.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 179.6 | -60.4 | 176.2 | 0 | 0 | 0 | 112.4 | I11 F34 L37 H105 E106 R111 L112 A113 F124 F127 | I11-L109 HydrophobicContact CD1-CD1 3.83Å; I11-L109 HydrophobicContact CG1-CD1 4.23Å; I11-L109 HydrophobicContact CG2-CD1 4.07Å; F34-L109 HydrophobicContact CD1-CD2 4.28Å; F34-L109 HydrophobicContact CE1-CD1 3.79Å; F34-L109 HydrophobicContact CE1-CD2 3.84Å; F34-L109 HydrophobicContact CE1-CG 3.81Å; F34-L109 HydrophobicContact CZ-CD1 4.18Å; L37-L109 HydrophobicContact CD2-CD2 4.5Å; H105-L109 WeakPolarHBondContact O-CG 3.49Å; H105-L109 PolarHBondContact O-N 3.17Å; E106-L109 PolarHBondContact O-N 3.39Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.12Å; L109-L112 PolarHBondContact O-N 3.24Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.16Å; L109-F124 HydrophobicContact CD2-CE2 3.9Å; L109-F127 HydrophobicContact CD1-CE1 4.29Å; L109-F127 HydrophobicContact CD2-CD1 4.11Å; L109-F127 HydrophobicContact CD2-CE1 3.46Å; L109-F127 VanDerWaalsContact CD2-CE1 3.46Å; L109-F127 HydrophobicContact CD2-CZ 4.21Å |
| 110 | Q | 97.2 | Very high | 95.7 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 176.6 | -74.9 | -180 | -4.6 | 0 | 0 | 111.9 | E106 V107 S114 | E106-Q110 HydrophobicContact CG-CG 4.15Å; E106-Q110 WeakPolarHBondContact O-CB 3.29Å; E106-Q110 VanDerWaalsContact O-CG 3.31Å; E106-Q110 WeakPolarHBondContact O-CG 3.41Å; E106-Q110 PolarHBondContact O-N 3.32Å; E106-Q110 PolarHBondContact OE1-NE2 2.84Å; V107-Q110 PolarHBondContact O-N 2.92Å; Q110-S114 VanDerWaalsContact O-CB 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.27Å; Q110-S114 PolarHBondContact O-N 2.78Å; Q110-S114 PolarHBondContact O-OG 3.17Å |
| 111 | R | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 174.2 | -78.8 | -169.7 | 62.5 | -168.5 | 0.2 | 112.4 | P53 V107 F108 L109 S114 H115 Y262 D266 | P53-R111 HydrophobicContact CB-CB 3.92Å; P53-R111 HydrophobicContact CG-CB 3.48Å; P53-R111 VanDerWaalsContact CG-CB 3.48Å; P53-R111 HydrophobicContact CG-CG 4.43Å; V107-R111 WeakPolarHBondContact O-CB 3.39Å; V107-R111 WeakPolarHBondContact O-CG 3.32Å; V107-R111 PolarHBondContact O-N 3.21Å; F108-R111 PolarHBondContact O-N 3.09Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.12Å; R111-S114 PolarHBondContact O-OG 3.45Å; R111-H115 WeakPolarHBondContact O-CB 3.46Å; R111-H115 PolarHBondContact O-N 3.49Å; R111-H115 VanDerWaalsContact O-N 3.16Å; R111-Y262 WeakPolarHBondContact CD-OH 3.14Å; R111-Y262 PolarHBondContact NH1-OH 3.46Å; R111-D266 IonicContact CZ-OD1 2.63Å; R111-D266 VanDerWaalsContact NH1-CG 3.33Å; R111-D266 IonicContact NH1-OD1 2.84Å; R111-D266 PolarHBondContact NH1-OD1 3.03Å; R111-D266 IonicContact NH1-OD2 2.93Å; R111-D266 IonicContact NH2-OD1 3.6Å; R111-D266 PolarHBondContact NH2-OD1 3.49Å |
| 112 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.3 | -63.6 | -180 | 0 | 0 | 0 | 111.5 | L37 L41 P53 F108 L109 S114 H115 F118 K119 F124 | L37-L112 HydrophobicContact CD2-CD1 3.85Å; L37-L112 HydrophobicContact CG-CD1 4.34Å; L41-L112 HydrophobicContact CD1-CD1 3.75Å; L41-L112 HydrophobicContact CD1-CD2 3.55Å; L41-L112 HydrophobicContact CD1-CG 4.32Å; P53-L112 HydrophobicContact CG-CD2 3.86Å; P53-L112 HydrophobicContact CG-CG 4.4Å; F108-L112 HydrophobicContact CD1-CD1 4.31Å; F108-L112 HydrophobicContact CE1-CD1 3.71Å; F108-L112 HydrophobicContact CE2-CD1 4.29Å; F108-L112 HydrophobicContact CZ-CD1 3.69Å; F108-L112 PolarHBondContact O-N 3.02Å; L109-L112 PolarHBondContact O-N 3.24Å; L112-S114 PolarHBondContact O-N 3.46Å; L112-H115 PolarHBondContact O-N 3.39Å; L112-F118 HydrophobicContact CB-CB 4.34Å; L112-F118 HydrophobicContact CD2-CB 3.94Å; L112-F118 HydrophobicContact CD2-CD2 3.78Å; L112-F118 HydrophobicContact CD2-CE2 4.44Å; L112-F118 HydrophobicContact CD2-CG 3.86Å; L112-K119 PolarHBondContact O-N 2.76Å; L112-F124 HydrophobicContact CB-CD1 4.18Å; L112-F124 HydrophobicContact CB-CD2 4.27Å; L112-F124 HydrophobicContact CB-CE1 3.74Å; L112-F124 HydrophobicContact CB-CE2 3.83Å; L112-F124 HydrophobicContact CB-CG 4.42Å; L112-F124 HydrophobicContact CB-CZ 3.53Å; L112-F124 HydrophobicContact CD1-CD2 3.87Å; L112-F124 HydrophobicContact CD1-CE2 3.84Å; L112-F124 HydrophobicContact CD1-CG 4.46Å; L112-F124 HydrophobicContact CD1-CZ 4.42Å |
| 113 | A | 97.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 45% | 0.446 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.1 | -30.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L109 K119 F124 | L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.16Å; A113-K119 WeakPolarHBondContact O-CB 3.17Å; A113-F124 HydrophobicContact CB-CE1 4.15Å; A113-F124 HydrophobicContact CB-CZ 4.15Å |
| 114 | S | 96 | Very high | 96.5 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -85.5 | -18 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | Q110 R111 L112 | Q110-S114 VanDerWaalsContact O-CB 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.27Å; Q110-S114 PolarHBondContact O-N 2.78Å; Q110-S114 PolarHBondContact O-OG 3.17Å; R111-S114 PolarHBondContact O-OG 3.45Å; L112-S114 PolarHBondContact O-N 3.46Å |
| 115 | H | 97.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -75.4 | 133.9 | -179.8 | -174.8 | -70.4 | 0 | 0 | 0 | 111.5 | R111 L112 T117 F118 K119 E325 | R111-H115 WeakPolarHBondContact O-CB 3.46Å; R111-H115 PolarHBondContact O-N 3.49Å; R111-H115 VanDerWaalsContact O-N 3.16Å; L112-H115 PolarHBondContact O-N 3.39Å; H115-T117 VanDerWaalsContact C-N 3.3Å; H115-T117 VanDerWaalsContact CE1-CB 3.5Å; H115-T117 WeakPolarHBondContact CE1-CB 3.4Å; H115-T117 PolarHBondContact CE1-OG1 2.93Å; H115-T117 PolarHBondContact ND1-N 3.07Å; H115-T117 PolarHBondContact O-N 2.87Å; H115-F118 HydrophobicContact CB-CB 4.11Å; H115-F118 HydrophobicContact CB-CD2 3.62Å; H115-F118 HydrophobicContact CB-CG 4.26Å; H115-F118 AromaticContact CD2-CD2 3.64Å; H115-F118 AromaticContact CD2-CE2 3.71Å; H115-F118 AromaticContact CG-CD2 3.32Å; H115-F118 AromaticContact CG-CE2 3.89Å; H115-F118 AromaticContact ND1-CD2 3.63Å; H115-F118 AromaticContact ND1-CG 3.93Å; H115-F118 PolarHBondContact ND1-N 3.36Å; H115-F118 AromaticContact NE2-CE2 3.9Å; H115-K119 WeakPolarHBondContact O-CB 3.43Å; H115-K119 WeakPolarHBondContact O-CD 3.46Å; H115-K119 VanDerWaalsContact O-CG 3.31Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.94Å; H115-E325 IonicContact CD2-OE2 2.92Å; H115-E325 IonicContact NE2-OE2 3.82Å; H115-E325 PolarHBondContact NE2-OE2 3.33Å |
| 116 | P | 95.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -36.6 | -174.3 | 22.5 | -33.9 | 0 | 0 | 0 | 113.6 | K119 H120 | P116-K119 WeakPolarHBondContact O-CE 3.41Å; P116-H120 PolarHBondContact O-CD2 3.11Å; P116-H120 VanDerWaalsContact O-CD2 3.25Å |
| 117 | T | 96.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 42 Ų | 42 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -55.8 | 177.4 | -42.1 | 0 | 0 | 0 | 0 | 113.7 | Y47 L50 H115 K119 H120 | Y47-T117 HydrophobicContact CD1-CG2 4.11Å; Y47-T117 HydrophobicContact CE1-CG2 3.65Å; L50-T117 HydrophobicContact CD1-CG2 4.07Å; H115-T117 VanDerWaalsContact C-N 3.3Å; H115-T117 VanDerWaalsContact CE1-CB 3.5Å; H115-T117 WeakPolarHBondContact CE1-CB 3.4Å; H115-T117 PolarHBondContact CE1-OG1 2.93Å; H115-T117 PolarHBondContact ND1-N 3.07Å; H115-T117 PolarHBondContact O-N 2.87Å; T117-K119 VanDerWaalsContact C-N 3.25Å; T117-K119 PolarHBondContact O-N 3.34Å; T117-K119 VanDerWaalsContact O-N 3.17Å; T117-H120 PolarHBondContact O-N 3.22Å |
| 118 | F | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.9 | -29.8 | -173.8 | -60.8 | -48.2 | 0 | 0 | 0 | 114.5 | L41 Y47 L50 V52 L112 H115 H120 D121 F124 | L41-F118 HydrophobicContact CD2-CD1 4.04Å; L41-F118 HydrophobicContact CD2-CE1 4.42Å; Y47-F118 HydrophobicContact CD1-CE1 4.18Å; Y47-F118 HydrophobicContact CD2-CD1 4.04Å; Y47-F118 AromaticContact CD2-CE1 3.66Å; Y47-F118 HydrophobicContact CD2-CE1 3.66Å; Y47-F118 HydrophobicContact CE2-CD1 4.1Å; Y47-F118 HydrophobicContact CE2-CE1 4.2Å; Y47-F118 HydrophobicContact CG-CD1 4.28Å; Y47-F118 AromaticContact CG-CE1 3.67Å; Y47-F118 HydrophobicContact CG-CE1 3.67Å; L50-F118 HydrophobicContact CB-CE1 4.36Å; L50-F118 HydrophobicContact CB-CE2 4.35Å; L50-F118 HydrophobicContact CB-CZ 3.67Å; L50-F118 HydrophobicContact CD1-CD1 4.48Å; L50-F118 HydrophobicContact CD1-CE1 3.84Å; L50-F118 HydrophobicContact CD1-CZ 3.85Å; L50-F118 HydrophobicContact CG-CZ 4.44Å; V52-F118 HydrophobicContact CG2-CE1 4.33Å; V52-F118 HydrophobicContact CG2-CZ 3.91Å; L112-F118 HydrophobicContact CB-CB 4.34Å; L112-F118 HydrophobicContact CD2-CB 3.94Å; L112-F118 HydrophobicContact CD2-CD2 3.78Å; L112-F118 HydrophobicContact CD2-CE2 4.44Å; L112-F118 HydrophobicContact CD2-CG 3.86Å; H115-F118 HydrophobicContact CB-CB 4.11Å; H115-F118 HydrophobicContact CB-CD2 3.62Å; H115-F118 HydrophobicContact CB-CG 4.26Å; H115-F118 AromaticContact CD2-CD2 3.64Å; H115-F118 AromaticContact CD2-CE2 3.71Å; H115-F118 AromaticContact CG-CD2 3.32Å; H115-F118 AromaticContact CG-CE2 3.89Å; H115-F118 AromaticContact ND1-CD2 3.63Å; H115-F118 AromaticContact ND1-CG 3.93Å; H115-F118 PolarHBondContact ND1-N 3.36Å; H115-F118 AromaticContact NE2-CE2 3.9Å; F118-H120 PolarHBondContact O-N 3.36Å; F118-H120 VanDerWaalsContact O-N 3.07Å; F118-D121 WeakPolarHBondContact O-CB 3.3Å; F118-D121 PolarHBondContact O-N 2.9Å; F118-F124 WeakPolarHBondContact O-CD1 3.3Å |
| 119 | K | 96.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -60.6 | -18.6 | 177.1 | 74.8 | -173.9 | -174.2 | -179.8 | 0 | 114 | L17 L112 A113 H115 P116 T117 | L17-K119 WeakPolarHBondContact CD1-O 3.49Å; L112-K119 PolarHBondContact O-N 2.76Å; A113-K119 WeakPolarHBondContact O-CB 3.17Å; H115-K119 WeakPolarHBondContact O-CB 3.43Å; H115-K119 WeakPolarHBondContact O-CD 3.46Å; H115-K119 VanDerWaalsContact O-CG 3.31Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.94Å; P116-K119 WeakPolarHBondContact O-CE 3.41Å; T117-K119 VanDerWaalsContact C-N 3.25Å; T117-K119 PolarHBondContact O-N 3.34Å; T117-K119 VanDerWaalsContact O-N 3.17Å |
| 120 | H | 96 | Very high | 96.3 | Very high | 100 Ų | 100 | 44.9 Ų | 44.9 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -102.8 | 4.2 | 176.5 | -60.4 | -67 | 0 | 0 | 0 | 113.1 | P116 T117 F118 H122 | P116-H120 PolarHBondContact O-CD2 3.11Å; P116-H120 VanDerWaalsContact O-CD2 3.25Å; T117-H120 PolarHBondContact O-N 3.22Å; F118-H120 PolarHBondContact O-N 3.36Å; F118-H120 VanDerWaalsContact O-N 3.07Å; H120-H122 PolarHBondContact O-N 2.85Å |
| 121 | D | 96.9 | Very high | 96 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | trans | -65.7 | 132.5 | 177.6 | 177.4 | 62.3 | 0 | 0 | 0 | 110.9 | L41 Y47 F118 G123 F124 R125 | L41-D121 HydrophobicContact CD2-CB 4.24Å; Y47-D121 HydrophobicContact CE2-CB 4.43Å; Y47-D121 WeakPolarHBondContact OH-CB 3.41Å; Y47-D121 PolarHBondContact OH-OD1 3.09Å; Y47-D121 VanDerWaalsContact OH-OD1 3.07Å; F118-D121 WeakPolarHBondContact O-CB 3.3Å; F118-D121 PolarHBondContact O-N 2.9Å; D121-G123 VanDerWaalsContact C-N 3.34Å; D121-G123 PolarHBondContact O-N 3.11Å; D121-G123 WeakPolarHBondContact OD2-CA 3.49Å; D121-G123 PolarHBondContact OD2-N 3.5Å; D121-F124 HydrophobicContact CB-CB 3.98Å; D121-F124 PolarHBondContact O-N 2.95Å; D121-F124 PolarHBondContact OD2-N 3.07Å; D121-R125 PolarHBondContact O-N 3.31Å | ||
| 122 | H | 95 | Very high | 95.6 | Very high | 104 Ų | 104 | 53 Ų | 53 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 179.2 | 177.8 | 81.1 | 0 | 0 | 0 | 112 | H120 R125 V126 | H120-H122 PolarHBondContact O-N 2.85Å; H122-R125 PolarHBondContact ND1-NH2 3.14Å; H122-R125 PolarHBondContact O-N 2.91Å; H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.32Å; H122-V126 PolarHBondContact O-N 3.4Å |
| 123 | G | 94.2 | Very high | 95 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D121 V126 F127 | D121-G123 VanDerWaalsContact C-N 3.34Å; D121-G123 PolarHBondContact O-N 3.11Å; D121-G123 WeakPolarHBondContact OD2-CA 3.49Å; D121-G123 PolarHBondContact OD2-N 3.5Å; G123-V126 PolarHBondContact O-N 3.36Å; G123-F127 WeakPolarHBondContact O-CB 3.31Å; G123-F127 PolarHBondContact O-N 2.82Å |
| 124 | F | 97.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175 | -175.6 | -135.2 | 0 | 0 | 0 | 112.3 | L37 L109 L112 A113 F118 D121 F127 L128 | L37-F124 HydrophobicContact CD1-CB 4.22Å; L37-F124 HydrophobicContact CD2-CD2 3.75Å; L37-F124 HydrophobicContact CD2-CE2 4.36Å; L109-F124 HydrophobicContact CD2-CE2 3.9Å; L112-F124 HydrophobicContact CB-CD1 4.18Å; L112-F124 HydrophobicContact CB-CD2 4.27Å; L112-F124 HydrophobicContact CB-CE1 3.74Å; L112-F124 HydrophobicContact CB-CE2 3.83Å; L112-F124 HydrophobicContact CB-CG 4.42Å; L112-F124 HydrophobicContact CB-CZ 3.53Å; L112-F124 HydrophobicContact CD1-CD2 3.87Å; L112-F124 HydrophobicContact CD1-CE2 3.84Å; L112-F124 HydrophobicContact CD1-CG 4.46Å; L112-F124 HydrophobicContact CD1-CZ 4.42Å; A113-F124 HydrophobicContact CB-CE1 4.15Å; A113-F124 HydrophobicContact CB-CZ 4.15Å; F118-F124 WeakPolarHBondContact O-CD1 3.3Å; D121-F124 HydrophobicContact CB-CB 3.98Å; D121-F124 PolarHBondContact O-N 2.95Å; D121-F124 PolarHBondContact OD2-N 3.07Å; F124-F127 WeakPolarHBondContact O-CB 3.32Å; F124-F127 PolarHBondContact O-N 2.88Å; F124-L128 HydrophobicContact CD1-CD1 4.37Å; F124-L128 HydrophobicContact CD2-CD1 4.26Å; F124-L128 HydrophobicContact CD2-CG 4.21Å; F124-L128 HydrophobicContact CE1-CD1 3.91Å; F124-L128 HydrophobicContact CE2-CD1 3.81Å; F124-L128 HydrophobicContact CE2-CD2 4.05Å; F124-L128 HydrophobicContact CE2-CG 3.93Å; F124-L128 HydrophobicContact CZ-CD1 3.63Å; F124-L128 HydrophobicContact CZ-CD2 4.47Å; F124-L128 HydrophobicContact CZ-CG 4.27Å; F124-L128 WeakPolarHBondContact O-CG 3.43Å; F124-L128 PolarHBondContact O-N 3Å |
| 125 | R | 96.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 25% | 0.249 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 173.8 | -176.9 | -177.2 | 64 | 177.2 | -2.5 | 111.7 | D19 F20 D121 H122 F127 L128 E129 | D19-R125 VanDerWaalsContact O-CD 3.26Å; D19-R125 WeakPolarHBondContact O-CD 3.18Å; D19-R125 PolarHBondContact O-NH1 3.46Å; F20-R125 HydrophobicContact CD1-CG 4.19Å; F20-R125 HydrophobicContact CD2-CG 4.26Å; F20-R125 HydrophobicContact CE1-CG 3.95Å; F20-R125 HydrophobicContact CE2-CG 4.01Å; F20-R125 HydrophobicContact CG-CG 4.35Å; F20-R125 HydrophobicContact CZ-CB 4.26Å; F20-R125 HydrophobicContact CZ-CG 3.85Å; D121-R125 PolarHBondContact O-N 3.31Å; H122-R125 PolarHBondContact ND1-NH2 3.14Å; H122-R125 PolarHBondContact O-N 2.91Å; R125-F127 VanDerWaalsContact C-N 3.26Å; R125-F127 PolarHBondContact O-N 2.84Å; R125-L128 PolarHBondContact O-N 3.5Å; R125-E129 WeakPolarHBondContact O-CB 3.37Å; R125-E129 PolarHBondContact O-N 2.72Å |
| 126 | V | 95 | Very high | 92.5 | Very high | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 176 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | R29 H122 G123 L128 E129 F130 L134 | R29-V126 PolarHBondContact NH2-O 2.96Å; H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.32Å; H122-V126 PolarHBondContact O-N 3.4Å; G123-V126 PolarHBondContact O-N 3.36Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 3.21Å; V126-E129 PolarHBondContact O-N 3.27Å; V126-F130 HydrophobicContact CG1-CB 4.09Å; V126-F130 WeakPolarHBondContact O-CB 3.12Å; V126-F130 PolarHBondContact O-N 2.72Å; V126-L134 HydrophobicContact CG1-CD2 3.69Å |
| 127 | F | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 175.7 | 178.2 | -86.7 | 0 | 0 | 0 | 113 | I11 R29 E33 F34 W36 L37 L109 G123 F124 R125 L134 | I11-F127 HydrophobicContact CD1-CE1 3.54Å; I11-F127 HydrophobicContact CD1-CZ 3.84Å; R29-F127 HydrophobicContact CB-CE2 4.18Å; R29-F127 HydrophobicContact CB-CZ 3.98Å; R29-F127 HydrophobicContact CG-CD2 4.39Å; R29-F127 HydrophobicContact CG-CE1 4.15Å; R29-F127 HydrophobicContact CG-CE2 3.79Å; R29-F127 HydrophobicContact CG-CZ 3.65Å; R29-F127 PolarHBondContact NE-O 3.08Å; R29-F127 PolarHBondContact NH2-O 3.4Å; E33-F127 HydrophobicContact CB-CD2 4.43Å; E33-F127 HydrophobicContact CB-CE2 3.9Å; F34-F127 AromaticContact CD1-CZ 3.99Å; F34-F127 HydrophobicContact CD1-CZ 3.99Å; F34-F127 HydrophobicContact CD2-CE2 4.33Å; F34-F127 AromaticContact CD2-CZ 3.95Å; F34-F127 HydrophobicContact CD2-CZ 3.95Å; F34-F127 HydrophobicContact CE1-CE1 4.37Å; F34-F127 AromaticContact CE1-CZ 3.88Å; F34-F127 HydrophobicContact CE1-CZ 3.88Å; F34-F127 AromaticContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CE2-CZ 3.83Å; F34-F127 HydrophobicContact CG-CE2 4.42Å; F34-F127 HydrophobicContact CG-CZ 4.03Å; F34-F127 HydrophobicContact CZ-CE1 4.43Å; F34-F127 AromaticContact CZ-CZ 3.79Å; F34-F127 HydrophobicContact CZ-CZ 3.79Å; W36-F127 HydrophobicContact CZ3-CB 4.4Å; W36-F127 HydrophobicContact CZ3-CD2 4.5Å; L37-F127 HydrophobicContact CB-CD2 4.2Å; L37-F127 HydrophobicContact CD1-CB 4.48Å; L37-F127 HydrophobicContact CD2-CB 4.08Å; L37-F127 HydrophobicContact CD2-CD1 3.84Å; L37-F127 HydrophobicContact CD2-CD2 3.99Å; L37-F127 HydrophobicContact CD2-CE1 4.27Å; L37-F127 HydrophobicContact CD2-CE2 4.39Å; L37-F127 HydrophobicContact CD2-CG 3.69Å; L109-F127 HydrophobicContact CD1-CE1 4.29Å; L109-F127 HydrophobicContact CD2-CD1 4.11Å; L109-F127 HydrophobicContact CD2-CE1 3.46Å; L109-F127 VanDerWaalsContact CD2-CE1 3.46Å; L109-F127 HydrophobicContact CD2-CZ 4.21Å; G123-F127 WeakPolarHBondContact O-CB 3.31Å; G123-F127 PolarHBondContact O-N 2.82Å; F124-F127 WeakPolarHBondContact O-CB 3.32Å; F124-F127 PolarHBondContact O-N 2.88Å; R125-F127 VanDerWaalsContact C-N 3.26Å; R125-F127 PolarHBondContact O-N 2.84Å; F127-L134 HydrophobicContact CD2-CD1 3.93Å |
| 128 | L | 97.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -86.9 | -24.1 | -179 | -65.3 | 178.6 | 0 | 0 | 0 | 114.6 | I11 T13 F20 V27 F124 R125 V126 | I11-L128 HydrophobicContact CG2-CD2 4.04Å; T13-L128 HydrophobicContact CG2-CB 4.38Å; T13-L128 HydrophobicContact CG2-CD1 4.06Å; F20-L128 HydrophobicContact CE1-CB 4.07Å; F20-L128 HydrophobicContact CE1-CD1 4.37Å; F20-L128 HydrophobicContact CZ-CD1 4.14Å; V27-L128 VanDerWaalsContact CG1-O 3.24Å; V27-L128 WeakPolarHBondContact CG1-O 3.44Å; V27-L128 WeakPolarHBondContact CG2-O 3.25Å; F124-L128 HydrophobicContact CD1-CD1 4.37Å; F124-L128 HydrophobicContact CD2-CD1 4.26Å; F124-L128 HydrophobicContact CD2-CG 4.21Å; F124-L128 HydrophobicContact CE1-CD1 3.91Å; F124-L128 HydrophobicContact CE2-CD1 3.81Å; F124-L128 HydrophobicContact CE2-CD2 4.05Å; F124-L128 HydrophobicContact CE2-CG 3.93Å; F124-L128 HydrophobicContact CZ-CD1 3.63Å; F124-L128 HydrophobicContact CZ-CD2 4.47Å; F124-L128 HydrophobicContact CZ-CG 4.27Å; F124-L128 WeakPolarHBondContact O-CG 3.43Å; F124-L128 PolarHBondContact O-N 3Å; R125-L128 PolarHBondContact O-N 3.5Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 3.21Å |
| 129 | E | 95.2 | Very high | 88.5 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -113.2 | -26.5 | -169.1 | -176.9 | 178.2 | -110.5 | 0 | 0 | 114.1 | F20 K21 R125 V126 E131 | F20-E129 WeakPolarHBondContact CA-OE1 3.47Å; F20-E129 HydrophobicContact CD1-CB 4.34Å; K21-E129 WeakPolarHBondContact CA-OE1 3.49Å; K21-E129 VanDerWaalsContact CB-OE1 3.29Å; K21-E129 WeakPolarHBondContact CB-OE1 3.39Å; K21-E129 PolarHBondContact N-OE1 2.73Å; R125-E129 WeakPolarHBondContact O-CB 3.37Å; R125-E129 PolarHBondContact O-N 2.72Å; V126-E129 PolarHBondContact O-N 3.27Å; E129-E131 PolarHBondContact O-N 3.38Å; E129-E131 VanDerWaalsContact O-N 3.11Å |
| 130 | F | 93.8 | Very high | 87.2 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | trans | -68.6 | 113.4 | -174.1 | -170.4 | -110.1 | 0 | 0 | 0 | 111.4 | V27 R29 V126 E132 L134 | V27-F130 WeakPolarHBondContact CG1-O 3.34Å; R29-F130 VanDerWaalsContact CZ-O 3.31Å; R29-F130 PolarHBondContact NH1-O 3.47Å; R29-F130 PolarHBondContact NH2-O 2.95Å; V126-F130 HydrophobicContact CG1-CB 4.09Å; V126-F130 WeakPolarHBondContact O-CB 3.12Å; V126-F130 PolarHBondContact O-N 2.72Å; F130-E132 VanDerWaalsContact C-N 3.33Å; F130-E132 HydrophobicContact CD1-CB 4.22Å; F130-E132 VanDerWaalsContact CD1-O 3.26Å; F130-E132 WeakPolarHBondContact CD1-O 3.39Å; F130-E132 HydrophobicContact CE1-CB 3.58Å; F130-E132 HydrophobicContact CZ-CB 3.92Å; F130-E132 PolarHBondContact O-N 3.43Å; F130-L134 HydrophobicContact CB-CD2 4.02Å; F130-L134 HydrophobicContact CD1-CD2 3.61Å; F130-L134 HydrophobicContact CD1-CG 4.39Å; F130-L134 HydrophobicContact CE1-CD2 4.43Å; F130-L134 HydrophobicContact CG-CD2 4.1Å | ||
| 131 | E | 90 | Very high | 85.9 | Confident | 157 Ų | 157 | 76.7 Ų | 76.7 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | trans | -68.1 | -31.3 | -170.7 | -65.1 | 178.4 | -174.3 | 0 | 0 | 113.5 | E129 | E129-E131 PolarHBondContact O-N 3.38Å; E129-E131 VanDerWaalsContact O-N 3.11Å | ||
| 132 | E | 89.5 | Confident | 84.5 | Confident | 134 Ų | 134 | 84.7 Ų | 84.7 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -82.8 | 171.4 | 179.1 | -59.6 | 179.3 | -175.4 | 0 | 0 | 111.8 | R29 F130 | R29-E132 PolarHBondContact NH1-O 3.38Å; R29-E132 VanDerWaalsContact NH1-O 3.16Å; F130-E132 VanDerWaalsContact C-N 3.33Å; F130-E132 HydrophobicContact CD1-CB 4.22Å; F130-E132 VanDerWaalsContact CD1-O 3.26Å; F130-E132 WeakPolarHBondContact CD1-O 3.39Å; F130-E132 HydrophobicContact CE1-CB 3.58Å; F130-E132 HydrophobicContact CZ-CB 3.92Å; F130-E132 PolarHBondContact O-N 3.43Å |
| 133 | E | 83.5 | Confident | 83.5 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 54% | 0.537 | 38% | 0.379 | S | S | . | . | trans | -64.3 | 134.8 | 170.4 | -64.8 | -172.8 | 178.7 | 0 | 0 | 109.8 | N135 | E133-N135 PolarHBondContact O-N 3.25Å; E133-N135 PolarHBondContact O-ND2 3.12Å | ||
| 134 | L | 84.6 | Confident | 82.5 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | trans | -68 | -1.2 | 178.5 | -63.9 | 167.8 | 0 | 0 | 0 | 112.9 | E33 W36 V126 F127 F130 V136 | E33-L134 HydrophobicContact CB-CD1 4.31Å; E33-L134 VanDerWaalsContact OE1-CB 3.24Å; E33-L134 WeakPolarHBondContact OE1-CB 3.46Å; E33-L134 WeakPolarHBondContact OE1-CG 3.29Å; E33-L134 PolarHBondContact OE1-N 2.92Å; E33-L134 VanDerWaalsContact OE1-N 3.13Å; W36-L134 HydrophobicContact CE3-CD1 4.16Å; W36-L134 HydrophobicContact CZ3-CD1 3.88Å; V126-L134 HydrophobicContact CG1-CD2 3.69Å; F127-L134 HydrophobicContact CD2-CD1 3.93Å; F130-L134 HydrophobicContact CB-CD2 4.02Å; F130-L134 HydrophobicContact CD1-CD2 3.61Å; F130-L134 HydrophobicContact CD1-CG 4.39Å; F130-L134 HydrophobicContact CE1-CD2 4.43Å; F130-L134 HydrophobicContact CG-CD2 4.1Å; L134-V136 HydrophobicContact CB-CG2 3.56Å; L134-V136 PolarHBondContact O-N 3.43Å; L134-V136 VanDerWaalsContact O-N 3.13Å | ||
| 135 | N | 78 | Confident | 80.9 | Confident | 132 Ų | 132 | 91 Ų | 91 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | trans | 46.1 | 44.4 | -178.8 | -77.6 | -56.6 | 0 | 0 | 0 | 112.3 | E133 R137 | E133-N135 PolarHBondContact O-N 3.25Å; E133-N135 PolarHBondContact O-ND2 3.12Å; N135-R137 PolarHBondContact O-N 3.05Å | ||
| 136 | V | 77.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 91.1 Ų | 91.1 | 22% | 0.218 | 43% | 0.433 | C | S | . | . | trans | -70.6 | 120.5 | -173.9 | -161.6 | 0 | 0 | 0 | 0 | 109 | E33 W36 L134 N138 | E33-V136 HydrophobicContact CB-CG2 4.3Å; E33-V136 HydrophobicContact CG-CG2 3.71Å; W36-V136 HydrophobicContact CB-CB 4.42Å; W36-V136 HydrophobicContact CB-CG1 3.4Å; W36-V136 HydrophobicContact CB-CG2 4.35Å; W36-V136 VanDerWaalsContact CD1-CG1 3.47Å; W36-V136 HydrophobicContact CD2-CG1 4.35Å; W36-V136 HydrophobicContact CD2-CG2 4.47Å; W36-V136 HydrophobicContact CG-CG1 3.44Å; W36-V136 VanDerWaalsContact CG-CG1 3.44Å; W36-V136 HydrophobicContact CG-CG2 4.28Å; L134-V136 HydrophobicContact CB-CG2 3.56Å; L134-V136 PolarHBondContact O-N 3.43Å; L134-V136 VanDerWaalsContact O-N 3.13Å; V136-N138 PolarHBondContact O-N 2.94Å | ||
| 137 | R | 69.7 | Low | 78.4 | Confident | 182 Ų | 182 | 91.6 Ų | 91.6 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | trans | -58.6 | 114.8 | -179.9 | 177.5 | 177.1 | 165.5 | 171.5 | -5.6 | 109.8 | N135 K139 E143 | N135-R137 PolarHBondContact O-N 3.05Å; R137-K139 PolarHBondContact O-N 2.72Å; R137-E143 IonicContact CZ-OE1 3.62Å; R137-E143 IonicContact NE-OE1 2.78Å; R137-E143 IonicContact NH2-OE1 3.86Å; R137-E143 PolarHBondContact NH2-OE1 3.04Å; R137-E143 IonicContact NH2-OE2 3.7Å | ||
| 138 | N | 67 | Low | 77 | Confident | 88 Ų | 88 | 98 Ų | 98 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 126 | 168.8 | -78.3 | -42 | 0 | 0 | 0 | 109.8 | V136 T140 | V136-N138 PolarHBondContact O-N 2.94Å; N138-T140 PolarHBondContact O-N 2.92Å |
| 139 | K | 68 | Low | 75 | Confident | 79 Ų | 79 | 103 Ų | 103 | 34% | 0.343 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 121.6 | 172.8 | -65.5 | 179.7 | 177.4 | 177 | 0 | 109.2 | D39 R137 E143 K144 D147 | D39-K139 IonicContact OD2-NZ 3.45Å; D39-K139 PolarHBondContact OD2-NZ 2.88Å; R137-K139 PolarHBondContact O-N 2.72Å; K139-E143 WeakPolarHBondContact CA-OE2 3.4Å; K139-E143 HydrophobicContact CB-CB 4.02Å; K139-K144 HydrophobicContact CB-CG 4Å; K139-K144 WeakPolarHBondContact O-CE 2.98Å; K139-D147 WeakPolarHBondContact CD-OD2 3.13Å; K139-D147 VanDerWaalsContact CE-OD2 3.27Å; K139-D147 WeakPolarHBondContact CE-OD2 3.44Å; K139-D147 IonicContact NZ-OD2 3.35Å; K139-D147 PolarHBondContact NZ-OD2 3Å |
| 140 | T | 70.3 | Confident | 73.7 | Confident | 71 Ų | 71 | 109.7 Ų | 109.7 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 160.3 | 174 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | N138 K142 E143 K144 | N138-T140 PolarHBondContact O-N 2.92Å; T140-K142 PolarHBondContact O-N 3.17Å; T140-K142 VanDerWaalsContact O-N 3.13Å; T140-E143 WeakPolarHBondContact CB-OE2 3.18Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.3Å; T140-E143 VanDerWaalsContact OG1-CG 3.3Å; T140-E143 WeakPolarHBondContact OG1-CG 3.42Å; T140-E143 PolarHBondContact OG1-N 3.31Å; T140-E143 PolarHBondContact OG1-OE2 2.98Å; T140-K144 PolarHBondContact O-N 3.06Å |
| 141 | R | 69.4 | Low | 72.6 | Confident | 234 Ų | 234 | 108.4 Ų | 108.4 | 88% | 0.883 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.3 | -34.1 | 178.6 | -164.2 | 176.6 | -174.6 | 178.7 | 1.8 | 112.6 | A145 | R141-A145 PolarHBondContact O-N 3.19Å; R141-A145 VanDerWaalsContact O-N 3.09Å |
| 142 | K | 67 | Low | 71 | Confident | 177 Ų | 177 | 104.6 Ų | 104.6 | 77% | 0.77 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -47.4 | 173.3 | -72.6 | -173.7 | 177.1 | -178.6 | 0 | 111.8 | T140 K144 A145 V146 | T140-K142 PolarHBondContact O-N 3.17Å; T140-K142 VanDerWaalsContact O-N 3.13Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-K144 PolarHBondContact O-N 3.23Å; K142-A145 WeakPolarHBondContact O-CB 3.24Å; K142-A145 PolarHBondContact O-N 2.99Å; K142-A145 VanDerWaalsContact O-N 3.16Å; K142-V146 WeakPolarHBondContact O-CG2 3.37Å; K142-V146 PolarHBondContact O-N 3.46Å |
| 143 | E | 73.9 | Confident | 69.5 | Low | 60 Ų | 60 | 101.9 Ų | 101.9 | 28% | 0.28 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.7 | -72.5 | 161.1 | 159.6 | 0 | 0 | 111.4 | R137 K139 T140 A145 V146 D147 | R137-E143 IonicContact CZ-OE1 3.62Å; R137-E143 IonicContact NE-OE1 2.78Å; R137-E143 IonicContact NH2-OE1 3.86Å; R137-E143 PolarHBondContact NH2-OE1 3.04Å; R137-E143 IonicContact NH2-OE2 3.7Å; K139-E143 WeakPolarHBondContact CA-OE2 3.4Å; K139-E143 HydrophobicContact CB-CB 4.02Å; T140-E143 WeakPolarHBondContact CB-OE2 3.18Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.3Å; T140-E143 VanDerWaalsContact OG1-CG 3.3Å; T140-E143 WeakPolarHBondContact OG1-CG 3.42Å; T140-E143 PolarHBondContact OG1-N 3.31Å; T140-E143 PolarHBondContact OG1-OE2 2.98Å; E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 2.95Å; E143-V146 PolarHBondContact O-N 3.22Å; E143-V146 VanDerWaalsContact O-N 3.17Å; E143-D147 WeakPolarHBondContact O-CB 3.43Å; E143-D147 PolarHBondContact O-N 3.32Å |
| 144 | K | 73.1 | Confident | 68.7 | Low | 132 Ų | 132 | 99.4 Ų | 99.4 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.1 | -38.3 | 173.5 | -68.4 | -174.7 | -180 | -176 | 0 | 112.7 | K139 T140 K142 F148 | K139-K144 HydrophobicContact CB-CG 4Å; K139-K144 WeakPolarHBondContact O-CE 2.98Å; T140-K144 PolarHBondContact O-N 3.06Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-K144 PolarHBondContact O-N 3.23Å; K144-F148 WeakPolarHBondContact O-CB 3.33Å; K144-F148 PolarHBondContact O-N 3.45Å |
| 145 | A | 64 | Low | 68 | Low | 52 Ų | 52 | 100.9 Ų | 100.9 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R141 K142 E143 F148 L149 | R141-A145 PolarHBondContact O-N 3.19Å; R141-A145 VanDerWaalsContact O-N 3.09Å; K142-A145 WeakPolarHBondContact O-CB 3.24Å; K142-A145 PolarHBondContact O-N 2.99Å; K142-A145 VanDerWaalsContact O-N 3.16Å; E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 2.95Å; A145-F148 PolarHBondContact O-N 3.37Å; A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.93Å |
| 146 | V | 69.7 | Low | 67.5 | Low | 68 Ų | 68 | 97.2 Ų | 97.2 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | K142 E143 F148 L149 R150 | K142-V146 WeakPolarHBondContact O-CG2 3.37Å; K142-V146 PolarHBondContact O-N 3.46Å; E143-V146 PolarHBondContact O-N 3.22Å; E143-V146 VanDerWaalsContact O-N 3.17Å; V146-F148 VanDerWaalsContact C-N 3.35Å; V146-L149 PolarHBondContact O-N 3.37Å; V146-R150 HydrophobicContact CG1-CG 4.42Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 WeakPolarHBondContact O-CG 3.46Å; V146-R150 PolarHBondContact O-N 3.43Å |
| 147 | D | 67.8 | Low | 67.3 | Low | 50 Ų | 50 | 97.6 Ų | 97.6 | 27% | 0.267 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 176.3 | -78.7 | -1.1 | 0 | 0 | 0 | 112 | K139 E143 R150 S151 | K139-D147 WeakPolarHBondContact CD-OD2 3.13Å; K139-D147 VanDerWaalsContact CE-OD2 3.27Å; K139-D147 WeakPolarHBondContact CE-OD2 3.44Å; K139-D147 IonicContact NZ-OD2 3.35Å; K139-D147 PolarHBondContact NZ-OD2 3Å; E143-D147 WeakPolarHBondContact O-CB 3.43Å; E143-D147 PolarHBondContact O-N 3.32Å; D147-R150 PolarHBondContact O-N 3.22Å; D147-S151 WeakPolarHBondContact O-CB 3.18Å; D147-S151 PolarHBondContact O-N 3.3Å; D147-S151 PolarHBondContact O-OG 3.32Å |
| 148 | F | 67.2 | Low | 67.6 | Low | 135 Ų | 135 | 89.5 Ų | 89.5 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 171.9 | 177.7 | -94.6 | 0 | 0 | 0 | 111.9 | K144 A145 V146 R150 S151 V152 | K144-F148 WeakPolarHBondContact O-CB 3.33Å; K144-F148 PolarHBondContact O-N 3.45Å; A145-F148 PolarHBondContact O-N 3.37Å; V146-F148 VanDerWaalsContact C-N 3.35Å; F148-R150 VanDerWaalsContact C-N 3.32Å; F148-R150 PolarHBondContact O-N 3.13Å; F148-S151 PolarHBondContact O-N 2.99Å; F148-S151 PolarHBondContact O-OG 3.15Å; F148-V152 HydrophobicContact CD1-CG2 4.39Å; F148-V152 HydrophobicContact CE1-CG2 3.96Å; F148-V152 HydrophobicContact CE2-CG2 4.28Å; F148-V152 HydrophobicContact CZ-CG2 3.9Å; F148-V152 WeakPolarHBondContact O-CG2 3.49Å; F148-V152 PolarHBondContact O-N 3.47Å |
| 149 | L | 55.4 | Low | 68.1 | Low | 116 Ų | 116 | 88.3 Ų | 88.3 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 175.3 | -70.8 | 172 | 0 | 0 | 0 | 111.5 | A145 V146 S153 | A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.93Å; V146-L149 PolarHBondContact O-N 3.37Å; L149-S153 VanDerWaalsContact O-CB 3.22Å; L149-S153 WeakPolarHBondContact O-CB 3.35Å; L149-S153 PolarHBondContact O-N 3.44Å |
| 150 | R | 69.1 | Low | 68.5 | Low | 168 Ų | 168 | 89.5 Ų | 89.5 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 174.4 | -78 | 178.9 | 179.4 | -174.7 | -0.9 | 111.8 | V146 D147 F148 S153 K154 | V146-R150 HydrophobicContact CG1-CG 4.42Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 WeakPolarHBondContact O-CG 3.46Å; V146-R150 PolarHBondContact O-N 3.43Å; D147-R150 PolarHBondContact O-N 3.22Å; F148-R150 VanDerWaalsContact C-N 3.32Å; F148-R150 PolarHBondContact O-N 3.13Å; R150-S153 PolarHBondContact O-N 3.47Å; R150-K154 WeakPolarHBondContact O-CA 3.36Å; R150-K154 WeakPolarHBondContact O-CB 3.34Å; R150-K154 PolarHBondContact O-N 2.96Å |
| 151 | S | 69.7 | Low | 68.7 | Low | 58 Ų | 58 | 89.6 Ų | 89.6 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.9 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | D147 F148 K154 S155 | D147-S151 WeakPolarHBondContact O-CB 3.18Å; D147-S151 PolarHBondContact O-N 3.3Å; D147-S151 PolarHBondContact O-OG 3.32Å; F148-S151 PolarHBondContact O-N 2.99Å; F148-S151 PolarHBondContact O-OG 3.15Å; S151-K154 PolarHBondContact O-N 2.94Å; S151-S155 PolarHBondContact O-N 2.88Å; S151-S155 PolarHBondContact O-OG 3.29Å |
| 152 | V | 56.1 | Low | 69.1 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 173.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | F148 K154 S155 A156 | F148-V152 HydrophobicContact CD1-CG2 4.39Å; F148-V152 HydrophobicContact CE1-CG2 3.96Å; F148-V152 HydrophobicContact CE2-CG2 4.28Å; F148-V152 HydrophobicContact CZ-CG2 3.9Å; F148-V152 WeakPolarHBondContact O-CG2 3.49Å; F148-V152 PolarHBondContact O-N 3.47Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 3.46Å; V152-S155 PolarHBondContact O-N 3.43Å; V152-A156 PolarHBondContact O-N 3.47Å |
| 153 | S | 58.3 | Low | 69.5 | Low | 76 Ų | 76 | 77 Ų | 77 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | L149 R150 A156 D157 | L149-S153 VanDerWaalsContact O-CB 3.22Å; L149-S153 WeakPolarHBondContact O-CB 3.35Å; L149-S153 PolarHBondContact O-N 3.44Å; R150-S153 PolarHBondContact O-N 3.47Å; S153-A156 PolarHBondContact O-N 2.82Å; S153-D157 WeakPolarHBondContact O-CB 3.41Å; S153-D157 PolarHBondContact O-N 3.49Å |
| 154 | K | 67.8 | Low | 69.8 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.8 | -172.3 | -171.1 | -179.9 | -160.2 | 0 | 109.7 | R150 S151 V152 A156 D157 E158 D272 Y275 | R150-K154 WeakPolarHBondContact O-CA 3.36Å; R150-K154 WeakPolarHBondContact O-CB 3.34Å; R150-K154 PolarHBondContact O-N 2.96Å; S151-K154 PolarHBondContact O-N 2.94Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 3.46Å; K154-A156 PolarHBondContact O-N 2.64Å; K154-D157 PolarHBondContact O-N 3.02Å; K154-E158 WeakPolarHBondContact O-CA 3.11Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3.2Å; K154-D272 VanDerWaalsContact CE-OD1 3.32Å; K154-D272 WeakPolarHBondContact CE-OD1 3.34Å; K154-D272 IonicContact NZ-OD1 3.11Å; K154-D272 PolarHBondContact NZ-OD1 2.87Å; K154-D272 IonicContact NZ-OD2 2.7Å; K154-D272 PolarHBondContact NZ-OD2 3.45Å; K154-Y275 HydrophobicContact CG-CE1 4.38Å |
| 155 | S | 69.3 | Low | 70 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 178.5 | -66 | 0 | 0 | 0 | 0 | 113.4 | S151 V152 T159 | S151-S155 PolarHBondContact O-N 2.88Å; S151-S155 PolarHBondContact O-OG 3.29Å; V152-S155 PolarHBondContact O-N 3.43Å; S155-T159 WeakPolarHBondContact O-CB 3.48Å; S155-T159 PolarHBondContact O-N 2.94Å; S155-T159 PolarHBondContact O-OG1 3Å |
| 156 | A | 66.7 | Low | 70.8 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.1 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V152 S153 K154 T159 L160 | V152-A156 PolarHBondContact O-N 3.47Å; S153-A156 PolarHBondContact O-N 2.82Å; K154-A156 PolarHBondContact O-N 2.64Å; A156-T159 PolarHBondContact O-N 3.49Å; A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 3.06Å |
| 157 | D | 73 | Confident | 71.5 | Confident | 44 Ų | 44 | 80 Ų | 80 | 24% | 0.235 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 175.4 | -168.6 | 59.7 | 0 | 0 | 0 | 110.6 | S153 K154 T159 L160 W161 Y275 R279 | S153-D157 WeakPolarHBondContact O-CB 3.41Å; S153-D157 PolarHBondContact O-N 3.49Å; K154-D157 PolarHBondContact O-N 3.02Å; D157-T159 PolarHBondContact O-N 3.1Å; D157-L160 CarbonylContact O-C 3.58Å; D157-L160 WeakPolarHBondContact O-CB 3.21Å; D157-L160 PolarHBondContact O-N 3.12Å; D157-L160 VanDerWaalsContact O-N 3.1Å; D157-W161 PolarHBondContact O-N 3.07Å; D157-W161 PolarHBondContact OD1-NE1 3.21Å; D157-W161 PolarHBondContact OD2-NE1 3.43Å; D157-Y275 PolarHBondContact OD2-OH 3.33Å; D157-R279 IonicContact OD2-NH1 3.04Å |
| 158 | E | 77.2 | Confident | 72.4 | Confident | 13 Ų | 13 | 85.3 Ų | 85.3 | 6% | 0.061 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -54.4 | -50.7 | 176.4 | -172 | -151.8 | 142.2 | 0 | 0 | 110.7 | K154 L160 W161 L162 R271 Y275 | K154-E158 WeakPolarHBondContact O-CA 3.11Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3.2Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.43Å; E158-W161 PolarHBondContact O-N 3.42Å; E158-L162 HydrophobicContact CG-CD1 3.75Å; E158-L162 HydrophobicContact CG-CG 4.3Å; E158-L162 WeakPolarHBondContact O-CB 3.23Å; E158-L162 WeakPolarHBondContact O-CG 3.23Å; E158-L162 PolarHBondContact O-N 2.87Å; E158-R271 IonicContact OE1-CZ 2.81Å; E158-R271 VanDerWaalsContact OE1-CZ 3.25Å; E158-R271 IonicContact OE1-NE 3.04Å; E158-R271 PolarHBondContact OE1-NE 3.46Å; E158-R271 IonicContact OE1-NH2 3.36Å; E158-R271 PolarHBondContact OE1-NH2 3.33Å; E158-R271 IonicContact OE2-NH2 2.65Å; E158-Y275 HydrophobicContact CB-CD2 3.93Å; E158-Y275 HydrophobicContact CB-CE2 4.29Å; E158-Y275 HydrophobicContact CB-CG 4.23Å; E158-Y275 HydrophobicContact CG-CD2 3.93Å; E158-Y275 HydrophobicContact CG-CG 3.86Å |
| 159 | T | 77.9 | Confident | 73.6 | Confident | 63 Ų | 63 | 82 Ų | 82 | 39% | 0.387 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178 | -56 | 0 | 0 | 0 | 0 | 111.6 | S155 A156 D157 N163 | S155-T159 WeakPolarHBondContact O-CB 3.48Å; S155-T159 PolarHBondContact O-N 2.94Å; S155-T159 PolarHBondContact O-OG1 3Å; A156-T159 PolarHBondContact O-N 3.49Å; D157-T159 PolarHBondContact O-N 3.1Å; T159-N163 VanDerWaalsContact O-CB 3.3Å; T159-N163 WeakPolarHBondContact O-CB 3.24Å; T159-N163 PolarHBondContact O-N 3.35Å; T159-N163 PolarHBondContact O-ND2 3.4Å; T159-N163 VanDerWaalsContact O-ND2 3.14Å |
| 160 | L | 75.4 | Confident | 75.4 | Confident | 103 Ų | 103 | 81 Ų | 81 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 178.1 | -72.6 | 169.6 | 0 | 0 | 0 | 112.2 | A156 D157 E158 N163 N164 | A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 3.06Å; D157-L160 CarbonylContact O-C 3.58Å; D157-L160 WeakPolarHBondContact O-CB 3.21Å; D157-L160 PolarHBondContact O-N 3.12Å; D157-L160 VanDerWaalsContact O-N 3.1Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.43Å; L160-N163 PolarHBondContact O-N 2.78Å; L160-N164 WeakPolarHBondContact O-CB 3.31Å; L160-N164 PolarHBondContact O-N 3.21Å; L160-N164 PolarHBondContact O-ND2 3.35Å |
| 161 | W | 74.1 | Confident | 76.7 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | -179.8 | -76.9 | 103.5 | 0 | 0 | 0 | 112.1 | D157 E158 N163 N164 Q165 Y275 A282 | D157-W161 PolarHBondContact O-N 3.07Å; D157-W161 PolarHBondContact OD1-NE1 3.21Å; D157-W161 PolarHBondContact OD2-NE1 3.43Å; E158-W161 PolarHBondContact O-N 3.42Å; W161-N163 PolarHBondContact O-N 3.2Å; W161-N164 PolarHBondContact O-N 3.33Å; W161-Q165 WeakPolarHBondContact O-CB 3.38Å; W161-Q165 PolarHBondContact O-N 3.46Å; W161-Y275 HydrophobicContact CB-CD2 4.23Å; W161-Y275 HydrophobicContact CB-CE2 4.19Å; W161-Y275 AromaticContact CD1-CE2 3.84Å; W161-Y275 HydrophobicContact CG-CE2 4.23Å; W161-A282 HydrophobicContact CE3-CB 4.18Å; W161-A282 HydrophobicContact CH2-CB 4.07Å; W161-A282 HydrophobicContact CZ3-CB 3.48Å; W161-A282 VanDerWaalsContact CZ3-CB 3.48Å |
| 162 | L | 78.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 12% | 0.12 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 178.6 | -71.9 | 177.4 | 0 | 0 | 0 | 111.8 | E158 K176 L274 | E158-L162 HydrophobicContact CG-CD1 3.75Å; E158-L162 HydrophobicContact CG-CG 4.3Å; E158-L162 WeakPolarHBondContact O-CB 3.23Å; E158-L162 WeakPolarHBondContact O-CG 3.23Å; E158-L162 PolarHBondContact O-N 2.87Å; L162-K176 HydrophobicContact CD2-CG 4.46Å; L162-L274 HydrophobicContact CD2-CB 3.82Å |
| 163 | N | 75.9 | Confident | 79.6 | Confident | 123 Ų | 123 | 71 Ų | 71 | 66% | 0.658 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -87 | -32.2 | -179.1 | -68.3 | -17 | 0 | 0 | 0 | 113.9 | T159 L160 W161 | T159-N163 VanDerWaalsContact O-CB 3.3Å; T159-N163 WeakPolarHBondContact O-CB 3.24Å; T159-N163 PolarHBondContact O-N 3.35Å; T159-N163 PolarHBondContact O-ND2 3.4Å; T159-N163 VanDerWaalsContact O-ND2 3.14Å; L160-N163 PolarHBondContact O-N 2.78Å; W161-N163 PolarHBondContact O-N 3.2Å |
| 164 | N | 79 | Confident | 81.3 | Confident | 118 Ų | 118 | 73.1 Ų | 73.1 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -100.1 | -23.3 | -173 | -66 | -34.2 | 0 | 0 | 0 | 114.1 | L160 W161 R166 | L160-N164 WeakPolarHBondContact O-CB 3.31Å; L160-N164 PolarHBondContact O-N 3.21Å; L160-N164 PolarHBondContact O-ND2 3.35Å; W161-N164 PolarHBondContact O-N 3.33Å; N164-R166 PolarHBondContact O-N 3.46Å; N164-R166 VanDerWaalsContact O-N 3.09Å |
| 165 | Q | 78 | Confident | 82.6 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -72.3 | 107.5 | -179.4 | -170.8 | 64.5 | 9.6 | 0 | 0 | 109.8 | W161 D167 C278 L281 E285 | W161-Q165 WeakPolarHBondContact O-CB 3.38Å; W161-Q165 PolarHBondContact O-N 3.46Å; Q165-D167 PolarHBondContact O-N 2.89Å; Q165-C278 HydrophobicContact CB-CB 4.45Å; Q165-C278 HydrophobicContact CG-CB 4.42Å; Q165-L281 HydrophobicContact CG-CD2 4.04Å; Q165-E285 VanDerWaalsContact NE2-CD 3.3Å; Q165-E285 PolarHBondContact NE2-OE1 3.36Å; Q165-E285 PolarHBondContact NE2-OE2 2.77Å |
| 166 | R | 80.7 | Confident | 83.7 | Confident | 217 Ų | 217 | 68.5 Ų | 68.5 | 82% | 0.819 | 35% | 0.353 | S | S | * | . | trans | -66.3 | 124.8 | 174.5 | -70.5 | -172.6 | 179.1 | -179.3 | 0.1 | 109.1 | N164 | N164-R166 PolarHBondContact O-N 3.46Å; N164-R166 VanDerWaalsContact O-N 3.09Å | ||
| 167 | D | 85.4 | Confident | 84.8 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | trans | -123 | 118.1 | -177 | -159.7 | -23.4 | 0 | 0 | 0 | 107.2 | Q165 D169 C173 K176 R277 L281 | Q165-D167 PolarHBondContact O-N 2.89Å; D167-D169 PolarHBondContact O-N 2.68Å; D167-D169 WeakPolarHBondContact OD1-CB 3.37Å; D167-D169 PolarHBondContact OD1-N 2.81Å; D167-C173 PolarHBondContact O-SG 2.89Å; D167-K176 IonicContact OD2-NZ 2.84Å; D167-K176 PolarHBondContact OD2-NZ 2.97Å; D167-R277 IonicContact OD1-CZ 3.61Å; D167-R277 IonicContact OD1-NH1 2.66Å; D167-R277 IonicContact OD1-NH2 3.66Å; D167-R277 PolarHBondContact OD1-NH2 3.04Å; D167-R277 IonicContact OD2-CZ 2.91Å; D167-R277 IonicContact OD2-NH1 3.27Å; D167-R277 PolarHBondContact OD2-NH1 2.88Å; D167-R277 IonicContact OD2-NH2 3.98Å; D167-L281 HydrophobicContact CB-CD2 4.37Å | ||
| 168 | N | 85.8 | Confident | 85.9 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | trans | -79.7 | -7.9 | -179 | -64.4 | -37.2 | 0 | 0 | 0 | 111.9 | T170 | N168-T170 PolarHBondContact O-N 3.47Š| ||
| 169 | D | 92.8 | Very high | 86.7 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | trans | -81 | 114.4 | 177 | -168.9 | -56.9 | 0 | 0 | 0 | 110.6 | D167 F171 F172 C173 | D167-D169 PolarHBondContact O-N 2.68Å; D167-D169 WeakPolarHBondContact OD1-CB 3.37Å; D167-D169 PolarHBondContact OD1-N 2.81Å; D169-F171 VanDerWaalsContact C-N 3.31Å; D169-F171 PolarHBondContact O-N 3.28Å; D169-F171 WeakPolarHBondContact OD1-CB 3.35Å; D169-F171 PolarHBondContact OD1-N 3.2Å; D169-F172 HydrophobicContact CB-CD2 3.95Å; D169-F172 VanDerWaalsContact CG-CD2 3.48Å; D169-F172 PolarHBondContact O-N 3.06Å; D169-F172 WeakPolarHBondContact OD1-CD2 3.35Å; D169-F172 PolarHBondContact OD1-N 3.49Å; D169-C173 PolarHBondContact O-N 2.8Å; D169-C173 VanDerWaalsContact O-N 3.08Å | ||
| 170 | T | 93.6 | Very high | 87.3 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.3 | -41.7 | -179.3 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | N168 F172 C173 E174 | N168-T170 PolarHBondContact O-N 3.47Å; T170-F172 PolarHBondContact O-N 3.14Å; T170-C173 PolarHBondContact O-N 2.6Å; T170-E174 HydrophobicContact CG2-CG 4.44Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.4Å; T170-E174 WeakPolarHBondContact O-CG 3.38Å; T170-E174 PolarHBondContact O-N 3.42Å |
| 171 | F | 95.9 | Very high | 88.3 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | -177.5 | 169 | -90.5 | 0 | 0 | 0 | 110.7 | D169 E174 E175 K323 L326 | D169-F171 VanDerWaalsContact C-N 3.31Å; D169-F171 PolarHBondContact O-N 3.28Å; D169-F171 WeakPolarHBondContact OD1-CB 3.35Å; D169-F171 PolarHBondContact OD1-N 3.2Å; F171-E174 PolarHBondContact O-N 2.85Å; F171-E175 VanDerWaalsContact O-CB 3.27Å; F171-E175 WeakPolarHBondContact O-CB 3.41Å; F171-E175 PolarHBondContact O-N 2.97Å; F171-K323 HydrophobicContact CD1-CD 4.44Å; F171-K323 HydrophobicContact CD1-CG 4.23Å; F171-K323 HydrophobicContact CE1-CB 4.11Å; F171-K323 HydrophobicContact CE1-CD 4.47Å; F171-K323 HydrophobicContact CE1-CG 3.78Å; F171-K323 HydrophobicContact CE2-CG 4.23Å; F171-K323 HydrophobicContact CZ-CB 4.45Å; F171-K323 HydrophobicContact CZ-CG 3.78Å; F171-L326 HydrophobicContact CE1-CD1 4.17Å; F171-L326 HydrophobicContact CZ-CB 4.36Å |
| 172 | F | 95.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.8 | -31.6 | -178.4 | -70.4 | -77.4 | 0 | 0 | 0 | 112.9 | D169 T170 K176 L274 R277 S319 A322 K323 L326 | D169-F172 HydrophobicContact CB-CD2 3.95Å; D169-F172 VanDerWaalsContact CG-CD2 3.48Å; D169-F172 PolarHBondContact O-N 3.06Å; D169-F172 WeakPolarHBondContact OD1-CD2 3.35Å; D169-F172 PolarHBondContact OD1-N 3.49Å; T170-F172 PolarHBondContact O-N 3.14Å; F172-K176 WeakPolarHBondContact O-CB 3.44Å; F172-K176 WeakPolarHBondContact O-CG 3.48Å; F172-K176 PolarHBondContact O-N 3.35Å; F172-L274 HydrophobicContact CD1-CD2 3.82Å; F172-L274 HydrophobicContact CE1-CD2 4.43Å; F172-R277 VanDerWaalsContact CE2-CZ 3.47Å; F172-R277 VanDerWaalsContact CZ-NE 3.31Å; F172-S319 WeakPolarHBondContact CZ-O 3.16Å; F172-A322 HydrophobicContact CE1-CB 3.91Å; F172-A322 HydrophobicContact CZ-CB 4.14Å; F172-K323 HydrophobicContact CZ-CB 4.29Å; F172-L326 HydrophobicContact CD1-CD1 4.41Å; F172-L326 HydrophobicContact CE1-CD1 4.03Å |
| 173 | C | 91.9 | Very high | 90.1 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 35% | 0.345 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -50.8 | 170.9 | -85.6 | 0 | 0 | 0 | 0 | 111.9 | D167 D169 T170 E175 K176 C177 | D167-C173 PolarHBondContact O-SG 2.89Å; D169-C173 PolarHBondContact O-N 2.8Å; D169-C173 VanDerWaalsContact O-N 3.08Å; T170-C173 PolarHBondContact O-N 2.6Å; C173-E175 VanDerWaalsContact C-N 3.32Å; C173-E175 PolarHBondContact O-N 3.4Å; C173-K176 PolarHBondContact O-N 3.19Å; C173-C177 PolarHBondContact O-N 3.2Å |
| 174 | E | 93.3 | Very high | 91 | Very high | 122 Ų | 122 | 65.6 Ų | 65.6 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 177.9 | -71.6 | 175.9 | -177.2 | 0 | 0 | 111.8 | T170 F171 C177 T178 | T170-E174 HydrophobicContact CG2-CG 4.44Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.4Å; T170-E174 WeakPolarHBondContact O-CG 3.38Å; T170-E174 PolarHBondContact O-N 3.42Å; F171-E174 PolarHBondContact O-N 2.85Å; E174-C177 PolarHBondContact O-N 3.43Å; E174-T178 WeakPolarHBondContact O-CB 3.48Å; E174-T178 PolarHBondContact O-N 3.47Å; E174-T178 PolarHBondContact O-OG1 3.44Å |
| 175 | E | 94.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.4 | -38.8 | -178.7 | -164.9 | 63.3 | -164.4 | 0 | 0 | 112.4 | F171 C173 C177 T178 L179 L326 K330 | F171-E175 VanDerWaalsContact O-CB 3.27Å; F171-E175 WeakPolarHBondContact O-CB 3.41Å; F171-E175 PolarHBondContact O-N 2.97Å; C173-E175 VanDerWaalsContact C-N 3.32Å; C173-E175 PolarHBondContact O-N 3.4Å; E175-C177 VanDerWaalsContact C-N 3.35Å; E175-C177 PolarHBondContact O-N 2.9Å; E175-T178 PolarHBondContact O-N 2.9Å; E175-L179 HydrophobicContact CG-CD1 4.08Å; E175-L179 HydrophobicContact CG-CG 4.28Å; E175-L179 WeakPolarHBondContact O-CB 3.33Å; E175-L179 PolarHBondContact O-N 3.18Å; E175-L326 HydrophobicContact CG-CD1 4.08Å; E175-L326 HydrophobicContact CG-CD2 4.17Å; E175-K330 VanDerWaalsContact CD-CE 3.42Å; E175-K330 WeakPolarHBondContact OE1-CE 3.41Å; E175-K330 IonicContact OE1-NZ 2.86Å; E175-K330 WeakPolarHBondContact OE2-CE 3.48Å; E175-K330 IonicContact OE2-NZ 3.77Å; E175-K330 PolarHBondContact OE2-NZ 3.1Å |
| 176 | K | 91.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 10% | 0.1 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -49.5 | 172.8 | -78.1 | 170.4 | -163.2 | 175.4 | 0 | 111.1 | L162 D167 F172 C173 A180 L274 C278 | L162-K176 HydrophobicContact CD2-CG 4.46Å; D167-K176 IonicContact OD2-NZ 2.84Å; D167-K176 PolarHBondContact OD2-NZ 2.97Å; F172-K176 WeakPolarHBondContact O-CB 3.44Å; F172-K176 WeakPolarHBondContact O-CG 3.48Å; F172-K176 PolarHBondContact O-N 3.35Å; C173-K176 PolarHBondContact O-N 3.19Å; K176-A180 VanDerWaalsContact O-CB 3.29Å; K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 2.87Å; K176-L274 HydrophobicContact CB-CD1 4.41Å; K176-L274 HydrophobicContact CG-CD1 3.83Å; K176-L274 HydrophobicContact CG-CD2 4.47Å; K176-C278 WeakPolarHBondContact CE-SG 3.5Å; K176-C278 PolarHBondContact NZ-SG 3.09Å |
| 177 | C | 91.6 | Very high | 93.5 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 178.2 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | C173 E174 E175 A180 V181 | C173-C177 PolarHBondContact O-N 3.2Å; E174-C177 PolarHBondContact O-N 3.43Å; E175-C177 VanDerWaalsContact C-N 3.35Å; E175-C177 PolarHBondContact O-N 2.9Å; C177-A180 PolarHBondContact O-N 3.42Å; C177-V181 WeakPolarHBondContact O-CG2 3.43Å; C177-V181 PolarHBondContact O-N 3.13Å; C177-V181 VanDerWaalsContact O-N 3.11Å |
| 178 | T | 94.2 | Very high | 94.1 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | -179.2 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | E174 E175 V181 Y182 | E174-T178 WeakPolarHBondContact O-CB 3.48Å; E174-T178 PolarHBondContact O-N 3.47Å; E174-T178 PolarHBondContact O-OG1 3.44Å; E175-T178 PolarHBondContact O-N 2.9Å; T178-V181 PolarHBondContact O-N 2.95Å; T178-Y182 VanDerWaalsContact O-CB 3.29Å; T178-Y182 WeakPolarHBondContact O-CB 3.45Å; T178-Y182 PolarHBondContact O-N 3.13Å |
| 179 | L | 94.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 178.5 | -77.8 | 179.9 | 0 | 0 | 0 | 112.3 | E175 Y182 H183 T267 A270 L274 L326 F329 | E175-L179 HydrophobicContact CG-CD1 4.08Å; E175-L179 HydrophobicContact CG-CG 4.28Å; E175-L179 WeakPolarHBondContact O-CB 3.33Å; E175-L179 PolarHBondContact O-N 3.18Å; L179-Y182 PolarHBondContact O-N 2.98Å; L179-H183 WeakPolarHBondContact O-CB 3.33Å; L179-H183 PolarHBondContact O-N 3.2Å; L179-T267 HydrophobicContact CD2-CG2 4.15Å; L179-A270 HydrophobicContact CD1-CB 3.98Å; L179-A270 HydrophobicContact CD2-CB 4.33Å; L179-L274 HydrophobicContact CB-CD1 4.45Å; L179-L274 HydrophobicContact CD1-CD1 3.58Å; L179-L274 HydrophobicContact CD1-CG 4.27Å; L179-L326 HydrophobicContact CD1-CD2 3.64Å; L179-F329 HydrophobicContact CD2-CD1 4.44Å; L179-F329 HydrophobicContact CD2-CE1 3.81Å |
| 180 | A | 91.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K176 C177 H183 S184 | K176-A180 VanDerWaalsContact O-CB 3.29Å; K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 2.87Å; C177-A180 PolarHBondContact O-N 3.42Å; A180-H183 PolarHBondContact O-N 3.39Å; A180-S184 PolarHBondContact O-N 3.22Å; A180-S184 VanDerWaalsContact O-N 3.15Å |
| 181 | V | 95.3 | Very high | 95 | Very high | 107 Ų | 107 | 51.9 Ų | 51.9 | 65% | 0.648 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 177 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | C177 T178 H183 S184 A185 | C177-V181 WeakPolarHBondContact O-CG2 3.43Å; C177-V181 PolarHBondContact O-N 3.13Å; C177-V181 VanDerWaalsContact O-N 3.11Å; T178-V181 PolarHBondContact O-N 2.95Å; V181-H183 VanDerWaalsContact C-N 3.35Å; V181-H183 PolarHBondContact O-N 3.01Å; V181-S184 PolarHBondContact O-N 3.37Å; V181-A185 WeakPolarHBondContact O-CB 3.42Å; V181-A185 PolarHBondContact O-N 2.99Å |
| 182 | Y | 96.2 | Very high | 95 | Very high | 40 Ų | 40 | 53 Ų | 53 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 179.5 | 178.2 | -117.4 | 0 | 0 | 0 | 112.2 | T178 L179 S184 A185 I186 T267 F329 R333 F337 | T178-Y182 VanDerWaalsContact O-CB 3.29Å; T178-Y182 WeakPolarHBondContact O-CB 3.45Å; T178-Y182 PolarHBondContact O-N 3.13Å; L179-Y182 PolarHBondContact O-N 2.98Å; Y182-S184 PolarHBondContact O-N 3.43Å; Y182-A185 PolarHBondContact O-N 2.75Å; Y182-I186 HydrophobicContact CE2-CB 4.35Å; Y182-I186 WeakPolarHBondContact O-CG2 3.47Å; Y182-I186 PolarHBondContact O-N 3.19Å; Y182-T267 HydrophobicContact CD1-CG2 3.7Å; Y182-T267 HydrophobicContact CE1-CG2 4.11Å; Y182-T267 WeakPolarHBondContact CE1-OG1 3.32Å; Y182-F329 HydrophobicContact CE1-CZ 4.28Å; Y182-R333 WeakPolarHBondContact OH-CD 3.43Å; Y182-F337 VanDerWaalsContact OH-CE2 3.23Å; Y182-F337 WeakPolarHBondContact OH-CE2 3.1Å; Y182-F337 WeakPolarHBondContact OH-CZ 3.49Å |
| 183 | H | 94.5 | Very high | 95.1 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 178.4 | -169.4 | 72.9 | 0 | 0 | 0 | 112.7 | L179 A180 V181 I186 K187 A264 T267 R271 | L179-H183 WeakPolarHBondContact O-CB 3.33Å; L179-H183 PolarHBondContact O-N 3.2Å; A180-H183 PolarHBondContact O-N 3.39Å; V181-H183 VanDerWaalsContact C-N 3.35Å; V181-H183 PolarHBondContact O-N 3.01Å; H183-I186 WeakPolarHBondContact O-CG2 3.35Å; H183-K187 VanDerWaalsContact NE2-CE 3.25Å; H183-K187 WeakPolarHBondContact NE2-CE 3.45Å; H183-K187 PolarHBondContact NE2-NZ 3.06Å; H183-K187 WeakPolarHBondContact O-CB 3.47Å; H183-K187 WeakPolarHBondContact O-CG 3.41Å; H183-K187 PolarHBondContact O-N 2.86Å; H183-A264 PolarHBondContact CE1-O 3.49Å; H183-T267 HydrophobicContact CB-CG2 3.67Å; H183-T267 WeakPolarHBondContact ND1-CG2 3.45Å; H183-R271 PolarHBondContact CD2-NH1 3.46Å |
| 184 | S | 95.3 | Very high | 95.1 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -51.7 | 173.6 | -164.6 | 0 | 0 | 0 | 0 | 110.4 | A180 V181 Y182 I186 K187 D188 | A180-S184 PolarHBondContact O-N 3.22Å; A180-S184 VanDerWaalsContact O-N 3.15Å; V181-S184 PolarHBondContact O-N 3.37Å; Y182-S184 PolarHBondContact O-N 3.43Å; S184-I186 VanDerWaalsContact C-N 3.32Å; S184-I186 PolarHBondContact O-N 2.95Å; S184-K187 PolarHBondContact O-N 3.02Å; S184-K187 VanDerWaalsContact O-N 3.14Å; S184-D188 VanDerWaalsContact O-CG 3.28Å; S184-D188 PolarHBondContact O-N 3.38Å |
| 185 | A | 97.7 | Very high | 95.1 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V181 Y182 D188 A189 | V181-A185 WeakPolarHBondContact O-CB 3.42Å; V181-A185 PolarHBondContact O-N 2.99Å; Y182-A185 PolarHBondContact O-N 2.75Å; A185-D188 PolarHBondContact O-N 3.07Å; A185-A189 VanDerWaalsContact O-CB 3.23Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.22Å |
| 186 | I | 97.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 180 | -165.3 | 56.8 | 0 | 0 | 0 | 112.3 | Y182 H183 S184 T190 F260 A264 F337 | Y182-I186 HydrophobicContact CE2-CB 4.35Å; Y182-I186 WeakPolarHBondContact O-CG2 3.47Å; Y182-I186 PolarHBondContact O-N 3.19Å; H183-I186 WeakPolarHBondContact O-CG2 3.35Å; S184-I186 VanDerWaalsContact C-N 3.32Å; S184-I186 PolarHBondContact O-N 2.95Å; I186-T190 WeakPolarHBondContact O-CB 3.27Å; I186-T190 PolarHBondContact O-N 3.05Å; I186-T190 PolarHBondContact O-OG1 3.21Å; I186-F260 HydrophobicContact CD1-CB 4.01Å; I186-F260 HydrophobicContact CD1-CD1 3.64Å; I186-F260 HydrophobicContact CD1-CE1 4.33Å; I186-F260 HydrophobicContact CD1-CG 3.94Å; I186-A264 HydrophobicContact CG1-CB 4.44Å; I186-A264 HydrophobicContact CG2-CB 4.18Å; I186-F337 HydrophobicContact CD1-CE1 4.17Å; I186-F337 HydrophobicContact CD1-CZ 3.67Å |
| 187 | K | 95.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 173 | -81.7 | -176.2 | 166.5 | -172.1 | 0 | 111.4 | H183 S184 A189 T190 V191 A264 | H183-K187 VanDerWaalsContact NE2-CE 3.25Å; H183-K187 WeakPolarHBondContact NE2-CE 3.45Å; H183-K187 PolarHBondContact NE2-NZ 3.06Å; H183-K187 WeakPolarHBondContact O-CB 3.47Å; H183-K187 WeakPolarHBondContact O-CG 3.41Å; H183-K187 PolarHBondContact O-N 2.86Å; S184-K187 PolarHBondContact O-N 3.02Å; S184-K187 VanDerWaalsContact O-N 3.14Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.35Å; K187-T190 WeakPolarHBondContact O-CB 3.38Å; K187-T190 PolarHBondContact O-N 2.95Å; K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.17Å; K187-A264 HydrophobicContact CG-CB 4.3Å |
| 188 | D | 97.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.8 | -62.8 | -26.3 | 0 | 0 | 0 | 110.9 | S184 A185 T190 V191 A192 | S184-D188 VanDerWaalsContact O-CG 3.28Å; S184-D188 PolarHBondContact O-N 3.38Å; A185-D188 PolarHBondContact O-N 3.07Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.19Å; D188-V191 PolarHBondContact O-N 3.23Å; D188-A192 PolarHBondContact O-N 3.49Å |
| 189 | A | 97.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A185 K187 A192 A193 F260 | A185-A189 VanDerWaalsContact O-CB 3.23Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.22Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.35Å; A189-A192 PolarHBondContact O-N 3.45Å; A189-A193 WeakPolarHBondContact O-CB 3.49Å; A189-A193 PolarHBondContact O-N 3.25Å; A189-F260 HydrophobicContact CB-CD2 3.85Å; A189-F260 HydrophobicContact CB-CE2 3.7Å; A189-F260 HydrophobicContact CB-CG 4.45Å; A189-F260 HydrophobicContact CB-CZ 4.2Å; A189-F260 WeakPolarHBondContact O-CD2 3.42Å |
| 190 | T | 96.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 175 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | I186 K187 D188 A192 A193 D194 F260 R261 | I186-T190 WeakPolarHBondContact O-CB 3.27Å; I186-T190 PolarHBondContact O-N 3.05Å; I186-T190 PolarHBondContact O-OG1 3.21Å; K187-T190 WeakPolarHBondContact O-CB 3.38Å; K187-T190 PolarHBondContact O-N 2.95Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.19Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.2Å; T190-A193 PolarHBondContact O-N 3.19Å; T190-D194 WeakPolarHBondContact O-CB 3.4Å; T190-D194 VanDerWaalsContact O-CG 3.3Å; T190-D194 PolarHBondContact O-N 3.23Å; T190-F260 HydrophobicContact CG2-CB 4.43Å; T190-F260 WeakPolarHBondContact OG1-CB 3.21Å; T190-F260 PolarHBondContact OG1-O 3.29Å; T190-R261 HydrophobicContact CG2-CB 4.37Å; T190-R261 HydrophobicContact CG2-CG 3.47Å; T190-R261 VanDerWaalsContact CG2-CG 3.47Å |
| 191 | V | 96.3 | Very high | 93.8 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 61% | 0.606 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | K187 D188 D194 L195 | K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.17Å; D188-V191 PolarHBondContact O-N 3.23Å; V191-D194 PolarHBondContact O-N 2.97Å; V191-L195 WeakPolarHBondContact O-CB 3.35Å; V191-L195 PolarHBondContact O-N 3.34Å |
| 192 | A | 97.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | D188 A189 T190 L195 A196 | D188-A192 PolarHBondContact O-N 3.49Å; A189-A192 PolarHBondContact O-N 3.45Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.2Å; A192-L195 PolarHBondContact O-N 3.44Å; A192-A196 WeakPolarHBondContact O-CB 3.21Å; A192-A196 PolarHBondContact O-N 3.39Å |
| 193 | A | 95.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | A189 T190 L195 A196 S197 L256 S257 F260 | A189-A193 WeakPolarHBondContact O-CB 3.49Å; A189-A193 PolarHBondContact O-N 3.25Å; T190-A193 PolarHBondContact O-N 3.19Å; A193-L195 VanDerWaalsContact C-N 3.33Å; A193-L195 PolarHBondContact O-N 2.91Å; A193-A196 PolarHBondContact O-N 3.4Å; A193-S197 PolarHBondContact O-N 2.79Å; A193-L256 HydrophobicContact CB-CD2 4.31Å; A193-L256 HydrophobicContact CB-CG 4.41Å; A193-S257 WeakPolarHBondContact CB-OG 3.42Å; A193-F260 HydrophobicContact CB-CD2 3.74Å; A193-F260 HydrophobicContact CB-CE2 4.03Å |
| 194 | D | 91.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.1 | -73.6 | -13.3 | 0 | 0 | 0 | 111.6 | T190 V191 S197 K198 R261 | T190-D194 WeakPolarHBondContact O-CB 3.4Å; T190-D194 VanDerWaalsContact O-CG 3.3Å; T190-D194 PolarHBondContact O-N 3.23Å; V191-D194 PolarHBondContact O-N 2.97Å; D194-S197 PolarHBondContact O-N 3.16Å; D194-K198 WeakPolarHBondContact O-CB 3.48Å; D194-K198 PolarHBondContact O-N 2.78Å; D194-R261 IonicContact OD1-CZ 2.68Å; D194-R261 IonicContact OD1-NH1 3.21Å; D194-R261 PolarHBondContact OD1-NH1 3.28Å; D194-R261 IonicContact OD2-NH1 2.64Å |
| 195 | L | 93.2 | Very high | 92.6 | Very high | 117 Ų | 117 | 64.1 Ų | 64.1 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 176.2 | -176.7 | 62.4 | 0 | 0 | 0 | 111.8 | V191 A192 A193 K198 C199 | V191-L195 WeakPolarHBondContact O-CB 3.35Å; V191-L195 PolarHBondContact O-N 3.34Å; A192-L195 PolarHBondContact O-N 3.44Å; A193-L195 VanDerWaalsContact C-N 3.33Å; A193-L195 PolarHBondContact O-N 2.91Å; L195-K198 PolarHBondContact O-N 2.94Å; L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.87Å |
| 196 | A | 92.2 | Very high | 92.4 | Very high | 37 Ų | 37 | 65 Ų | 65 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A192 A193 K198 C199 R200 | A192-A196 WeakPolarHBondContact O-CB 3.21Å; A192-A196 PolarHBondContact O-N 3.39Å; A193-A196 PolarHBondContact O-N 3.4Å; A196-K198 PolarHBondContact O-N 3.46Å; A196-C199 WeakPolarHBondContact O-CB 3.31Å; A196-C199 PolarHBondContact O-N 2.66Å; A196-R200 PolarHBondContact O-N 3.4Å |
| 197 | S | 86.5 | Confident | 92.3 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.028 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111.5 | A193 D194 C199 R200 K201 S249 | A193-S197 PolarHBondContact O-N 2.79Å; D194-S197 PolarHBondContact O-N 3.16Å; S197-C199 PolarHBondContact O-N 3.24Å; S197-R200 PolarHBondContact O-N 3.25Å; S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 3.32Å; S197-S249 PolarHBondContact O-OG 3.2Å |
| 198 | K | 86.8 | Confident | 92 | Very high | 140 Ų | 140 | 62.6 Ų | 62.6 | 61% | 0.609 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 175.6 | -175.2 | 178.2 | 179.2 | 179.9 | 0 | 112.6 | D194 L195 A196 K201 T202 | D194-K198 WeakPolarHBondContact O-CB 3.48Å; D194-K198 PolarHBondContact O-N 2.78Å; L195-K198 PolarHBondContact O-N 2.94Å; A196-K198 PolarHBondContact O-N 3.46Å; K198-K201 PolarHBondContact O-N 3.29Å; K198-T202 PolarHBondContact O-N 3.43Å; K198-T202 PolarHBondContact O-OG1 3.48Å |
| 199 | C | 91.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 54% | 0.541 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | L195 A196 S197 K201 T202 N203 | L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.87Å; A196-C199 WeakPolarHBondContact O-CB 3.31Å; A196-C199 PolarHBondContact O-N 2.66Å; S197-C199 PolarHBondContact O-N 3.24Å; C199-K201 PolarHBondContact O-N 2.94Å; C199-T202 WeakPolarHBondContact O-CB 3.26Å; C199-T202 PolarHBondContact O-N 3.43Å; C199-N203 PolarHBondContact O-N 2.86Å |
| 200 | R | 89.3 | Confident | 91.4 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.1 | -69.1 | -176.3 | -172.3 | 106.7 | -4.9 | 112.9 | A196 S197 T202 N203 A204 L245 E252 | A196-R200 PolarHBondContact O-N 3.4Å; S197-R200 PolarHBondContact O-N 3.25Å; R200-T202 VanDerWaalsContact C-N 3.32Å; R200-T202 PolarHBondContact O-N 3.44Å; R200-N203 PolarHBondContact O-N 3.22Å; R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 3.38Å; R200-L245 HydrophobicContact CB-CD1 4.36Å; R200-L245 HydrophobicContact CG-CD1 4.34Å; R200-E252 WeakPolarHBondContact CD-OE2 3.29Å; R200-E252 IonicContact CZ-OE1 2.93Å; R200-E252 IonicContact CZ-OE2 3.89Å; R200-E252 IonicContact NE-OE1 2.78Å; R200-E252 PolarHBondContact NE-OE1 3.26Å; R200-E252 IonicContact NE-OE2 3.25Å; R200-E252 PolarHBondContact NE-OE2 3.09Å; R200-E252 IonicContact NH1-OE1 2.75Å; R200-E252 PolarHBondContact NH1-OE1 3.02Å; R200-E252 VanDerWaalsContact NH1-OE1 3.17Å; R200-E252 IonicContact NH1-OE2 3.99Å; R200-E252 PolarHBondContact NH1-OE2 2.97Å; R200-E252 IonicContact NH2-OE1 2.71Å; R200-E252 PolarHBondContact NH2-OE1 3.42Å; R200-E252 IonicContact NH2-OE2 2.77Å |
| 201 | K | 83.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 65.3 Ų | 65.3 | 45% | 0.452 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 172.8 | -70.9 | 173.3 | -176 | 173.7 | 0 | 111.8 | S197 K198 C199 A204 N205 | S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 3.32Å; K198-K201 PolarHBondContact O-N 3.29Å; C199-K201 PolarHBondContact O-N 2.94Å; K201-A204 PolarHBondContact O-N 3.3Å; K201-N205 PolarHBondContact O-N 2.9Å; K201-N205 PolarHBondContact O-ND2 2.96Å |
| 202 | T | 89.4 | Confident | 90.8 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111 | K198 C199 R200 A204 N205 T206 | K198-T202 PolarHBondContact O-N 3.43Å; K198-T202 PolarHBondContact O-OG1 3.48Å; C199-T202 WeakPolarHBondContact O-CB 3.26Å; C199-T202 PolarHBondContact O-N 3.43Å; R200-T202 VanDerWaalsContact C-N 3.32Å; R200-T202 PolarHBondContact O-N 3.44Å; T202-A204 PolarHBondContact O-N 3.47Å; T202-N205 WeakPolarHBondContact O-CB 3.5Å; T202-N205 PolarHBondContact O-N 3.4Å; T202-N205 VanDerWaalsContact O-N 3.16Å; T202-T206 PolarHBondContact O-N 3.38Å; T202-T206 PolarHBondContact O-OG1 2.99Å |
| 203 | N | 92.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176.1 | -172.9 | 21.3 | 0 | 0 | 0 | 111.9 | C199 R200 N205 T206 L207 L245 | C199-N203 PolarHBondContact O-N 2.86Å; R200-N203 PolarHBondContact O-N 3.22Å; N203-N205 VanDerWaalsContact C-N 3.29Å; N203-N205 PolarHBondContact O-N 2.99Å; N203-T206 PolarHBondContact O-N 3.37Å; N203-L207 WeakPolarHBondContact O-CG 3.49Å; N203-L207 PolarHBondContact O-N 3.34Å; N203-L245 HydrophobicContact CB-CD2 3.93Å; N203-L245 WeakPolarHBondContact ND2-CD2 3.18Å |
| 204 | A | 89.5 | Confident | 90.4 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R200 K201 T202 L207 L208 R242 L245 V246 | R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 3.38Å; K201-A204 PolarHBondContact O-N 3.3Å; T202-A204 PolarHBondContact O-N 3.47Å; A204-L207 PolarHBondContact O-N 3.44Å; A204-L208 PolarHBondContact O-N 2.95Å; A204-R242 HydrophobicContact CB-CG 4.2Å; A204-R242 WeakPolarHBondContact O-CD 3.29Å; A204-R242 WeakPolarHBondContact O-CG 3.1Å; A204-L245 HydrophobicContact CB-CD2 4.11Å; A204-L245 HydrophobicContact CB-CG 4.45Å; A204-V246 HydrophobicContact CB-CG2 3.7Å |
| 205 | N | 86.2 | Confident | 90.3 | Very high | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 174.6 | -71.2 | -21.5 | 0 | 0 | 0 | 112.1 | K201 T202 N203 L207 L208 Q209 | K201-N205 PolarHBondContact O-N 2.9Å; K201-N205 PolarHBondContact O-ND2 2.96Å; T202-N205 WeakPolarHBondContact O-CB 3.5Å; T202-N205 PolarHBondContact O-N 3.4Å; T202-N205 VanDerWaalsContact O-N 3.16Å; N203-N205 VanDerWaalsContact C-N 3.29Å; N203-N205 PolarHBondContact O-N 2.99Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 2.91Å; N205-L208 WeakPolarHBondContact O-CB 3.13Å; N205-L208 PolarHBondContact O-N 3.03Å; N205-Q209 WeakPolarHBondContact O-CG 3.49Å; N205-Q209 PolarHBondContact O-N 3.11Å; N205-Q209 VanDerWaalsContact O-N 3.11Å |
| 206 | T | 93.5 | Very high | 90.1 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | T202 N203 L208 Q209 I210 | T202-T206 PolarHBondContact O-N 3.38Å; T202-T206 PolarHBondContact O-OG1 2.99Å; N203-T206 PolarHBondContact O-N 3.37Å; T206-L208 VanDerWaalsContact C-N 3.29Å; T206-L208 PolarHBondContact O-N 3.16Å; T206-Q209 PolarHBondContact O-N 2.68Å; T206-Q209 VanDerWaalsContact O-N 3.15Å; T206-I210 HydrophobicContact CG2-CD1 4.32Å; T206-I210 WeakPolarHBondContact O-CG1 3.39Å; T206-I210 PolarHBondContact O-N 2.95Å; T206-I210 VanDerWaalsContact O-N 3.09Å |
| 207 | L | 93.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 175.6 | -69 | 171.5 | 0 | 0 | 0 | 112.4 | N203 A204 N205 Q209 I210 E211 F238 F241 R242 L245 | N203-L207 WeakPolarHBondContact O-CG 3.49Å; N203-L207 PolarHBondContact O-N 3.34Å; A204-L207 PolarHBondContact O-N 3.44Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 2.91Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-I210 PolarHBondContact O-N 2.67Å; L207-E211 WeakPolarHBondContact O-CB 3.26Å; L207-E211 PolarHBondContact O-N 2.79Å; L207-F238 HydrophobicContact CD2-CD1 3.72Å; L207-F238 HydrophobicContact CD2-CE1 4.18Å; L207-F241 HydrophobicContact CD1-CD1 3.68Å; L207-F241 HydrophobicContact CD1-CE1 4.13Å; L207-R242 HydrophobicContact CB-CB 4.09Å; L207-R242 HydrophobicContact CB-CG 4.29Å; L207-R242 HydrophobicContact CD1-CB 4.35Å; L207-L245 HydrophobicContact CD1-CD2 3.9Å |
| 208 | L | 89.7 | Confident | 89.9 | Confident | 47 Ų | 47 | 72 Ų | 72 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 173.6 | 179.7 | 61.5 | 0 | 0 | 0 | 111.5 | A204 N205 T206 I210 E211 L212 | A204-L208 PolarHBondContact O-N 2.95Å; N205-L208 WeakPolarHBondContact O-CB 3.13Å; N205-L208 PolarHBondContact O-N 3.03Å; T206-L208 VanDerWaalsContact C-N 3.29Å; T206-L208 PolarHBondContact O-N 3.16Å; L208-I210 VanDerWaalsContact C-N 3.32Å; L208-I210 PolarHBondContact O-N 3.38Å; L208-E211 WeakPolarHBondContact O-CB 3.45Å; L208-E211 PolarHBondContact O-N 3.06Å; L208-L212 HydrophobicContact CD1-CD1 4.26Å; L208-L212 HydrophobicContact CD1-CG 4.22Å; L208-L212 HydrophobicContact CG-CD1 4.11Å; L208-L212 HydrophobicContact CG-CG 4.48Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.78Å |
| 209 | Q | 90.8 | Very high | 89.7 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 177.8 | -61.7 | -55.4 | -44.1 | 0 | 0 | 111.6 | N205 T206 L207 A213 | N205-Q209 WeakPolarHBondContact O-CG 3.49Å; N205-Q209 PolarHBondContact O-N 3.11Å; N205-Q209 VanDerWaalsContact O-N 3.11Å; T206-Q209 PolarHBondContact O-N 2.68Å; T206-Q209 VanDerWaalsContact O-N 3.15Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-A213 WeakPolarHBondContact O-CB 3.31Å; Q209-A213 PolarHBondContact O-N 3.01Å |
| 210 | I | 93.4 | Very high | 88.9 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 34% | 0.344 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 175 | -65.5 | 168 | 0 | 0 | 0 | 110.8 | T206 L207 L208 L212 A213 L214 F238 | T206-I210 HydrophobicContact CG2-CD1 4.32Å; T206-I210 WeakPolarHBondContact O-CG1 3.39Å; T206-I210 PolarHBondContact O-N 2.95Å; T206-I210 VanDerWaalsContact O-N 3.09Å; L207-I210 PolarHBondContact O-N 2.67Å; L208-I210 VanDerWaalsContact C-N 3.32Å; L208-I210 PolarHBondContact O-N 3.38Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.86Å; I210-A213 PolarHBondContact O-N 3.06Å; I210-L214 HydrophobicContact CG2-CD1 3.85Å; I210-L214 HydrophobicContact CG2-CG 4.37Å; I210-L214 WeakPolarHBondContact O-CB 3.42Å; I210-L214 WeakPolarHBondContact O-CG 3.31Å; I210-L214 PolarHBondContact O-N 2.76Å; I210-F238 HydrophobicContact CG2-CD2 3.77Å; I210-F238 HydrophobicContact CG2-CE2 3.85Å; I210-F238 HydrophobicContact CG2-CG 4.24Å; I210-F238 HydrophobicContact CG2-CZ 4.39Å |
| 211 | E | 90.8 | Very high | 88 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -53.6 | -49 | 175.7 | 177.1 | -162.6 | 151.9 | 0 | 0 | 111.3 | L207 L208 L214 S215 S235 E239 R242 | L207-E211 WeakPolarHBondContact O-CB 3.26Å; L207-E211 PolarHBondContact O-N 2.79Å; L208-E211 WeakPolarHBondContact O-CB 3.45Å; L208-E211 PolarHBondContact O-N 3.06Å; E211-L214 PolarHBondContact O-N 2.68Å; E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.69Å; E211-S215 PolarHBondContact O-OG 3.39Å; E211-S235 PolarHBondContact O-OG 3.22Å; E211-E239 HydrophobicContact CG-CB 3.99Å; E211-E239 WeakPolarHBondContact OE1-CG 3.46Å; E211-R242 IonicContact OE2-CZ 2.65Å; E211-R242 IonicContact OE2-NE 3.04Å; E211-R242 PolarHBondContact OE2-NE 2.77Å; E211-R242 IonicContact OE2-NH2 3.72Å |
| 212 | L | 89.2 | Confident | 86.9 | Confident | 79 Ų | 79 | 79.3 Ų | 79.3 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 179.3 | -69.4 | 173.1 | 0 | 0 | 0 | 112 | L208 I210 L214 S215 N216 | L208-L212 HydrophobicContact CD1-CD1 4.26Å; L208-L212 HydrophobicContact CD1-CG 4.22Å; L208-L212 HydrophobicContact CG-CD1 4.11Å; L208-L212 HydrophobicContact CG-CG 4.48Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.78Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.86Å; L212-L214 PolarHBondContact O-N 3.4Å; L212-S215 PolarHBondContact O-N 2.96Å; L212-N216 VanDerWaalsContact O-CG 3.26Å; L212-N216 PolarHBondContact O-N 3.32Å; L212-N216 PolarHBondContact O-ND2 2.84Å |
| 213 | A | 92.5 | Very high | 85.9 | Confident | 58 Ų | 58 | 82.7 Ų | 82.7 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q209 I210 N216 | Q209-A213 WeakPolarHBondContact O-CB 3.31Å; Q209-A213 PolarHBondContact O-N 3.01Å; I210-A213 PolarHBondContact O-N 3.06Å; A213-N216 PolarHBondContact O-N 2.66Å |
| 214 | L | 92.6 | Very high | 85 | Confident | 31 Ų | 31 | 85.6 Ų | 85.6 | 16% | 0.162 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 176.8 | -71 | 170 | 0 | 0 | 0 | 111.9 | I210 E211 L212 N216 L217 T231 L234 F238 | I210-L214 HydrophobicContact CG2-CD1 3.85Å; I210-L214 HydrophobicContact CG2-CG 4.37Å; I210-L214 WeakPolarHBondContact O-CB 3.42Å; I210-L214 WeakPolarHBondContact O-CG 3.31Å; I210-L214 PolarHBondContact O-N 2.76Å; E211-L214 PolarHBondContact O-N 2.68Å; L212-L214 PolarHBondContact O-N 3.4Å; L214-N216 PolarHBondContact O-N 3.35Å; L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 3.33Å; L214-T231 HydrophobicContact CB-CG2 4.34Å; L214-T231 HydrophobicContact CD2-CG2 4.23Å; L214-T231 WeakPolarHBondContact O-CG2 3.43Å; L214-L234 HydrophobicContact CD1-CB 3.94Å; L214-F238 HydrophobicContact CD1-CD2 3.56Å; L214-F238 HydrophobicContact CD1-CE2 3.81Å |
| 215 | S | 88.5 | Confident | 84.9 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -34.6 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | E211 L212 L217 I218 S235 | E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.69Å; E211-S215 PolarHBondContact O-OG 3.39Å; L212-S215 PolarHBondContact O-N 2.96Å; S215-L217 PolarHBondContact O-N 3.41Å; S215-I218 PolarHBondContact O-N 3.37Å; S215-S235 PolarHBondContact OG-OG 3.18Å |
| 216 | N | 88.5 | Confident | 84.9 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 74% | 0.743 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | 176 | -71.3 | -25.2 | 0 | 0 | 0 | 113.8 | L212 A213 L214 | L212-N216 VanDerWaalsContact O-CG 3.26Å; L212-N216 PolarHBondContact O-N 3.32Å; L212-N216 PolarHBondContact O-ND2 2.84Å; A213-N216 PolarHBondContact O-N 2.66Å; L214-N216 PolarHBondContact O-N 3.35Å |
| 217 | L | 88.7 | Confident | 84.7 | Confident | 122 Ų | 122 | 86.4 Ų | 86.4 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.6 | 174.9 | -63.7 | 174.7 | 0 | 0 | 0 | 112.7 | L214 S215 P219 T231 | L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 3.33Å; S215-L217 PolarHBondContact O-N 3.41Å; L217-P219 VanDerWaalsContact O-CD 3.31Å; L217-P219 WeakPolarHBondContact O-CD 3.31Å; L217-T231 HydrophobicContact CB-CG2 4.03Å |
| 218 | I | 86.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 86.8 Ų | 86.8 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -76.5 | 116.9 | -179.9 | -58.3 | 171.2 | 0 | 0 | 0 | 108.5 | S215 K220 T228 T231 T232 | S215-I218 PolarHBondContact O-N 3.37Å; I218-K220 PolarHBondContact O-N 3.46Å; I218-T228 HydrophobicContact CG2-CG2 4.19Å; I218-T231 HydrophobicContact CG1-CG2 3.88Å; I218-T232 HydrophobicContact CD1-CG2 4.48Å |
| 219 | P | 82.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | trans | -61.5 | 136.8 | 179 | -20.6 | 32.7 | 0 | 0 | 0 | 111.4 | L217 C222 | L217-P219 VanDerWaalsContact O-CD 3.31Å; L217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-C222 HydrophobicContact CB-CB 3.89Å | ||
| 220 | K | 76.3 | Confident | 84.5 | Confident | 207 Ų | 207 | 84.1 Ų | 84.1 | 90% | 0.9 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -74.8 | -27.9 | 179.5 | -66.2 | -175.8 | 179.2 | -179.7 | 0 | 113.7 | I218 | I218-K220 PolarHBondContact O-N 3.46Š|
| 221 | E | 70.9 | Confident | 84.5 | Confident | 188 Ų | 188 | 82.2 Ų | 82.2 | 88% | 0.879 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -140.4 | 22.2 | -164.6 | -67.1 | 174.7 | 177.2 | 0 | 0 | 114.2 | ||
| 222 | C | 60 | Low | 84.6 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 66% | 0.655 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -114.9 | 158.4 | -177.7 | -71.8 | 0 | 0 | 0 | 0 | 114 | P219 I224 | P219-C222 HydrophobicContact CB-CB 3.89Å; C222-I224 PolarHBondContact O-N 3.39Å |
| 223 | N | 68.4 | Low | 84.8 | Confident | 149 Ų | 149 | 80 Ų | 80 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | trans | -51.6 | 134.2 | 172.8 | -73.1 | -22.3 | 0 | 0 | 0 | 110.6 | T225 | N223-T225 PolarHBondContact O-N 2.88Š| ||
| 224 | I | 73.9 | Confident | 84.9 | Confident | 134 Ų | 134 | 80.4 Ų | 80.4 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | trans | -59.9 | 111.2 | 176.8 | -61.3 | 170.8 | 0 | 0 | 0 | 108.5 | C222 D229 | C222-I224 PolarHBondContact O-N 3.39Å; I224-D229 WeakPolarHBondContact CG2-OD1 3.4Å; I224-D229 WeakPolarHBondContact CG2-OD2 3.36Å | ||
| 225 | T | 86.4 | Confident | 85 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | trans | -97.6 | 162.1 | 169.1 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | N223 E227 T228 D229 | N223-T225 PolarHBondContact O-N 2.88Å; T225-E227 WeakPolarHBondContact CB-OE2 3.49Å; T225-E227 PolarHBondContact O-N 2.77Å; T225-E227 PolarHBondContact OG1-OE2 3.18Å; T225-T228 WeakPolarHBondContact O-CB 3.25Å; T225-T228 PolarHBondContact O-N 3.18Å; T225-T228 PolarHBondContact OG1-N 3.42Å; T225-T228 VanDerWaalsContact OG1-N 3.16Å; T225-T228 PolarHBondContact OG1-OG1 3.12Å; T225-D229 PolarHBondContact O-N 3.38Å | ||
| 226 | S | 87.4 | Confident | 85.3 | Confident | 21 Ų | 21 | 80 Ų | 80 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.4 | -35.3 | 174.9 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | D229 L230 I369 N370 P372 | S226-D229 PolarHBondContact O-N 2.86Å; S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 PolarHBondContact O-N 3.29Å; S226-I369 WeakPolarHBondContact O-CG2 3.28Å; S226-N370 WeakPolarHBondContact CB-O 3.35Å; S226-P372 WeakPolarHBondContact OG-CD 3.39Å |
| 227 | E | 88.5 | Confident | 85.6 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 177.3 | -60.4 | 90 | 155.3 | 0 | 0 | 111.5 | T225 L230 T231 | T225-E227 WeakPolarHBondContact CB-OE2 3.49Å; T225-E227 PolarHBondContact O-N 2.77Å; T225-E227 PolarHBondContact OG1-OE2 3.18Å; E227-L230 PolarHBondContact O-N 3.33Å; E227-T231 WeakPolarHBondContact O-CB 3.11Å; E227-T231 PolarHBondContact O-N 2.83Å; E227-T231 PolarHBondContact O-OG1 3.16Å |
| 228 | T | 89 | Confident | 86 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 13% | 0.129 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 175 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | I218 T225 T231 T232 | I218-T228 HydrophobicContact CG2-CG2 4.19Å; T225-T228 WeakPolarHBondContact O-CB 3.25Å; T225-T228 PolarHBondContact O-N 3.18Å; T225-T228 PolarHBondContact OG1-N 3.42Å; T225-T228 VanDerWaalsContact OG1-N 3.16Å; T225-T228 PolarHBondContact OG1-OG1 3.12Å; T228-T231 PolarHBondContact O-N 3.2Å; T228-T232 VanDerWaalsContact O-CB 3.3Å; T228-T232 WeakPolarHBondContact O-CB 3.36Å; T228-T232 PolarHBondContact O-N 3.46Å; T228-T232 PolarHBondContact O-OG1 2.73Å |
| 229 | D | 89.7 | Confident | 86.3 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175 | -81 | -23.4 | 0 | 0 | 0 | 111.9 | I224 T225 S226 T232 L233 I369 | I224-D229 WeakPolarHBondContact CG2-OD1 3.4Å; I224-D229 WeakPolarHBondContact CG2-OD2 3.36Å; T225-D229 PolarHBondContact O-N 3.38Å; S226-D229 PolarHBondContact O-N 2.86Å; D229-T232 PolarHBondContact O-N 3.49Å; D229-L233 WeakPolarHBondContact O-CB 2.94Å; D229-L233 PolarHBondContact O-N 2.93Å; D229-I369 HydrophobicContact CB-CD1 4.11Å; D229-I369 HydrophobicContact CB-CG1 4.24Å; D229-I369 HydrophobicContact CB-CG2 4.32Å |
| 230 | L | 92.3 | Very high | 87 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 177.5 | 178.8 | 62.4 | 0 | 0 | 0 | 111.3 | S226 E227 T232 L233 L234 L366 I369 I371 | S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 PolarHBondContact O-N 3.29Å; E227-L230 PolarHBondContact O-N 3.33Å; L230-T232 VanDerWaalsContact C-N 3.3Å; L230-T232 PolarHBondContact O-N 2.91Å; L230-L233 PolarHBondContact O-N 3.32Å; L230-L234 HydrophobicContact CD1-CD1 4.29Å; L230-L234 HydrophobicContact CD1-CG 4.3Å; L230-L234 HydrophobicContact CG-CD1 4.21Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.63Å; L230-L366 HydrophobicContact CD1-CD1 3.41Å; L230-L366 VanDerWaalsContact CD1-CD1 3.41Å; L230-I369 HydrophobicContact CB-CD1 4.28Å; L230-I369 HydrophobicContact CD1-CD1 4.42Å; L230-I371 HydrophobicContact CD2-CD1 4.02Å |
| 231 | T | 92.6 | Very high | 87.9 | Confident | 27 Ų | 27 | 63 Ų | 63 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | L214 L217 I218 E227 T228 L234 S235 | L214-T231 HydrophobicContact CB-CG2 4.34Å; L214-T231 HydrophobicContact CD2-CG2 4.23Å; L214-T231 WeakPolarHBondContact O-CG2 3.43Å; L217-T231 HydrophobicContact CB-CG2 4.03Å; I218-T231 HydrophobicContact CG1-CG2 3.88Å; E227-T231 WeakPolarHBondContact O-CB 3.11Å; E227-T231 PolarHBondContact O-N 2.83Å; E227-T231 PolarHBondContact O-OG1 3.16Å; T228-T231 PolarHBondContact O-N 3.2Å; T231-L234 PolarHBondContact O-N 2.63Å; T231-S235 WeakPolarHBondContact O-CB 3.38Å; T231-S235 PolarHBondContact O-N 2.78Å |
| 232 | T | 92.2 | Very high | 89 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 23% | 0.233 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | I218 T228 D229 L230 N236 | I218-T232 HydrophobicContact CD1-CG2 4.48Å; T228-T232 VanDerWaalsContact O-CB 3.3Å; T228-T232 WeakPolarHBondContact O-CB 3.36Å; T228-T232 PolarHBondContact O-N 3.46Å; T228-T232 PolarHBondContact O-OG1 2.73Å; D229-T232 PolarHBondContact O-N 3.49Å; L230-T232 VanDerWaalsContact C-N 3.3Å; L230-T232 PolarHBondContact O-N 2.91Å; T232-N236 WeakPolarHBondContact CG2-ND2 3.41Å; T232-N236 WeakPolarHBondContact O-CB 3.5Å; T232-N236 VanDerWaalsContact O-CG 3.29Å; T232-N236 PolarHBondContact O-N 2.65Å; T232-N236 VanDerWaalsContact O-N 3.09Å; T232-N236 PolarHBondContact O-ND2 2.96Å |
| 233 | L | 94.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 176.5 | 176.3 | 62.3 | 0 | 0 | 0 | 111.4 | D229 L230 N236 F237 R365 L366 I369 | D229-L233 WeakPolarHBondContact O-CB 2.94Å; D229-L233 PolarHBondContact O-N 2.93Å; L230-L233 PolarHBondContact O-N 3.32Å; L233-N236 PolarHBondContact O-N 2.81Å; L233-F237 WeakPolarHBondContact O-CB 3.48Å; L233-F237 PolarHBondContact O-N 3.44Å; L233-R365 HydrophobicContact CD1-CB 3.77Å; L233-R365 HydrophobicContact CD2-CB 4.07Å; L233-L366 HydrophobicContact CD2-CB 3.82Å; L233-L366 HydrophobicContact CD2-CD1 4.12Å; L233-I369 HydrophobicContact CB-CD1 4.25Å; L233-I369 HydrophobicContact CD2-CD1 3.78Å |
| 234 | L | 94.8 | Very high | 91.7 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 34% | 0.34 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 179.4 | -70.2 | 175.8 | 0 | 0 | 0 | 111.7 | L214 L230 T231 N236 F237 F238 | L214-L234 HydrophobicContact CD1-CB 3.94Å; L230-L234 HydrophobicContact CD1-CD1 4.29Å; L230-L234 HydrophobicContact CD1-CG 4.3Å; L230-L234 HydrophobicContact CG-CD1 4.21Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.63Å; T231-L234 PolarHBondContact O-N 2.63Å; L234-N236 PolarHBondContact O-N 3.36Å; L234-F237 WeakPolarHBondContact O-CB 3.44Å; L234-F237 PolarHBondContact O-N 3.43Å; L234-F238 HydrophobicContact CB-CD2 4.49Å; L234-F238 HydrophobicContact CB-CE2 4.32Å; L234-F238 WeakPolarHBondContact O-CD2 3.37Å; L234-F238 PolarHBondContact O-N 2.83Å |
| 235 | S | 94.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -50.8 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | E211 S215 T231 F237 F238 E239 | E211-S235 PolarHBondContact O-OG 3.22Å; S215-S235 PolarHBondContact OG-OG 3.18Å; T231-S235 WeakPolarHBondContact O-CB 3.38Å; T231-S235 PolarHBondContact O-N 2.78Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.11Å; S235-F238 PolarHBondContact O-N 2.97Å; S235-E239 PolarHBondContact O-N 2.92Å |
| 236 | N | 94 | Very high | 92.7 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 177.9 | -73.7 | -48.3 | 0 | 0 | 0 | 113.1 | T232 L233 L234 S240 | T232-N236 WeakPolarHBondContact CG2-ND2 3.41Å; T232-N236 WeakPolarHBondContact O-CB 3.5Å; T232-N236 VanDerWaalsContact O-CG 3.29Å; T232-N236 PolarHBondContact O-N 2.65Å; T232-N236 VanDerWaalsContact O-N 3.09Å; T232-N236 PolarHBondContact O-ND2 2.96Å; L233-N236 PolarHBondContact O-N 2.81Å; L234-N236 PolarHBondContact O-N 3.36Å; N236-S240 WeakPolarHBondContact O-CB 2.99Å; N236-S240 PolarHBondContact O-N 3.45Å; N236-S240 PolarHBondContact O-OG 3.45Å |
| 237 | F | 96.3 | Very high | 92.9 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 175.3 | 170.5 | -99.6 | 0 | 0 | 0 | 110.7 | L233 L234 S235 S240 F241 L358 I359 S362 | L233-F237 WeakPolarHBondContact O-CB 3.48Å; L233-F237 PolarHBondContact O-N 3.44Å; L234-F237 WeakPolarHBondContact O-CB 3.44Å; L234-F237 PolarHBondContact O-N 3.43Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.11Å; F237-S240 PolarHBondContact O-N 3.34Å; F237-F241 HydrophobicContact CZ-CB 4.45Å; F237-F241 HydrophobicContact CZ-CD2 4.28Å; F237-F241 HydrophobicContact CZ-CG 4.46Å; F237-F241 VanDerWaalsContact O-CB 3.29Å; F237-F241 WeakPolarHBondContact O-CB 3.1Å; F237-F241 PolarHBondContact O-N 3.44Å; F237-L358 HydrophobicContact CD2-CD1 4.24Å; F237-L358 HydrophobicContact CD2-CD2 4.17Å; F237-L358 HydrophobicContact CD2-CG 3.9Å; F237-L358 HydrophobicContact CE2-CD2 4.14Å; F237-L358 HydrophobicContact CE2-CG 3.96Å; F237-I359 HydrophobicContact CE2-CG1 3.97Å; F237-I359 HydrophobicContact CZ-CG1 4.27Å; F237-S362 WeakPolarHBondContact CD2-OG 3.07Å |
| 238 | F | 95.9 | Very high | 93 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 21% | 0.211 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | -179.1 | -71.3 | -57.4 | 0 | 0 | 0 | 112.6 | L207 I210 L214 L234 S235 S240 F241 R242 | L207-F238 HydrophobicContact CD2-CD1 3.72Å; L207-F238 HydrophobicContact CD2-CE1 4.18Å; I210-F238 HydrophobicContact CG2-CD2 3.77Å; I210-F238 HydrophobicContact CG2-CE2 3.85Å; I210-F238 HydrophobicContact CG2-CG 4.24Å; I210-F238 HydrophobicContact CG2-CZ 4.39Å; L214-F238 HydrophobicContact CD1-CD2 3.56Å; L214-F238 HydrophobicContact CD1-CE2 3.81Å; L234-F238 HydrophobicContact CB-CD2 4.49Å; L234-F238 HydrophobicContact CB-CE2 4.32Å; L234-F238 WeakPolarHBondContact O-CD2 3.37Å; L234-F238 PolarHBondContact O-N 2.83Å; S235-F238 PolarHBondContact O-N 2.97Å; F238-S240 PolarHBondContact O-N 3.43Å; F238-F241 PolarHBondContact O-N 2.87Å; F238-R242 WeakPolarHBondContact O-CB 3.46Å; F238-R242 PolarHBondContact O-N 3.23Å |
| 239 | E | 93.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 172.4 | -174.5 | -172.8 | 179.6 | 0 | 0 | 110.9 | E211 S235 R242 K243 | E211-E239 HydrophobicContact CG-CB 3.99Å; E211-E239 WeakPolarHBondContact OE1-CG 3.46Å; S235-E239 PolarHBondContact O-N 2.92Å; E239-R242 PolarHBondContact O-N 2.71Å; E239-K243 VanDerWaalsContact CD-NZ 3.32Å; E239-K243 WeakPolarHBondContact O-CG 3.38Å; E239-K243 PolarHBondContact O-N 3.41Å; E239-K243 VanDerWaalsContact OE1-CE 3.26Å; E239-K243 WeakPolarHBondContact OE1-CE 3.34Å; E239-K243 IonicContact OE1-NZ 3.26Å; E239-K243 PolarHBondContact OE1-NZ 2.87Å |
| 240 | S | 95.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -42.6 | -178.5 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | N236 F237 F238 K243 I244 | N236-S240 WeakPolarHBondContact O-CB 2.99Å; N236-S240 PolarHBondContact O-N 3.45Å; N236-S240 PolarHBondContact O-OG 3.45Å; F237-S240 PolarHBondContact O-N 3.34Å; F238-S240 PolarHBondContact O-N 3.43Å; S240-K243 PolarHBondContact O-N 3.21Å; S240-I244 WeakPolarHBondContact O-CG1 3.25Å; S240-I244 PolarHBondContact O-N 2.93Å; S240-I244 VanDerWaalsContact O-N 3.15Å |
| 241 | F | 95.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 42 Ų | 42 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 179.1 | -170.2 | -100.2 | 0 | 0 | 0 | 111 | L207 F237 F238 K243 I244 L245 Q355 L358 | L207-F241 HydrophobicContact CD1-CD1 3.68Å; L207-F241 HydrophobicContact CD1-CE1 4.13Å; F237-F241 HydrophobicContact CZ-CB 4.45Å; F237-F241 HydrophobicContact CZ-CD2 4.28Å; F237-F241 HydrophobicContact CZ-CG 4.46Å; F237-F241 VanDerWaalsContact O-CB 3.29Å; F237-F241 WeakPolarHBondContact O-CB 3.1Å; F237-F241 PolarHBondContact O-N 3.44Å; F238-F241 PolarHBondContact O-N 2.87Å; F241-K243 PolarHBondContact O-N 3.34Å; F241-I244 PolarHBondContact O-N 3.35Å; F241-I244 VanDerWaalsContact O-N 3.13Å; F241-L245 PolarHBondContact O-N 3.18Å; F241-Q355 HydrophobicContact CE2-CB 4.48Å; F241-Q355 HydrophobicContact CE2-CG 4.06Å; F241-L358 HydrophobicContact CB-CD2 3.86Å; F241-L358 HydrophobicContact CD2-CD2 4.26Å |
| 242 | R | 93.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 11% | 0.106 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 173.2 | -177.3 | -177.6 | 67.6 | 81.3 | -2.2 | 111.7 | A204 L207 E211 F238 E239 I244 L245 V246 | A204-R242 HydrophobicContact CB-CG 4.2Å; A204-R242 WeakPolarHBondContact O-CD 3.29Å; A204-R242 WeakPolarHBondContact O-CG 3.1Å; L207-R242 HydrophobicContact CB-CB 4.09Å; L207-R242 HydrophobicContact CB-CG 4.29Å; L207-R242 HydrophobicContact CD1-CB 4.35Å; E211-R242 IonicContact OE2-CZ 2.65Å; E211-R242 IonicContact OE2-NE 3.04Å; E211-R242 PolarHBondContact OE2-NE 2.77Å; E211-R242 IonicContact OE2-NH2 3.72Å; F238-R242 WeakPolarHBondContact O-CB 3.46Å; F238-R242 PolarHBondContact O-N 3.23Å; E239-R242 PolarHBondContact O-N 2.71Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 3.48Å; R242-L245 PolarHBondContact O-N 2.96Å; R242-L245 VanDerWaalsContact O-N 3.14Å; R242-V246 HydrophobicContact CG-CG2 4.43Å; R242-V246 WeakPolarHBondContact O-CG2 3.43Å; R242-V246 PolarHBondContact O-N 2.91Å |
| 243 | K | 92 | Very high | 93.1 | Very high | 90 Ų | 90 | 40.8 Ų | 40.8 | 39% | 0.391 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.4 | -72.3 | 170.3 | -175 | 166.7 | 0 | 112.3 | E239 S240 F241 R247 | E239-K243 VanDerWaalsContact CD-NZ 3.32Å; E239-K243 WeakPolarHBondContact O-CG 3.38Å; E239-K243 PolarHBondContact O-N 3.41Å; E239-K243 VanDerWaalsContact OE1-CE 3.26Å; E239-K243 WeakPolarHBondContact OE1-CE 3.34Å; E239-K243 IonicContact OE1-NZ 3.26Å; E239-K243 PolarHBondContact OE1-NZ 2.87Å; S240-K243 PolarHBondContact O-N 3.21Å; F241-K243 PolarHBondContact O-N 3.34Å; K243-R247 WeakPolarHBondContact O-CG 3.47Å; K243-R247 PolarHBondContact O-N 3.47Å; K243-R247 PolarHBondContact O-NE 3.23Å |
| 244 | I | 93.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 173.8 | -60.7 | 165.3 | 0 | 0 | 0 | 110.6 | S240 F241 R242 V246 R247 L248 H351 Q355 L358 | S240-I244 WeakPolarHBondContact O-CG1 3.25Å; S240-I244 PolarHBondContact O-N 2.93Å; S240-I244 VanDerWaalsContact O-N 3.15Å; F241-I244 PolarHBondContact O-N 3.35Å; F241-I244 VanDerWaalsContact O-N 3.13Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 3.48Å; I244-V246 PolarHBondContact O-N 3.28Å; I244-R247 VanDerWaalsContact CG1-NH2 3.3Å; I244-R247 PolarHBondContact O-N 3.1Å; I244-L248 PolarHBondContact O-N 3.25Å; I244-H351 HydrophobicContact CG2-CB 4.46Å; I244-Q355 HydrophobicContact CB-CG 4.45Å; I244-Q355 HydrophobicContact CD1-CG 4.21Å; I244-Q355 HydrophobicContact CG2-CG 3.67Å; I244-L358 HydrophobicContact CD1-CB 4.3Å; I244-L358 HydrophobicContact CD1-CD2 3.82Å |
| 245 | L | 92.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | -178.5 | -174.6 | 62.7 | 0 | 0 | 0 | 113 | R200 N203 A204 L207 F241 R242 L248 S249 | R200-L245 HydrophobicContact CB-CD1 4.36Å; R200-L245 HydrophobicContact CG-CD1 4.34Å; N203-L245 HydrophobicContact CB-CD2 3.93Å; N203-L245 WeakPolarHBondContact ND2-CD2 3.18Å; A204-L245 HydrophobicContact CB-CD2 4.11Å; A204-L245 HydrophobicContact CB-CG 4.45Å; L207-L245 HydrophobicContact CD1-CD2 3.9Å; F241-L245 PolarHBondContact O-N 3.18Å; R242-L245 PolarHBondContact O-N 2.96Å; R242-L245 VanDerWaalsContact O-N 3.14Å; L245-L248 HydrophobicContact CD1-CD2 4.42Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-S249 WeakPolarHBondContact O-CB 3.35Å; L245-S249 PolarHBondContact O-N 3.24Å |
| 246 | V | 89.7 | Confident | 92.9 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 175 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | A204 R242 I244 S249 S250 | A204-V246 HydrophobicContact CB-CG2 3.7Å; R242-V246 HydrophobicContact CG-CG2 4.43Å; R242-V246 WeakPolarHBondContact O-CG2 3.43Å; R242-V246 PolarHBondContact O-N 2.91Å; I244-V246 PolarHBondContact O-N 3.28Å; V246-S249 PolarHBondContact O-N 3.39Å; V246-S250 PolarHBondContact O-N 2.9Å; V246-S250 PolarHBondContact O-OG 3.07Å; V246-S250 VanDerWaalsContact O-OG 3.14Å |
| 247 | R | 90.5 | Very high | 93 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 50% | 0.498 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.8 | -73 | 177.3 | -70.1 | -158.3 | 2.1 | 111.8 | K243 I244 S249 S250 D251 | K243-R247 WeakPolarHBondContact O-CG 3.47Å; K243-R247 PolarHBondContact O-N 3.47Å; K243-R247 PolarHBondContact O-NE 3.23Å; I244-R247 VanDerWaalsContact CG1-NH2 3.3Å; I244-R247 PolarHBondContact O-N 3.1Å; R247-S249 VanDerWaalsContact C-N 3.33Å; R247-S249 PolarHBondContact O-N 3.46Å; R247-S250 PolarHBondContact O-N 3.29Å; R247-D251 PolarHBondContact O-N 3.46Å |
| 248 | L | 91.7 | Very high | 92.8 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.7 | -49.7 | 174.6 | 174.4 | 62.8 | 0 | 0 | 0 | 111.2 | I244 L245 S250 D251 E252 E348 H351 | I244-L248 PolarHBondContact O-N 3.25Å; L245-L248 HydrophobicContact CD1-CD2 4.42Å; L245-L248 PolarHBondContact O-N 3.01Å; L248-S250 VanDerWaalsContact C-N 3.32Å; L248-S250 PolarHBondContact O-N 2.85Å; L248-D251 PolarHBondContact O-N 3.19Å; L248-E252 HydrophobicContact CD1-CG 4.05Å; L248-E252 WeakPolarHBondContact O-CB 3.42Å; L248-E252 VanDerWaalsContact O-CG 3.3Å; L248-E252 WeakPolarHBondContact O-CG 3.38Å; L248-E252 PolarHBondContact O-N 3.3Å; L248-E348 HydrophobicContact CD1-CG 4.36Å; L248-H351 HydrophobicContact CB-CB 4.47Å; L248-H351 HydrophobicContact CD1-CB 4.21Å |
| 249 | S | 91.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | S197 L245 V246 R247 D253 | S197-S249 PolarHBondContact O-OG 3.2Å; L245-S249 WeakPolarHBondContact O-CB 3.35Å; L245-S249 PolarHBondContact O-N 3.24Å; V246-S249 PolarHBondContact O-N 3.39Å; R247-S249 VanDerWaalsContact C-N 3.33Å; R247-S249 PolarHBondContact O-N 3.46Å; S249-D253 WeakPolarHBondContact O-CB 3.4Å; S249-D253 PolarHBondContact O-N 3.24Å |
| 250 | S | 89.4 | Confident | 92.9 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 44% | 0.441 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 112 | V246 R247 L248 D253 L254 | V246-S250 PolarHBondContact O-N 2.9Å; V246-S250 PolarHBondContact O-OG 3.07Å; V246-S250 VanDerWaalsContact O-OG 3.14Å; R247-S250 PolarHBondContact O-N 3.29Å; L248-S250 VanDerWaalsContact C-N 3.32Å; L248-S250 PolarHBondContact O-N 2.85Å; S250-D253 PolarHBondContact O-N 3.47Å; S250-L254 WeakPolarHBondContact O-CB 3.34Å; S250-L254 PolarHBondContact O-N 3Å |
| 251 | D | 91.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.9 | -75.3 | -19.5 | 0 | 0 | 0 | 111.7 | R247 L248 L254 K255 L347 H351 | R247-D251 PolarHBondContact O-N 3.46Å; L248-D251 PolarHBondContact O-N 3.19Å; D251-L254 PolarHBondContact O-N 3.1Å; D251-K255 WeakPolarHBondContact O-CB 3.24Å; D251-K255 WeakPolarHBondContact O-CG 3.37Å; D251-K255 PolarHBondContact O-N 3.08Å; D251-L347 HydrophobicContact CB-CD1 3.96Å; D251-H351 IonicContact OD2-CD2 3.93Å; D251-H351 IonicContact OD2-CE1 3.68Å; D251-H351 PolarHBondContact OD2-CE1 3.08Å; D251-H351 IonicContact OD2-NE2 3.32Å; D251-H351 PolarHBondContact OD2-NE2 2.76Å |
| 252 | E | 92.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 173.4 | -70 | 165.9 | 143.4 | 0 | 0 | 112.5 | R200 L248 L254 L256 S257 L344 | R200-E252 WeakPolarHBondContact CD-OE2 3.29Å; R200-E252 IonicContact CZ-OE1 2.93Å; R200-E252 IonicContact CZ-OE2 3.89Å; R200-E252 IonicContact NE-OE1 2.78Å; R200-E252 PolarHBondContact NE-OE1 3.26Å; R200-E252 IonicContact NE-OE2 3.25Å; R200-E252 PolarHBondContact NE-OE2 3.09Å; R200-E252 IonicContact NH1-OE1 2.75Å; R200-E252 PolarHBondContact NH1-OE1 3.02Å; R200-E252 VanDerWaalsContact NH1-OE1 3.17Å; R200-E252 IonicContact NH1-OE2 3.99Å; R200-E252 PolarHBondContact NH1-OE2 2.97Å; R200-E252 IonicContact NH2-OE1 2.71Å; R200-E252 PolarHBondContact NH2-OE1 3.42Å; R200-E252 IonicContact NH2-OE2 2.77Å; L248-E252 HydrophobicContact CD1-CG 4.05Å; L248-E252 WeakPolarHBondContact O-CB 3.42Å; L248-E252 VanDerWaalsContact O-CG 3.3Å; L248-E252 WeakPolarHBondContact O-CG 3.38Å; L248-E252 PolarHBondContact O-N 3.3Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 2.87Å; E252-L256 WeakPolarHBondContact O-CA 3.45Å; E252-L256 WeakPolarHBondContact O-CB 3.39Å; E252-L256 PolarHBondContact O-N 2.9Å; E252-S257 PolarHBondContact O-N 3.02Å; E252-L344 HydrophobicContact CB-CD1 4.44Å; E252-L344 HydrophobicContact CG-CD1 3.88Å |
| 253 | D | 91.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -61.2 | -43.8 | 174 | -171.6 | 52.4 | 0 | 0 | 0 | 110.8 | K100 S249 S250 S257 D258 R261 | K100-D253 IonicContact NZ-OD2 2.82Å; K100-D253 PolarHBondContact NZ-OD2 3.32Å; S249-D253 WeakPolarHBondContact O-CB 3.4Å; S249-D253 PolarHBondContact O-N 3.24Å; S250-D253 PolarHBondContact O-N 3.47Å; D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.49Å; D253-S257 WeakPolarHBondContact OD1-CB 3.34Å; D253-D258 PolarHBondContact O-N 2.85Å; D253-R261 IonicContact OD1-CZ 3.36Å; D253-R261 IonicContact OD1-NH1 3.51Å; D253-R261 PolarHBondContact OD1-NH1 3.47Å; D253-R261 IonicContact OD1-NH2 3.77Å; D253-R261 PolarHBondContact OD1-NH2 3.4Å; D253-R261 IonicContact OD2-NH2 3.91Å |
| 254 | L | 90.8 | Very high | 93 | Very high | 91 Ų | 91 | 33.8 Ų | 33.8 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -70.4 | -41.1 | -178.6 | -179.5 | 63.5 | 0 | 0 | 0 | 113.4 | S250 D251 E252 D258 | S250-L254 WeakPolarHBondContact O-CB 3.34Å; S250-L254 PolarHBondContact O-N 3Å; D251-L254 PolarHBondContact O-N 3.1Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 2.87Å; L254-D258 WeakPolarHBondContact O-CB 3.45Å |
| 255 | K | 94 | Very high | 93 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -93.9 | -34 | -173.5 | -62.6 | -60.7 | -178.4 | 169.3 | 0 | 113.3 | D251 T259 N340 D343 L344 L347 | D251-K255 WeakPolarHBondContact O-CB 3.24Å; D251-K255 WeakPolarHBondContact O-CG 3.37Å; D251-K255 PolarHBondContact O-N 3.08Å; K255-T259 WeakPolarHBondContact O-CB 3.41Å; K255-T259 PolarHBondContact O-OG1 2.91Å; K255-N340 WeakPolarHBondContact O-CB 3.43Å; K255-D343 HydrophobicContact CD-CB 3.96Å; K255-D343 HydrophobicContact CG-CB 4.45Å; K255-D343 IonicContact NZ-OD2 3.35Å; K255-D343 PolarHBondContact NZ-OD2 3.48Å; K255-L344 HydrophobicContact CB-CB 3.96Å; K255-L344 HydrophobicContact CB-CD1 4.24Å; K255-L347 HydrophobicContact CG-CD1 4.02Å |
| 256 | L | 95.6 | Very high | 93.1 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -100.5 | -61.1 | -177.8 | -165.3 | 65 | 0 | 0 | 0 | 111.7 | A193 E252 D258 T259 F260 L341 L344 | A193-L256 HydrophobicContact CB-CD2 4.31Å; A193-L256 HydrophobicContact CB-CG 4.41Å; E252-L256 WeakPolarHBondContact O-CA 3.45Å; E252-L256 WeakPolarHBondContact O-CB 3.39Å; E252-L256 PolarHBondContact O-N 2.9Å; L256-D258 PolarHBondContact O-N 3.21Å; L256-T259 WeakPolarHBondContact O-CB 3.41Å; L256-T259 PolarHBondContact O-N 3.37Å; L256-F260 HydrophobicContact CD1-CE1 3.72Å; L256-F260 HydrophobicContact CD1-CE2 3.79Å; L256-F260 HydrophobicContact CD1-CZ 3.33Å; L256-F260 HydrophobicContact CD2-CE2 4.28Å; L256-F260 HydrophobicContact CG-CD2 4.25Å; L256-F260 HydrophobicContact CG-CE1 4.41Å; L256-F260 HydrophobicContact CG-CE2 3.74Å; L256-F260 HydrophobicContact CG-CZ 3.85Å; L256-F260 WeakPolarHBondContact O-CG 3.4Å; L256-F260 PolarHBondContact O-N 3.43Å; L256-L341 HydrophobicContact CD1-CD2 3.86Å; L256-L344 HydrophobicContact CB-CD2 3.97Å; L256-L344 HydrophobicContact CD1-CD2 3.99Å; L256-L344 HydrophobicContact CD2-CD2 4.32Å; L256-L344 HydrophobicContact CG-CD2 4.32Å |
| 257 | S | 94.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -66.8 | -41.3 | -169.9 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | A193 E252 D253 F260 R261 | A193-S257 WeakPolarHBondContact CB-OG 3.42Å; E252-S257 PolarHBondContact O-N 3.02Å; D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.49Å; D253-S257 WeakPolarHBondContact OD1-CB 3.34Å; S257-F260 PolarHBondContact O-N 2.87Å; S257-R261 WeakPolarHBondContact O-CB 3.41Å; S257-R261 WeakPolarHBondContact O-CG 3.42Å; S257-R261 PolarHBondContact O-N 3.33Å |
| 258 | D | 92.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 174.2 | -82.9 | -25.2 | 0 | 0 | 0 | 113.6 | K100 D253 L254 L256 F260 R261 Y262 | K100-D258 VanDerWaalsContact CE-CG 3.41Å; K100-D258 WeakPolarHBondContact CE-OD1 3.43Å; K100-D258 WeakPolarHBondContact CE-OD2 2.96Å; K100-D258 IonicContact NZ-OD1 3.49Å; K100-D258 PolarHBondContact NZ-OD1 3.43Å; K100-D258 IonicContact NZ-OD2 3.24Å; K100-D258 PolarHBondContact NZ-OD2 2.9Å; D253-D258 PolarHBondContact O-N 2.85Å; L254-D258 WeakPolarHBondContact O-CB 3.45Å; L256-D258 PolarHBondContact O-N 3.21Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 PolarHBondContact O-N 2.82Å; D258-R261 VanDerWaalsContact CG-NH2 3.32Å; D258-R261 PolarHBondContact O-N 3.19Å; D258-R261 IonicContact OD1-CZ 3.47Å; D258-R261 VanDerWaalsContact OD1-CZ 3.26Å; D258-R261 IonicContact OD1-NE 3.51Å; D258-R261 PolarHBondContact OD1-NE 3.31Å; D258-R261 VanDerWaalsContact OD1-NE 3.11Å; D258-R261 IonicContact OD1-NH2 3.82Å; D258-R261 PolarHBondContact OD1-NH2 3.19Å; D258-R261 IonicContact OD2-NH2 2.81Å; D258-Y262 WeakPolarHBondContact O-CB 3.45Å; D258-Y262 PolarHBondContact O-N 3.08Å |
| 259 | T | 95.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 174 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | K255 L256 Y263 Y336 F337 N340 | K255-T259 WeakPolarHBondContact O-CB 3.41Å; K255-T259 PolarHBondContact O-OG1 2.91Å; L256-T259 WeakPolarHBondContact O-CB 3.41Å; L256-T259 PolarHBondContact O-N 3.37Å; T259-Y263 HydrophobicContact CG2-CD2 4.2Å; T259-Y263 WeakPolarHBondContact O-CD2 3.44Å; T259-Y263 PolarHBondContact O-N 3.01Å; T259-Y263 VanDerWaalsContact O-N 3.09Å; T259-Y336 HydrophobicContact CG2-CD1 4.03Å; T259-Y336 HydrophobicContact CG2-CE1 4.24Å; T259-F337 HydrophobicContact CG2-CD1 4.14Å; T259-F337 HydrophobicContact CG2-CD2 4.35Å; T259-F337 HydrophobicContact CG2-CE1 4.11Å; T259-F337 HydrophobicContact CG2-CE2 4.33Å; T259-F337 HydrophobicContact CG2-CG 4.27Å; T259-F337 HydrophobicContact CG2-CZ 4.2Å; T259-N340 WeakPolarHBondContact OG1-CB 3.41Å; T259-N340 PolarHBondContact OG1-ND2 3.43Å |
| 260 | F | 97.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -47 | 178.9 | -67.1 | -8.6 | 0 | 0 | 0 | 112.5 | I186 A189 T190 A193 L256 S257 D258 Y262 Y263 A264 F337 | I186-F260 HydrophobicContact CD1-CB 4.01Å; I186-F260 HydrophobicContact CD1-CD1 3.64Å; I186-F260 HydrophobicContact CD1-CE1 4.33Å; I186-F260 HydrophobicContact CD1-CG 3.94Å; A189-F260 HydrophobicContact CB-CD2 3.85Å; A189-F260 HydrophobicContact CB-CE2 3.7Å; A189-F260 HydrophobicContact CB-CG 4.45Å; A189-F260 HydrophobicContact CB-CZ 4.2Å; A189-F260 WeakPolarHBondContact O-CD2 3.42Å; T190-F260 HydrophobicContact CG2-CB 4.43Å; T190-F260 WeakPolarHBondContact OG1-CB 3.21Å; T190-F260 PolarHBondContact OG1-O 3.29Å; A193-F260 HydrophobicContact CB-CD2 3.74Å; A193-F260 HydrophobicContact CB-CE2 4.03Å; L256-F260 HydrophobicContact CD1-CE1 3.72Å; L256-F260 HydrophobicContact CD1-CE2 3.79Å; L256-F260 HydrophobicContact CD1-CZ 3.33Å; L256-F260 HydrophobicContact CD2-CE2 4.28Å; L256-F260 HydrophobicContact CG-CD2 4.25Å; L256-F260 HydrophobicContact CG-CE1 4.41Å; L256-F260 HydrophobicContact CG-CE2 3.74Å; L256-F260 HydrophobicContact CG-CZ 3.85Å; L256-F260 WeakPolarHBondContact O-CG 3.4Å; L256-F260 PolarHBondContact O-N 3.43Å; S257-F260 PolarHBondContact O-N 2.87Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 PolarHBondContact O-N 2.82Å; F260-Y262 VanDerWaalsContact C-N 3.34Å; F260-Y262 PolarHBondContact O-N 2.96Å; F260-Y263 PolarHBondContact O-N 3.07Å; F260-A264 WeakPolarHBondContact O-CB 3.24Å; F260-A264 PolarHBondContact O-N 2.95Å; F260-F337 AromaticContact CD1-CE1 3.78Å; F260-F337 HydrophobicContact CD1-CE1 3.78Å; F260-F337 HydrophobicContact CD1-CZ 4.25Å; F260-F337 HydrophobicContact CE1-CD1 4.44Å; F260-F337 AromaticContact CE1-CE1 3.67Å; F260-F337 HydrophobicContact CE1-CE1 3.67Å |
| 261 | R | 94.3 | Very high | 94 | Very high | 63 Ų | 63 | 27.9 Ų | 27.9 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.3 | -47.5 | 176 | -77 | -176.6 | -71.5 | -109.3 | 1.5 | 111.7 | T190 D194 D253 S257 D258 A264 I265 | T190-R261 HydrophobicContact CG2-CB 4.37Å; T190-R261 HydrophobicContact CG2-CG 3.47Å; T190-R261 VanDerWaalsContact CG2-CG 3.47Å; D194-R261 IonicContact OD1-CZ 2.68Å; D194-R261 IonicContact OD1-NH1 3.21Å; D194-R261 PolarHBondContact OD1-NH1 3.28Å; D194-R261 IonicContact OD2-NH1 2.64Å; D253-R261 IonicContact OD1-CZ 3.36Å; D253-R261 IonicContact OD1-NH1 3.51Å; D253-R261 PolarHBondContact OD1-NH1 3.47Å; D253-R261 IonicContact OD1-NH2 3.77Å; D253-R261 PolarHBondContact OD1-NH2 3.4Å; D253-R261 IonicContact OD2-NH2 3.91Å; S257-R261 WeakPolarHBondContact O-CB 3.41Å; S257-R261 WeakPolarHBondContact O-CG 3.42Å; S257-R261 PolarHBondContact O-N 3.33Å; D258-R261 VanDerWaalsContact CG-NH2 3.32Å; D258-R261 PolarHBondContact O-N 3.19Å; D258-R261 IonicContact OD1-CZ 3.47Å; D258-R261 VanDerWaalsContact OD1-CZ 3.26Å; D258-R261 IonicContact OD1-NE 3.51Å; D258-R261 PolarHBondContact OD1-NE 3.31Å; D258-R261 VanDerWaalsContact OD1-NE 3.11Å; D258-R261 IonicContact OD1-NH2 3.82Å; D258-R261 PolarHBondContact OD1-NH2 3.19Å; D258-R261 IonicContact OD2-NH2 2.81Å; R261-A264 PolarHBondContact O-N 2.86Å; R261-I265 WeakPolarHBondContact O-CG1 3.26Å; R261-I265 PolarHBondContact O-N 3.47Å |
| 262 | Y | 94.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 178.4 | 176.2 | -90.1 | 0 | 0 | 0 | 111 | P54 M104 V107 R111 D258 F260 A264 I265 D266 | P54-Y262 HydrophobicContact CG-CE2 4.1Å; M104-Y262 HydrophobicContact CE-CD2 3.98Å; V107-Y262 HydrophobicContact CG1-CE2 3.92Å; R111-Y262 WeakPolarHBondContact CD-OH 3.14Å; R111-Y262 PolarHBondContact NH1-OH 3.46Å; D258-Y262 WeakPolarHBondContact O-CB 3.45Å; D258-Y262 PolarHBondContact O-N 3.08Å; F260-Y262 VanDerWaalsContact C-N 3.34Å; F260-Y262 PolarHBondContact O-N 2.96Å; Y262-A264 PolarHBondContact O-N 3.48Å; Y262-I265 PolarHBondContact O-N 3.2Å; Y262-D266 HydrophobicContact CD1-CB 4.45Å; Y262-D266 HydrophobicContact CE1-CB 4.08Å; Y262-D266 WeakPolarHBondContact O-CB 3.49Å; Y262-D266 PolarHBondContact O-N 3.44Å |
| 263 | Y | 95.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.8 | -22.5 | -178.2 | -83.7 | -74.4 | 0 | 0 | 0 | 114.4 | T259 F260 I265 D266 T267 F329 R332 R333 Y336 F337 | T259-Y263 HydrophobicContact CG2-CD2 4.2Å; T259-Y263 WeakPolarHBondContact O-CD2 3.44Å; T259-Y263 PolarHBondContact O-N 3.01Å; T259-Y263 VanDerWaalsContact O-N 3.09Å; F260-Y263 PolarHBondContact O-N 3.07Å; Y263-I265 VanDerWaalsContact C-N 3.27Å; Y263-I265 PolarHBondContact O-N 3Å; Y263-D266 HydrophobicContact CD1-CB 4.25Å; Y263-T267 WeakPolarHBondContact O-CB 3.02Å; Y263-T267 PolarHBondContact O-N 3.33Å; Y263-T267 PolarHBondContact O-OG1 3.4Å; Y263-F329 HydrophobicContact CD1-CE2 4.32Å; Y263-F329 HydrophobicContact CE1-CE2 4.35Å; Y263-R332 PolarHBondContact OH-O 2.91Å; Y263-R333 HydrophobicContact CD1-CB 4.27Å; Y263-R333 HydrophobicContact CD1-CG 3.98Å; Y263-R333 HydrophobicContact CE1-CB 3.65Å; Y263-R333 HydrophobicContact CE1-CG 3.82Å; Y263-R333 VanDerWaalsContact OH-CA 3.32Å; Y263-R333 WeakPolarHBondContact OH-CA 3.3Å; Y263-Y336 HydrophobicContact CD2-CD1 4.43Å; Y263-Y336 AromaticContact CE2-CD1 3.58Å; Y263-Y336 HydrophobicContact CE2-CD1 3.58Å; Y263-Y336 HydrophobicContact CE2-CE1 4.42Å; Y263-Y336 AromaticContact CE2-CG 3.95Å; Y263-Y336 HydrophobicContact CE2-CG 3.95Å; Y263-Y336 VanDerWaalsContact OH-CB 3.27Å; Y263-Y336 WeakPolarHBondContact OH-CB 3.5Å; Y263-F337 HydrophobicContact CD1-CE2 4.14Å; Y263-F337 AromaticContact CD2-CD2 3.83Å; Y263-F337 HydrophobicContact CD2-CD2 3.83Å; Y263-F337 AromaticContact CD2-CE2 3.22Å; Y263-F337 HydrophobicContact CD2-CE2 3.22Å; Y263-F337 AromaticContact CD2-CZ 3.99Å; Y263-F337 HydrophobicContact CD2-CZ 3.99Å; Y263-F337 AromaticContact CE2-CD2 3.92Å; Y263-F337 HydrophobicContact CE2-CD2 3.92Å; Y263-F337 AromaticContact CE2-CE2 3.79Å; Y263-F337 HydrophobicContact CE2-CE2 3.79Å; Y263-F337 HydrophobicContact CG-CD2 4.35Å; Y263-F337 AromaticContact CG-CE2 3.44Å; Y263-F337 HydrophobicContact CG-CE2 3.44Å; Y263-F337 VanDerWaalsContact CG-CE2 3.44Å; Y263-F337 HydrophobicContact CG-CZ 4.15Å |
| 264 | A | 94.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 12% | 0.116 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H183 I186 K187 F260 R261 Y262 | H183-A264 PolarHBondContact CE1-O 3.49Å; I186-A264 HydrophobicContact CG1-CB 4.44Å; I186-A264 HydrophobicContact CG2-CB 4.18Å; K187-A264 HydrophobicContact CG-CB 4.3Å; F260-A264 WeakPolarHBondContact O-CB 3.24Å; F260-A264 PolarHBondContact O-N 2.95Å; R261-A264 PolarHBondContact O-N 2.86Å; Y262-A264 PolarHBondContact O-N 3.48Å |
| 265 | I | 93.4 | Very high | 94.4 | Very high | 92 Ų | 92 | 23.2 Ų | 23.2 | 47% | 0.472 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -83.6 | -42.7 | 176.9 | -50.2 | 165.1 | 0 | 0 | 0 | 110.3 | P54 R261 Y262 Y263 T267 G268 A269 | P54-I265 HydrophobicContact CB-CB 4.09Å; P54-I265 HydrophobicContact CB-CG2 3.45Å; P54-I265 VanDerWaalsContact CB-CG2 3.45Å; P54-I265 HydrophobicContact CG-CG2 4.43Å; R261-I265 WeakPolarHBondContact O-CG1 3.26Å; R261-I265 PolarHBondContact O-N 3.47Å; Y262-I265 PolarHBondContact O-N 3.2Å; Y263-I265 VanDerWaalsContact C-N 3.27Å; Y263-I265 PolarHBondContact O-N 3Å; I265-T267 VanDerWaalsContact C-N 3.32Å; I265-T267 PolarHBondContact O-N 3.34Å; I265-G268 VanDerWaalsContact O-CA 3.3Å; I265-G268 WeakPolarHBondContact O-CA 3.48Å; I265-G268 PolarHBondContact O-N 3.46Å; I265-A269 PolarHBondContact O-N 3.06Å |
| 266 | D | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 179.2 | -159.9 | 34.6 | 0 | 0 | 0 | 112.3 | P54 R111 Y262 Y263 G268 A269 A270 F329 | P54-D266 HydrophobicContact CG-CB 4.4Å; R111-D266 IonicContact CZ-OD1 2.63Å; R111-D266 VanDerWaalsContact NH1-CG 3.33Å; R111-D266 IonicContact NH1-OD1 2.84Å; R111-D266 PolarHBondContact NH1-OD1 3.03Å; R111-D266 IonicContact NH1-OD2 2.93Å; R111-D266 IonicContact NH2-OD1 3.6Å; R111-D266 PolarHBondContact NH2-OD1 3.49Å; Y262-D266 HydrophobicContact CD1-CB 4.45Å; Y262-D266 HydrophobicContact CE1-CB 4.08Å; Y262-D266 WeakPolarHBondContact O-CB 3.49Å; Y262-D266 PolarHBondContact O-N 3.44Å; Y263-D266 HydrophobicContact CD1-CB 4.25Å; D266-G268 VanDerWaalsContact C-N 3.27Å; D266-G268 PolarHBondContact O-N 3.36Å; D266-A269 WeakPolarHBondContact O-CB 3.27Å; D266-A269 PolarHBondContact O-N 3Å; D266-A269 VanDerWaalsContact O-N 3.16Å; D266-A270 PolarHBondContact O-N 2.89Å; D266-F329 HydrophobicContact CB-CE2 4.3Å; D266-F329 WeakPolarHBondContact OD2-CE2 3.48Å |
| 267 | T | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -32.6 | 171.2 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | L179 Y182 H183 Y263 I265 A269 A270 R271 | L179-T267 HydrophobicContact CD2-CG2 4.15Å; Y182-T267 HydrophobicContact CD1-CG2 3.7Å; Y182-T267 HydrophobicContact CE1-CG2 4.11Å; Y182-T267 WeakPolarHBondContact CE1-OG1 3.32Å; H183-T267 HydrophobicContact CB-CG2 3.67Å; H183-T267 WeakPolarHBondContact ND1-CG2 3.45Å; Y263-T267 WeakPolarHBondContact O-CB 3.02Å; Y263-T267 PolarHBondContact O-N 3.33Å; Y263-T267 PolarHBondContact O-OG1 3.4Å; I265-T267 VanDerWaalsContact C-N 3.32Å; I265-T267 PolarHBondContact O-N 3.34Å; T267-A269 VanDerWaalsContact C-N 3.34Å; T267-A270 PolarHBondContact O-N 2.89Å; T267-R271 WeakPolarHBondContact O-CG 3.27Å; T267-R271 PolarHBondContact O-N 3.37Å |
| 268 | G | 92.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 22% | 0.216 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I265 D266 A270 R271 D272 | I265-G268 VanDerWaalsContact O-CA 3.3Å; I265-G268 WeakPolarHBondContact O-CA 3.48Å; I265-G268 PolarHBondContact O-N 3.46Å; D266-G268 VanDerWaalsContact C-N 3.27Å; D266-G268 PolarHBondContact O-N 3.36Å; G268-A270 VanDerWaalsContact C-N 3.34Å; G268-A270 PolarHBondContact O-N 3.49Å; G268-R271 WeakPolarHBondContact O-CB 3.47Å; G268-R271 PolarHBondContact O-N 2.9Å; G268-D272 PolarHBondContact O-N 3.28Å |
| 269 | A | 94.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 24 Ų | 24 | 12% | 0.124 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I51 V52 I265 D266 T267 D272 L273 | I51-A269 HydrophobicContact CG2-CB 3.77Å; V52-A269 WeakPolarHBondContact O-CB 3.11Å; I265-A269 PolarHBondContact O-N 3.06Å; D266-A269 WeakPolarHBondContact O-CB 3.27Å; D266-A269 PolarHBondContact O-N 3Å; D266-A269 VanDerWaalsContact O-N 3.16Å; T267-A269 VanDerWaalsContact C-N 3.34Å; A269-D272 WeakPolarHBondContact O-CB 2.98Å; A269-D272 PolarHBondContact O-N 2.87Å; A269-L273 PolarHBondContact O-N 3.04Å; A269-L273 VanDerWaalsContact O-N 3.11Å |
| 270 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | I51 L179 D266 T267 G268 L273 L274 L326 F329 | I51-A270 HydrophobicContact CD1-CB 3.74Å; I51-A270 HydrophobicContact CG1-CB 4.42Å; L179-A270 HydrophobicContact CD1-CB 3.98Å; L179-A270 HydrophobicContact CD2-CB 4.33Å; D266-A270 PolarHBondContact O-N 2.89Å; T267-A270 PolarHBondContact O-N 2.89Å; G268-A270 VanDerWaalsContact C-N 3.34Å; G268-A270 PolarHBondContact O-N 3.49Å; A270-L273 WeakPolarHBondContact O-CB 3.39Å; A270-L273 PolarHBondContact O-N 3.35Å; A270-L274 PolarHBondContact O-N 2.63Å; A270-L326 HydrophobicContact CB-CD2 4.4Å; A270-F329 HydrophobicContact CB-CD1 4.49Å; A270-F329 HydrophobicContact CB-CE1 4.37Å; A270-F329 HydrophobicContact CB-CE2 4.42Å; A270-F329 HydrophobicContact CB-CZ 4.33Å |
| 271 | R | 93.5 | Very high | 94.1 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 18% | 0.177 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.2 | -38.9 | 173.2 | -73.7 | 177.9 | 47.6 | 165.6 | 1.7 | 112.7 | E158 H183 T267 G268 L273 L274 Y275 | E158-R271 IonicContact OE1-CZ 2.81Å; E158-R271 VanDerWaalsContact OE1-CZ 3.25Å; E158-R271 IonicContact OE1-NE 3.04Å; E158-R271 PolarHBondContact OE1-NE 3.46Å; E158-R271 IonicContact OE1-NH2 3.36Å; E158-R271 PolarHBondContact OE1-NH2 3.33Å; E158-R271 IonicContact OE2-NH2 2.65Å; H183-R271 PolarHBondContact CD2-NH1 3.46Å; T267-R271 WeakPolarHBondContact O-CG 3.27Å; T267-R271 PolarHBondContact O-N 3.37Å; G268-R271 WeakPolarHBondContact O-CB 3.47Å; G268-R271 PolarHBondContact O-N 2.9Å; R271-L273 VanDerWaalsContact C-N 3.26Å; R271-L273 PolarHBondContact O-N 3.19Å; R271-L274 WeakPolarHBondContact O-CB 3.47Å; R271-L274 PolarHBondContact O-N 2.95Å; R271-Y275 PolarHBondContact O-N 3.18Å |
| 272 | D | 91.9 | Very high | 94 | Very high | 39 Ų | 39 | 20.5 Ų | 20.5 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -34 | 175.2 | -93.9 | -14.8 | 0 | 0 | 0 | 112.4 | K154 G268 A269 R276 | K154-D272 VanDerWaalsContact CE-OD1 3.32Å; K154-D272 WeakPolarHBondContact CE-OD1 3.34Å; K154-D272 IonicContact NZ-OD1 3.11Å; K154-D272 PolarHBondContact NZ-OD1 2.87Å; K154-D272 IonicContact NZ-OD2 2.7Å; K154-D272 PolarHBondContact NZ-OD2 3.45Å; G268-D272 PolarHBondContact O-N 3.28Å; A269-D272 WeakPolarHBondContact O-CB 2.98Å; A269-D272 PolarHBondContact O-N 2.87Å; D272-R276 WeakPolarHBondContact O-CG 3.5Å; D272-R276 PolarHBondContact O-N 2.7Å; D272-R276 PolarHBondContact O-NE 3.42Å |
| 273 | L | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 169.5 | 170.5 | 165.3 | 0 | 0 | 0 | 111.6 | G49 I51 A269 A270 R271 Y275 R276 R277 A322 E325 L326 | G49-L273 WeakPolarHBondContact O-CD1 3.35Å; I51-L273 HydrophobicContact CD1-CD1 4.31Å; I51-L273 HydrophobicContact CG1-CB 4.29Å; I51-L273 HydrophobicContact CG1-CD1 3.51Å; A269-L273 PolarHBondContact O-N 3.04Å; A269-L273 VanDerWaalsContact O-N 3.11Å; A270-L273 WeakPolarHBondContact O-CB 3.39Å; A270-L273 PolarHBondContact O-N 3.35Å; R271-L273 VanDerWaalsContact C-N 3.26Å; R271-L273 PolarHBondContact O-N 3.19Å; L273-Y275 VanDerWaalsContact C-N 3.25Å; L273-Y275 PolarHBondContact O-N 3.17Å; L273-R276 PolarHBondContact O-N 2.96Å; L273-R277 PolarHBondContact O-N 3Å; L273-A322 HydrophobicContact CD1-CB 4.29Å; L273-A322 HydrophobicContact CD2-CB 3.51Å; L273-A322 HydrophobicContact CG-CB 4.13Å; L273-E325 HydrophobicContact CD1-CB 4.15Å; L273-E325 HydrophobicContact CD1-CG 4.16Å; L273-L326 HydrophobicContact CD2-CD1 3.85Å; L273-L326 HydrophobicContact CD2-CD2 4.43Å; L273-L326 HydrophobicContact CD2-CG 4.13Å |
| 274 | L | 94.5 | Very high | 94 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 177.1 | -72.4 | 179 | 0 | 0 | 0 | 111.7 | L162 F172 K176 L179 A270 R271 R277 C278 L326 | L162-L274 HydrophobicContact CD2-CB 3.82Å; F172-L274 HydrophobicContact CD1-CD2 3.82Å; F172-L274 HydrophobicContact CE1-CD2 4.43Å; K176-L274 HydrophobicContact CB-CD1 4.41Å; K176-L274 HydrophobicContact CG-CD1 3.83Å; K176-L274 HydrophobicContact CG-CD2 4.47Å; L179-L274 HydrophobicContact CB-CD1 4.45Å; L179-L274 HydrophobicContact CD1-CD1 3.58Å; L179-L274 HydrophobicContact CD1-CG 4.27Å; A270-L274 PolarHBondContact O-N 2.63Å; R271-L274 WeakPolarHBondContact O-CB 3.47Å; R271-L274 PolarHBondContact O-N 2.95Å; L274-R277 PolarHBondContact O-N 3.41Å; L274-C278 PolarHBondContact O-N 3.46Å; L274-C278 PolarHBondContact O-SG 3.14Å; L274-L326 HydrophobicContact CD2-CD1 3.88Å |
| 275 | Y | 92.1 | Very high | 94 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 11% | 0.114 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 175.6 | 169 | -106.2 | 0 | 0 | 0 | 112 | K154 D157 E158 W161 R271 L273 R277 C278 R279 | K154-Y275 HydrophobicContact CG-CE1 4.38Å; D157-Y275 PolarHBondContact OD2-OH 3.33Å; E158-Y275 HydrophobicContact CB-CD2 3.93Å; E158-Y275 HydrophobicContact CB-CE2 4.29Å; E158-Y275 HydrophobicContact CB-CG 4.23Å; E158-Y275 HydrophobicContact CG-CD2 3.93Å; E158-Y275 HydrophobicContact CG-CG 3.86Å; W161-Y275 HydrophobicContact CB-CD2 4.23Å; W161-Y275 HydrophobicContact CB-CE2 4.19Å; W161-Y275 AromaticContact CD1-CE2 3.84Å; W161-Y275 HydrophobicContact CG-CE2 4.23Å; R271-Y275 PolarHBondContact O-N 3.18Å; L273-Y275 VanDerWaalsContact C-N 3.25Å; L273-Y275 PolarHBondContact O-N 3.17Å; Y275-R277 VanDerWaalsContact C-N 3.27Å; Y275-R277 PolarHBondContact O-N 3.39Å; Y275-C278 PolarHBondContact O-N 3.23Å; Y275-C278 VanDerWaalsContact O-N 3.08Å; Y275-R279 HydrophobicContact CD2-CG 4.21Å; Y275-R279 HydrophobicContact CE1-CG 4.1Å; Y275-R279 HydrophobicContact CE2-CG 3.79Å; Y275-R279 WeakPolarHBondContact O-CG 3.34Å; Y275-R279 PolarHBondContact O-N 3.26Å |
| 276 | R | 92.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 25.3 Ų | 25.3 | 15% | 0.151 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 176.1 | -75.9 | 177.6 | -70.4 | 158.7 | 8.6 | 111.7 | Y47 A48 L50 D272 L273 R279 A280 | Y47-R276 PolarHBondContact O-NH1 3Å; A48-R276 VanDerWaalsContact O-CZ 3.24Å; A48-R276 PolarHBondContact O-NE 3.46Å; A48-R276 PolarHBondContact O-NH1 3.32Å; L50-R276 PolarHBondContact O-NH2 3.08Å; D272-R276 WeakPolarHBondContact O-CG 3.5Å; D272-R276 PolarHBondContact O-N 2.7Å; D272-R276 PolarHBondContact O-NE 3.42Å; L273-R276 PolarHBondContact O-N 2.96Å; R276-R279 PolarHBondContact O-N 3.5Å; R276-A280 PolarHBondContact O-N 2.9Å |
| 277 | R | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 173 | -173.7 | -178 | 164.2 | -83 | 0.9 | 112.5 | D167 F172 L273 L274 Y275 R279 A280 L281 F315 I318 S319 | D167-R277 IonicContact OD1-CZ 3.61Å; D167-R277 IonicContact OD1-NH1 2.66Å; D167-R277 IonicContact OD1-NH2 3.66Å; D167-R277 PolarHBondContact OD1-NH2 3.04Å; D167-R277 IonicContact OD2-CZ 2.91Å; D167-R277 IonicContact OD2-NH1 3.27Å; D167-R277 PolarHBondContact OD2-NH1 2.88Å; D167-R277 IonicContact OD2-NH2 3.98Å; F172-R277 VanDerWaalsContact CE2-CZ 3.47Å; F172-R277 VanDerWaalsContact CZ-NE 3.31Å; L273-R277 PolarHBondContact O-N 3Å; L274-R277 PolarHBondContact O-N 3.41Å; Y275-R277 VanDerWaalsContact C-N 3.27Å; Y275-R277 PolarHBondContact O-N 3.39Å; R277-R279 VanDerWaalsContact C-N 3.29Å; R277-R279 PolarHBondContact O-N 2.85Å; R277-A280 PolarHBondContact O-N 2.92Å; R277-L281 PolarHBondContact O-N 3.32Å; R277-F315 HydrophobicContact CG-CD2 4.46Å; R277-F315 HydrophobicContact CG-CE2 4.08Å; R277-I318 HydrophobicContact CB-CG2 3.79Å; R277-I318 HydrophobicContact CG-CG2 4.07Å; R277-S319 PolarHBondContact NE-OG 2.93Å |
| 278 | C | 93.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.7 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | Q165 K176 L274 Y275 L281 A282 | Q165-C278 HydrophobicContact CB-CB 4.45Å; Q165-C278 HydrophobicContact CG-CB 4.42Å; K176-C278 WeakPolarHBondContact CE-SG 3.5Å; K176-C278 PolarHBondContact NZ-SG 3.09Å; L274-C278 PolarHBondContact O-N 3.46Å; L274-C278 PolarHBondContact O-SG 3.14Å; Y275-C278 PolarHBondContact O-N 3.23Å; Y275-C278 VanDerWaalsContact O-N 3.08Å; C278-L281 WeakPolarHBondContact O-CB 3.4Å; C278-L281 PolarHBondContact O-N 3.41Å; C278-A282 PolarHBondContact O-N 3.5Å |
| 279 | R | 92.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 32.9 Ų | 32.9 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.4 | -47 | 173.2 | -70.7 | -63.8 | -56.2 | -149.6 | -1.3 | 111.4 | D157 Y275 R276 R277 L281 A282 D283 | D157-R279 IonicContact OD2-NH1 3.04Å; Y275-R279 HydrophobicContact CD2-CG 4.21Å; Y275-R279 HydrophobicContact CE1-CG 4.1Å; Y275-R279 HydrophobicContact CE2-CG 3.79Å; Y275-R279 WeakPolarHBondContact O-CG 3.34Å; Y275-R279 PolarHBondContact O-N 3.26Å; R276-R279 PolarHBondContact O-N 3.5Å; R277-R279 VanDerWaalsContact C-N 3.29Å; R277-R279 PolarHBondContact O-N 2.85Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 3.1Å; R279-A282 PolarHBondContact O-N 3.47Å; R279-A282 VanDerWaalsContact O-N 3.13Å; R279-D283 VanDerWaalsContact O-CG 3.22Å; R279-D283 PolarHBondContact O-N 2.88Å |
| 280 | A | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R276 R277 Y284 F315 I318 | R276-A280 PolarHBondContact O-N 2.9Å; R277-A280 PolarHBondContact O-N 2.92Å; A280-Y284 WeakPolarHBondContact O-CB 3.41Å; A280-Y284 PolarHBondContact O-N 3.42Å; A280-F315 HydrophobicContact CB-CB 4.3Å; A280-F315 HydrophobicContact CB-CD2 4.29Å; A280-I318 HydrophobicContact CB-CD1 3.79Å |
| 281 | L | 95.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 172.8 | 178.5 | 57.8 | 0 | 0 | 0 | 111.9 | Q165 D167 R277 C278 R279 D283 Y284 E285 F315 | Q165-L281 HydrophobicContact CG-CD2 4.04Å; D167-L281 HydrophobicContact CB-CD2 4.37Å; R277-L281 PolarHBondContact O-N 3.32Å; C278-L281 WeakPolarHBondContact O-CB 3.4Å; C278-L281 PolarHBondContact O-N 3.41Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 3.1Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.48Å; L281-Y284 HydrophobicContact CD1-CD1 4.47Å; L281-Y284 WeakPolarHBondContact O-CB 3.43Å; L281-Y284 PolarHBondContact O-N 3.3Å; L281-E285 HydrophobicContact CD1-CG 4.36Å; L281-E285 WeakPolarHBondContact O-CG 3.33Å; L281-E285 PolarHBondContact O-N 3.34Å; L281-F315 HydrophobicContact CB-CD2 3.87Å; L281-F315 HydrophobicContact CB-CE2 3.63Å; L281-F315 HydrophobicContact CB-CZ 4.3Å; L281-F315 HydrophobicContact CD1-CD2 4.47Å; L281-F315 HydrophobicContact CD1-CE1 4.09Å; L281-F315 HydrophobicContact CD1-CE2 4Å; L281-F315 HydrophobicContact CD1-CZ 3.79Å; L281-F315 HydrophobicContact CG-CE2 4.25Å; L281-F315 HydrophobicContact CG-CZ 4.45Å |
| 282 | A | 92.7 | Very high | 95 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W161 C278 R279 T286 | W161-A282 HydrophobicContact CE3-CB 4.18Å; W161-A282 HydrophobicContact CH2-CB 4.07Å; W161-A282 HydrophobicContact CZ3-CB 3.48Å; W161-A282 VanDerWaalsContact CZ3-CB 3.48Å; C278-A282 PolarHBondContact O-N 3.5Å; R279-A282 PolarHBondContact O-N 3.47Å; R279-A282 VanDerWaalsContact O-N 3.13Å; A282-T286 WeakPolarHBondContact O-CB 3.47Å; A282-T286 PolarHBondContact O-N 2.93Å; A282-T286 PolarHBondContact O-OG1 3.15Å |
| 283 | D | 94.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 42.4 Ų | 42.4 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.7 | -66.5 | -23.9 | 0 | 0 | 0 | 110.4 | R279 L281 T286 A287 | R279-D283 VanDerWaalsContact O-CG 3.22Å; R279-D283 PolarHBondContact O-N 2.88Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.48Å; D283-T286 PolarHBondContact O-N 2.99Å; D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 3.42Å |
| 284 | Y | 96.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 43 Ų | 43 | 19% | 0.188 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.9 | 173.4 | -125 | 0 | 0 | 0 | 112.8 | A280 L281 T286 A287 N288 Q308 A311 N312 F315 | A280-Y284 WeakPolarHBondContact O-CB 3.41Å; A280-Y284 PolarHBondContact O-N 3.42Å; L281-Y284 HydrophobicContact CD1-CD1 4.47Å; L281-Y284 WeakPolarHBondContact O-CB 3.43Å; L281-Y284 PolarHBondContact O-N 3.3Å; Y284-T286 VanDerWaalsContact C-N 3.29Å; Y284-T286 PolarHBondContact O-N 3.34Å; Y284-A287 PolarHBondContact O-N 3.19Å; Y284-N288 VanDerWaalsContact CZ-ND2 3.32Å; Y284-N288 PolarHBondContact O-N 3.06Å; Y284-N288 PolarHBondContact O-ND2 2.92Å; Y284-Q308 HydrophobicContact CE2-CG 4.15Å; Y284-Q308 VanDerWaalsContact CE2-NE2 3.34Å; Y284-A311 HydrophobicContact CD2-CB 4.36Å; Y284-N312 HydrophobicContact CD2-CB 3.72Å; Y284-N312 HydrophobicContact CE2-CB 3.4Å; Y284-N312 VanDerWaalsContact CE2-CB 3.4Å; Y284-F315 HydrophobicContact CD1-CD1 4.34Å |
| 285 | E | 95.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -36.7 | 175 | -72.5 | 176.6 | 170 | 0 | 0 | 112.6 | Q165 L281 N288 R289 | Q165-E285 VanDerWaalsContact NE2-CD 3.3Å; Q165-E285 PolarHBondContact NE2-OE1 3.36Å; Q165-E285 PolarHBondContact NE2-OE2 2.77Å; L281-E285 HydrophobicContact CD1-CG 4.36Å; L281-E285 WeakPolarHBondContact O-CG 3.33Å; L281-E285 PolarHBondContact O-N 3.34Å; E285-N288 PolarHBondContact O-N 3.4Å; E285-R289 WeakPolarHBondContact O-CG 3.2Å; E285-R289 PolarHBondContact O-N 3.46Å; E285-R289 VanDerWaalsContact O-N 3.09Å |
| 286 | T | 96 | Very high | 95.7 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 34% | 0.337 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175 | -60.7 | 0 | 0 | 0 | 0 | 111 | A282 D283 Y284 N288 R289 N290 | A282-T286 WeakPolarHBondContact O-CB 3.47Å; A282-T286 PolarHBondContact O-N 2.93Å; A282-T286 PolarHBondContact O-OG1 3.15Å; D283-T286 PolarHBondContact O-N 2.99Å; Y284-T286 VanDerWaalsContact C-N 3.29Å; Y284-T286 PolarHBondContact O-N 3.34Å; T286-N288 VanDerWaalsContact C-N 3.35Å; T286-R289 PolarHBondContact O-N 3.32Å; T286-R289 PolarHBondContact OG1-NH2 3.11Å; T286-N290 VanDerWaalsContact O-CG 3.25Å; T286-N290 PolarHBondContact O-N 2.97Å; T286-N290 PolarHBondContact O-ND2 3.32Å |
| 287 | A | 97.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | D283 Y284 N290 L291 Q308 A311 | D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 3.42Å; Y284-A287 PolarHBondContact O-N 3.19Å; A287-N290 PolarHBondContact O-N 3.45Å; A287-L291 WeakPolarHBondContact O-CB 3.48Å; A287-L291 PolarHBondContact O-N 3.18Å; A287-Q308 HydrophobicContact CB-CB 4.05Å; A287-Q308 HydrophobicContact CB-CG 4.32Å; A287-A311 HydrophobicContact CB-CB 4.1Å |
| 288 | N | 97.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 67 Ų | 67 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -50.9 | 172 | -75.7 | -34.1 | 0 | 0 | 0 | 112 | Y284 E285 T286 N290 L291 D292 Q308 | Y284-N288 VanDerWaalsContact CZ-ND2 3.32Å; Y284-N288 PolarHBondContact O-N 3.06Å; Y284-N288 PolarHBondContact O-ND2 2.92Å; E285-N288 PolarHBondContact O-N 3.4Å; T286-N288 VanDerWaalsContact C-N 3.35Å; N288-N290 VanDerWaalsContact C-N 3.25Å; N288-N290 PolarHBondContact O-N 3.36Å; N288-L291 WeakPolarHBondContact O-CB 3.36Å; N288-L291 PolarHBondContact O-N 3.41Å; N288-D292 PolarHBondContact O-N 3.14Å; N288-Q308 WeakPolarHBondContact OD1-CG 3.41Å; N288-Q308 PolarHBondContact OD1-NE2 3.15Å |
| 289 | R | 97.2 | Very high | 95.9 | Very high | 124 Ų | 124 | 73.5 Ų | 73.5 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 177.7 | -70.5 | -176.8 | -68.9 | -102.7 | 2.6 | 112.7 | E285 T286 K293 | E285-R289 WeakPolarHBondContact O-CG 3.2Å; E285-R289 PolarHBondContact O-N 3.46Å; E285-R289 VanDerWaalsContact O-N 3.09Å; T286-R289 PolarHBondContact O-N 3.32Å; T286-R289 PolarHBondContact OG1-NH2 3.11Å; R289-K293 WeakPolarHBondContact O-CG 3.49Å; R289-K293 PolarHBondContact O-N 3.03Å |
| 290 | N | 97.2 | Very high | 96 | Very high | 79 Ų | 79 | 74.5 Ų | 74.5 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 178.3 | -71.1 | -17.6 | 0 | 0 | 0 | 111.6 | T286 A287 N288 K293 A294 | T286-N290 VanDerWaalsContact O-CG 3.25Å; T286-N290 PolarHBondContact O-N 2.97Å; T286-N290 PolarHBondContact O-ND2 3.32Å; A287-N290 PolarHBondContact O-N 3.45Å; N288-N290 VanDerWaalsContact C-N 3.25Å; N288-N290 PolarHBondContact O-N 3.36Å; N290-K293 PolarHBondContact O-N 3.16Å; N290-A294 WeakPolarHBondContact O-CB 3.43Å; N290-A294 PolarHBondContact O-N 3.36Å |
| 291 | L | 97.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 76.5 Ų | 76.5 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.1 | 179 | 56.1 | 0 | 0 | 0 | 111.8 | A287 N288 K293 A294 R295 A304 E305 Q308 | A287-L291 WeakPolarHBondContact O-CB 3.48Å; A287-L291 PolarHBondContact O-N 3.18Å; N288-L291 WeakPolarHBondContact O-CB 3.36Å; N288-L291 PolarHBondContact O-N 3.41Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.96Å; L291-A294 PolarHBondContact O-N 3.42Å; L291-R295 HydrophobicContact CD1-CG 4.18Å; L291-R295 WeakPolarHBondContact O-CB 3.37Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 2.75Å; L291-A304 HydrophobicContact CB-CB 4.35Å; L291-A304 HydrophobicContact CD1-CB 3.98Å; L291-E305 HydrophobicContact CD1-CB 3.94Å; L291-Q308 HydrophobicContact CD2-CB 4.05Å; L291-Q308 HydrophobicContact CD2-CG 4.01Å |
| 292 | D | 97.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 81.3 Ų | 81.3 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.1 | -68.2 | -27.2 | 0 | 0 | 0 | 112 | N288 R295 A296 | N288-D292 PolarHBondContact O-N 3.14Å; D292-R295 PolarHBondContact O-N 3.35Å; D292-A296 WeakPolarHBondContact O-CB 3.36Å; D292-A296 PolarHBondContact O-N 3.09Å |
| 293 | K | 97.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 85.8 Ų | 85.8 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.5 | -71.3 | 170 | -175.4 | 173.1 | 0 | 112.4 | R289 N290 L291 A296 R297 | R289-K293 WeakPolarHBondContact O-CG 3.49Å; R289-K293 PolarHBondContact O-N 3.03Å; N290-K293 PolarHBondContact O-N 3.16Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.96Å; K293-A296 PolarHBondContact O-N 3.28Å; K293-R297 WeakPolarHBondContact O-CB 3.46Å; K293-R297 VanDerWaalsContact O-CG 3.3Å; K293-R297 WeakPolarHBondContact O-CG 3.48Å; K293-R297 PolarHBondContact O-N 3.22Å |
| 294 | A | 96.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 83.1 Ų | 83.1 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N290 L291 R297 M298 K299 A304 | N290-A294 WeakPolarHBondContact O-CB 3.43Å; N290-A294 PolarHBondContact O-N 3.36Å; L291-A294 PolarHBondContact O-N 3.42Å; A294-R297 CarbonylContact O-C 3.32Å; A294-R297 PolarHBondContact O-N 2.95Å; A294-M298 PolarHBondContact O-N 2.9Å; A294-K299 WeakPolarHBondContact CA-O 3.25Å; A294-K299 WeakPolarHBondContact CB-O 3.43Å; A294-K299 PolarHBondContact O-N 3.44Å; A294-K299 VanDerWaalsContact O-N 3.15Å; A294-A304 HydrophobicContact CB-CB 3.68Å |
| 295 | R | 97 | Very high | 96.5 | Very high | 120 Ų | 120 | 84 Ų | 84 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.2 | -73.6 | 174.2 | 174.2 | 171 | -1.9 | 111.8 | L291 D292 R297 M298 V301 E305 | L291-R295 HydrophobicContact CD1-CG 4.18Å; L291-R295 WeakPolarHBondContact O-CB 3.37Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 2.75Å; D292-R295 PolarHBondContact O-N 3.35Å; R295-R297 VanDerWaalsContact C-N 3.27Å; R295-R297 PolarHBondContact O-N 3.42Å; R295-M298 PolarHBondContact O-N 2.92Å; R295-M298 VanDerWaalsContact O-N 3.17Å; R295-V301 HydrophobicContact CG-CG1 3.96Å; R295-E305 IonicContact NH2-OE1 2.63Å; R295-E305 PolarHBondContact NH2-OE1 2.85Å |
| 296 | A | 96.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 85.6 Ų | 85.6 | 72% | 0.719 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.5 | -30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | D292 K293 | D292-A296 WeakPolarHBondContact O-CB 3.36Å; D292-A296 PolarHBondContact O-N 3.09Å; K293-A296 PolarHBondContact O-N 3.28Å |
| 297 | R | 96 | Very high | 96.7 | Very high | 198 Ų | 198 | 85.5 Ų | 85.5 | 75% | 0.747 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -92.2 | -5.7 | 177.9 | -67.2 | 174.7 | -179.4 | -170 | -1.4 | 113.6 | K293 A294 R295 K299 | K293-R297 WeakPolarHBondContact O-CB 3.46Å; K293-R297 VanDerWaalsContact O-CG 3.3Å; K293-R297 WeakPolarHBondContact O-CG 3.48Å; K293-R297 PolarHBondContact O-N 3.22Å; A294-R297 CarbonylContact O-C 3.32Å; A294-R297 PolarHBondContact O-N 2.95Å; R295-R297 VanDerWaalsContact C-N 3.27Å; R295-R297 PolarHBondContact O-N 3.42Å; R297-K299 HydrophobicContact CB-CB 4.32Å; R297-K299 PolarHBondContact O-N 2.71Å; R297-K299 VanDerWaalsContact O-N 3.15Å |
| 298 | M | 93.7 | Very high | 96.7 | Very high | 173 Ų | 173 | 86.2 Ų | 86.2 | 85% | 0.852 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 34.2 | -171.8 | -57.4 | -179.4 | 176.5 | 0 | 0 | 113.1 | A294 R295 | A294-M298 PolarHBondContact O-N 2.9Å; R295-M298 PolarHBondContact O-N 2.92Å; R295-M298 VanDerWaalsContact O-N 3.17Å |
| 299 | K | 95.2 | Very high | 96.8 | Very high | 136 Ų | 136 | 86.8 Ų | 86.8 | 59% | 0.591 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -133.4 | 137 | -175 | -166.5 | -169.2 | 172.3 | -177 | 0 | 109.9 | A294 R297 V301 | A294-K299 WeakPolarHBondContact CA-O 3.25Å; A294-K299 WeakPolarHBondContact CB-O 3.43Å; A294-K299 PolarHBondContact O-N 3.44Å; A294-K299 VanDerWaalsContact O-N 3.15Å; R297-K299 HydrophobicContact CB-CB 4.32Å; R297-K299 PolarHBondContact O-N 2.71Å; R297-K299 VanDerWaalsContact O-N 3.15Å; K299-V301 PolarHBondContact O-N 3.22Å; K299-V301 VanDerWaalsContact O-N 3.13Å |
| 300 | D | 94.5 | Very high | 96.8 | Very high | 104 Ų | 104 | 83.5 Ų | 83.5 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 56 | 27.7 | 176.5 | -49.7 | -40.2 | 0 | 0 | 0 | 113.4 | Q302 T303 A304 | D300-Q302 PolarHBondContact O-N 2.98Å; D300-T303 PolarHBondContact O-N 3.49Å; D300-A304 PolarHBondContact O-N 2.92Å; D300-A304 VanDerWaalsContact O-N 3.08Å |
| 301 | V | 95.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 80.5 Ų | 80.5 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | -173.7 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | R295 K299 T303 A304 E305 | R295-V301 HydrophobicContact CG-CG1 3.96Å; K299-V301 PolarHBondContact O-N 3.22Å; K299-V301 VanDerWaalsContact O-N 3.13Å; V301-T303 PolarHBondContact O-N 3.42Å; V301-A304 PolarHBondContact O-N 3.43Å; V301-E305 WeakPolarHBondContact O-CB 3.38Å; V301-E305 PolarHBondContact O-N 2.88Å |
| 302 | Q | 95.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 81.6 Ų | 81.6 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | -179.1 | -171.7 | 62.2 | 50.3 | 0 | 0 | 111.5 | D300 A304 E305 D306 | D300-Q302 PolarHBondContact O-N 2.98Å; Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.26Å; Q302-E305 WeakPolarHBondContact O-CB 3.48Å; Q302-E305 PolarHBondContact O-N 3.46Å; Q302-E305 VanDerWaalsContact O-N 3.1Å; Q302-D306 PolarHBondContact NE2-OD1 3.12Å; Q302-D306 VanDerWaalsContact O-CG 3.22Å; Q302-D306 PolarHBondContact O-N 3.09Å |
| 303 | T | 96.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 82.9 Ų | 82.9 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 178.8 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | D300 V301 E305 A307 | D300-T303 PolarHBondContact O-N 3.49Å; V301-T303 PolarHBondContact O-N 3.42Å; T303-E305 VanDerWaalsContact C-N 3.33Å; T303-A307 WeakPolarHBondContact O-CB 3.33Å; T303-A307 PolarHBondContact O-N 3.05Å; T303-A307 VanDerWaalsContact O-N 3.14Å |
| 304 | A | 96.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 81.7 Ų | 81.7 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L291 A294 D300 V301 Q302 Q308 | L291-A304 HydrophobicContact CB-CB 4.35Å; L291-A304 HydrophobicContact CD1-CB 3.98Å; A294-A304 HydrophobicContact CB-CB 3.68Å; D300-A304 PolarHBondContact O-N 2.92Å; D300-A304 VanDerWaalsContact O-N 3.08Å; V301-A304 PolarHBondContact O-N 3.43Å; Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.26Å; A304-Q308 WeakPolarHBondContact O-CB 3.48Å; A304-Q308 PolarHBondContact O-N 3.05Å |
| 305 | E | 97.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 82.6 Ų | 82.6 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 177.6 | -171.8 | 155.9 | -126.4 | 0 | 0 | 111.6 | L291 R295 V301 Q302 T303 A307 Q308 T309 | L291-E305 HydrophobicContact CD1-CB 3.94Å; R295-E305 IonicContact NH2-OE1 2.63Å; R295-E305 PolarHBondContact NH2-OE1 2.85Å; V301-E305 WeakPolarHBondContact O-CB 3.38Å; V301-E305 PolarHBondContact O-N 2.88Å; Q302-E305 WeakPolarHBondContact O-CB 3.48Å; Q302-E305 PolarHBondContact O-N 3.46Å; Q302-E305 VanDerWaalsContact O-N 3.1Å; T303-E305 VanDerWaalsContact C-N 3.33Å; E305-A307 VanDerWaalsContact C-N 3.35Å; E305-A307 PolarHBondContact O-N 3.37Å; E305-Q308 PolarHBondContact O-N 3.16Å; E305-T309 WeakPolarHBondContact O-CB 3.37Å; E305-T309 PolarHBondContact O-N 2.72Å; E305-T309 PolarHBondContact O-OG1 3.29Å |
| 306 | D | 98.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 82.1 Ų | 82.1 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 174.9 | -60.9 | -21 | 0 | 0 | 0 | 110.8 | Q302 T309 A310 | Q302-D306 PolarHBondContact NE2-OD1 3.12Å; Q302-D306 VanDerWaalsContact O-CG 3.22Å; Q302-D306 PolarHBondContact O-N 3.09Å; D306-T309 PolarHBondContact O-N 3.13Å; D306-A310 WeakPolarHBondContact O-CB 3.22Å; D306-A310 PolarHBondContact O-N 3.42Å |
| 307 | A | 97.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 81.4 Ų | 81.4 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T303 E305 A311 | T303-A307 WeakPolarHBondContact O-CB 3.33Å; T303-A307 PolarHBondContact O-N 3.05Å; T303-A307 VanDerWaalsContact O-N 3.14Å; E305-A307 VanDerWaalsContact C-N 3.35Å; E305-A307 PolarHBondContact O-N 3.37Å; A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 3.49Å |
| 308 | Q | 98.2 | Very high | 97 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.1 | -174.2 | -84.6 | 6.8 | 0 | 0 | 111.3 | Y284 A287 N288 L291 A304 E305 A311 N312 | Y284-Q308 HydrophobicContact CE2-CG 4.15Å; Y284-Q308 VanDerWaalsContact CE2-NE2 3.34Å; A287-Q308 HydrophobicContact CB-CB 4.05Å; A287-Q308 HydrophobicContact CB-CG 4.32Å; N288-Q308 WeakPolarHBondContact OD1-CG 3.41Å; N288-Q308 PolarHBondContact OD1-NE2 3.15Å; L291-Q308 HydrophobicContact CD2-CB 4.05Å; L291-Q308 HydrophobicContact CD2-CG 4.01Å; A304-Q308 WeakPolarHBondContact O-CB 3.48Å; A304-Q308 PolarHBondContact O-N 3.05Å; E305-Q308 PolarHBondContact O-N 3.16Å; Q308-A311 PolarHBondContact O-N 3.37Å; Q308-N312 WeakPolarHBondContact O-CB 3.47Å; Q308-N312 PolarHBondContact O-N 3.31Å |
| 309 | T | 98.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | E305 D306 A311 N312 E313 | E305-T309 WeakPolarHBondContact O-CB 3.37Å; E305-T309 PolarHBondContact O-N 2.72Å; E305-T309 PolarHBondContact O-OG1 3.29Å; D306-T309 PolarHBondContact O-N 3.13Å; T309-A311 PolarHBondContact O-N 2.92Å; T309-N312 WeakPolarHBondContact O-CB 3.45Å; T309-N312 PolarHBondContact O-N 3.23Å; T309-E313 WeakPolarHBondContact O-CG 3.49Å; T309-E313 PolarHBondContact O-N 2.72Å |
| 310 | A | 98 | Very high | 97.3 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D306 N312 R314 | D306-A310 WeakPolarHBondContact O-CB 3.22Å; D306-A310 PolarHBondContact O-N 3.42Å; A310-N312 VanDerWaalsContact C-N 3.35Å; A310-R314 WeakPolarHBondContact O-CB 3.44Å; A310-R314 PolarHBondContact O-N 3Å |
| 311 | A | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y284 A287 A307 Q308 T309 F315 | Y284-A311 HydrophobicContact CD2-CB 4.36Å; A287-A311 HydrophobicContact CB-CB 4.1Å; A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 3.49Å; Q308-A311 PolarHBondContact O-N 3.37Å; T309-A311 PolarHBondContact O-N 2.92Å; A311-F315 WeakPolarHBondContact O-CB 3.31Å; A311-F315 PolarHBondContact O-N 3.04Å |
| 312 | N | 98 | Very high | 97.5 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 176 | -168.9 | 21.8 | 0 | 0 | 0 | 111.8 | Y284 Q308 T309 A310 R314 F315 K316 | Y284-N312 HydrophobicContact CD2-CB 3.72Å; Y284-N312 HydrophobicContact CE2-CB 3.4Å; Y284-N312 VanDerWaalsContact CE2-CB 3.4Å; Q308-N312 WeakPolarHBondContact O-CB 3.47Å; Q308-N312 PolarHBondContact O-N 3.31Å; T309-N312 WeakPolarHBondContact O-CB 3.45Å; T309-N312 PolarHBondContact O-N 3.23Å; A310-N312 VanDerWaalsContact C-N 3.35Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 2.93Å; N312-F315 PolarHBondContact O-N 2.99Å; N312-K316 WeakPolarHBondContact O-CB 3.48Å; N312-K316 WeakPolarHBondContact O-CG 3.28Å; N312-K316 PolarHBondContact O-N 3.03Å; N312-K316 WeakPolarHBondContact OD1-CE 3.49Å |
| 313 | E | 97.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 58.4 Ų | 58.4 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 179.2 | -73.3 | 177.1 | 174.6 | 0 | 0 | 111.4 | T309 K316 S317 | T309-E313 WeakPolarHBondContact O-CG 3.49Å; T309-E313 PolarHBondContact O-N 2.72Å; E313-K316 PolarHBondContact O-N 3.24Å; E313-S317 WeakPolarHBondContact O-CB 3.34Å; E313-S317 PolarHBondContact O-N 3.48Å |
| 314 | R | 97.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 173.5 | 178.9 | -166.9 | 175.7 | 82.2 | 7.2 | 111.9 | D45 A310 N312 K316 S317 I318 | D45-R314 IonicContact OD1-CZ 3.61Å; D45-R314 IonicContact OD1-NH1 2.63Å; D45-R314 PolarHBondContact OD1-NH1 3.44Å; D45-R314 IonicContact OD1-NH2 3.88Å; D45-R314 PolarHBondContact OD1-NH2 3.06Å; D45-R314 IonicContact OD2-CZ 3.65Å; D45-R314 IonicContact OD2-NH1 2.61Å; D45-R314 PolarHBondContact OD2-NH1 3.38Å; D45-R314 IonicContact OD2-NH2 3.12Å; A310-R314 WeakPolarHBondContact O-CB 3.44Å; A310-R314 PolarHBondContact O-N 3Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 2.93Å; R314-K316 VanDerWaalsContact C-N 3.33Å; R314-K316 PolarHBondContact O-N 3.06Å; R314-S317 PolarHBondContact O-N 3.45Å; R314-I318 HydrophobicContact CG-CD1 3.94Å; R314-I318 WeakPolarHBondContact O-CG1 3.46Å; R314-I318 PolarHBondContact O-N 3.49Å |
| 315 | F | 97.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 179.6 | 168 | -111.3 | 0 | 0 | 0 | 112.2 | R277 A280 L281 Y284 A311 N312 S319 | R277-F315 HydrophobicContact CG-CD2 4.46Å; R277-F315 HydrophobicContact CG-CE2 4.08Å; A280-F315 HydrophobicContact CB-CB 4.3Å; A280-F315 HydrophobicContact CB-CD2 4.29Å; L281-F315 HydrophobicContact CB-CD2 3.87Å; L281-F315 HydrophobicContact CB-CE2 3.63Å; L281-F315 HydrophobicContact CB-CZ 4.3Å; L281-F315 HydrophobicContact CD1-CD2 4.47Å; L281-F315 HydrophobicContact CD1-CE1 4.09Å; L281-F315 HydrophobicContact CD1-CE2 4Å; L281-F315 HydrophobicContact CD1-CZ 3.79Å; L281-F315 HydrophobicContact CG-CE2 4.25Å; L281-F315 HydrophobicContact CG-CZ 4.45Å; Y284-F315 HydrophobicContact CD1-CD1 4.34Å; A311-F315 WeakPolarHBondContact O-CB 3.31Å; A311-F315 PolarHBondContact O-N 3.04Å; N312-F315 PolarHBondContact O-N 2.99Å; F315-S319 WeakPolarHBondContact CE2-OG 3.47Å; F315-S319 WeakPolarHBondContact O-CB 3.37Å; F315-S319 PolarHBondContact O-N 2.91Å; F315-S319 PolarHBondContact O-OG 3.46Å |
| 316 | K | 97.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 176.1 | -75.1 | 177.4 | 177.1 | 179.4 | 0 | 111.8 | N312 E313 R314 I318 S319 E320 | N312-K316 WeakPolarHBondContact O-CB 3.48Å; N312-K316 WeakPolarHBondContact O-CG 3.28Å; N312-K316 PolarHBondContact O-N 3.03Å; N312-K316 WeakPolarHBondContact OD1-CE 3.49Å; E313-K316 PolarHBondContact O-N 3.24Å; R314-K316 VanDerWaalsContact C-N 3.33Å; R314-K316 PolarHBondContact O-N 3.06Å; K316-I318 VanDerWaalsContact C-N 3.35Å; K316-I318 PolarHBondContact O-N 3.28Å; K316-S319 WeakPolarHBondContact O-CB 3.33Å; K316-S319 PolarHBondContact O-N 3.42Å; K316-E320 WeakPolarHBondContact O-CG 3.36Å; K316-E320 PolarHBondContact O-N 2.97Å |
| 317 | S | 97.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 56 Ų | 56 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | E313 R314 S319 S321 | E313-S317 WeakPolarHBondContact O-CB 3.34Å; E313-S317 PolarHBondContact O-N 3.48Å; R314-S317 PolarHBondContact O-N 3.45Å; S317-S319 VanDerWaalsContact C-N 3.34Å; S317-S319 PolarHBondContact O-N 3.48Å; S317-S321 PolarHBondContact O-N 3.34Å; S317-S321 VanDerWaalsContact O-N 3.17Å; S317-S321 PolarHBondContact O-OG 2.97Å |
| 318 | I | 97.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.2 | -67.5 | 170.4 | 0 | 0 | 0 | 110.6 | A48 R277 A280 R314 K316 S321 A322 | A48-I318 HydrophobicContact CB-CD1 3.61Å; A48-I318 HydrophobicContact CB-CG1 3.82Å; R277-I318 HydrophobicContact CB-CG2 3.79Å; R277-I318 HydrophobicContact CG-CG2 4.07Å; A280-I318 HydrophobicContact CB-CD1 3.79Å; R314-I318 HydrophobicContact CG-CD1 3.94Å; R314-I318 WeakPolarHBondContact O-CG1 3.46Å; R314-I318 PolarHBondContact O-N 3.49Å; K316-I318 VanDerWaalsContact C-N 3.35Å; K316-I318 PolarHBondContact O-N 3.28Å; I318-S321 PolarHBondContact O-OG 3.44Å; I318-A322 WeakPolarHBondContact O-CA 3.49Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 2.95Å |
| 319 | S | 97.7 | Very high | 97.5 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | -179.3 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | F172 R277 F315 K316 S317 K323 | F172-S319 WeakPolarHBondContact CZ-O 3.16Å; R277-S319 PolarHBondContact NE-OG 2.93Å; F315-S319 WeakPolarHBondContact CE2-OG 3.47Å; F315-S319 WeakPolarHBondContact O-CB 3.37Å; F315-S319 PolarHBondContact O-N 2.91Å; F315-S319 PolarHBondContact O-OG 3.46Å; K316-S319 WeakPolarHBondContact O-CB 3.33Å; K316-S319 PolarHBondContact O-N 3.42Å; S317-S319 VanDerWaalsContact C-N 3.34Å; S317-S319 PolarHBondContact O-N 3.48Å; S319-K323 PolarHBondContact O-N 3.35Å; S319-K323 VanDerWaalsContact O-N 3.09Å |
| 320 | E | 97.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 55.3 Ų | 55.3 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -50.2 | 178.7 | -72.9 | 173.9 | -176.3 | 0 | 0 | 111.5 | K316 K323 L324 | K316-E320 WeakPolarHBondContact O-CG 3.36Å; K316-E320 PolarHBondContact O-N 2.97Å; E320-K323 PolarHBondContact O-N 3.14Å; E320-L324 PolarHBondContact O-N 2.99Å |
| 321 | S | 97.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | G49 S317 I318 K323 L324 E325 | G49-S321 WeakPolarHBondContact CA-OG 3.3Å; G49-S321 CarbonylContact O-C 3.55Å; G49-S321 VanDerWaalsContact O-C 3.32Å; S317-S321 PolarHBondContact O-N 3.34Å; S317-S321 VanDerWaalsContact O-N 3.17Å; S317-S321 PolarHBondContact O-OG 2.97Å; I318-S321 PolarHBondContact O-OG 3.44Å; S321-K323 VanDerWaalsContact C-N 3.32Å; S321-K323 PolarHBondContact O-N 3.35Å; S321-L324 PolarHBondContact O-N 2.92Å; S321-E325 WeakPolarHBondContact O-CB 3.07Å; S321-E325 PolarHBondContact O-N 2.88Å |
| 322 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G49 F172 L273 I318 E325 L326 | G49-A322 VanDerWaalsContact O-CA 3.31Å; G49-A322 WeakPolarHBondContact O-CA 3.29Å; G49-A322 PolarHBondContact O-N 3.21Å; F172-A322 HydrophobicContact CE1-CB 3.91Å; F172-A322 HydrophobicContact CZ-CB 4.14Å; L273-A322 HydrophobicContact CD1-CB 4.29Å; L273-A322 HydrophobicContact CD2-CB 3.51Å; L273-A322 HydrophobicContact CG-CB 4.13Å; I318-A322 WeakPolarHBondContact O-CA 3.49Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 2.95Å; A322-E325 PolarHBondContact O-N 3.05Å; A322-L326 WeakPolarHBondContact O-CB 3.41Å; A322-L326 VanDerWaalsContact O-CD1 3.3Å; A322-L326 WeakPolarHBondContact O-CD1 3.35Å; A322-L326 WeakPolarHBondContact O-CG 3.4Å; A322-L326 PolarHBondContact O-N 3.33Å |
| 323 | K | 97.7 | Very high | 97.1 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 180 | -175.2 | 169.8 | -176.3 | 178.4 | 0 | 111.6 | F171 F172 S319 E320 S321 E325 L326 E327 | F171-K323 HydrophobicContact CD1-CD 4.44Å; F171-K323 HydrophobicContact CD1-CG 4.23Å; F171-K323 HydrophobicContact CE1-CB 4.11Å; F171-K323 HydrophobicContact CE1-CD 4.47Å; F171-K323 HydrophobicContact CE1-CG 3.78Å; F171-K323 HydrophobicContact CE2-CG 4.23Å; F171-K323 HydrophobicContact CZ-CB 4.45Å; F171-K323 HydrophobicContact CZ-CG 3.78Å; F172-K323 HydrophobicContact CZ-CB 4.29Å; S319-K323 PolarHBondContact O-N 3.35Å; S319-K323 VanDerWaalsContact O-N 3.09Å; E320-K323 PolarHBondContact O-N 3.14Å; S321-K323 VanDerWaalsContact C-N 3.32Å; S321-K323 PolarHBondContact O-N 3.35Å; K323-E325 VanDerWaalsContact C-N 3.34Å; K323-E325 PolarHBondContact O-N 2.92Å; K323-L326 PolarHBondContact O-N 3.47Å; K323-E327 WeakPolarHBondContact O-CG 3.28Å; K323-E327 PolarHBondContact O-N 2.86Å; K323-E327 VanDerWaalsContact O-N 3.13Å |
| 324 | L | 97.2 | Very high | 97.1 | Very high | 121 Ų | 121 | 59 Ų | 59 | 63% | 0.634 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 177.8 | -64.6 | 174.7 | 0 | 0 | 0 | 111.6 | E320 S321 E327 D328 | E320-L324 PolarHBondContact O-N 2.99Å; S321-L324 PolarHBondContact O-N 2.92Å; L324-E327 PolarHBondContact O-N 3.45Å; L324-D328 PolarHBondContact O-N 3.48Å |
| 325 | E | 97.7 | Very high | 97 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -36.2 | -177 | -169.3 | 64.6 | -151.1 | 0 | 0 | 112.7 | I51 H115 L273 S321 A322 K323 E327 D328 F329 R332 | I51-E325 HydrophobicContact CB-CG 3.74Å; I51-E325 HydrophobicContact CD1-CG 3.83Å; I51-E325 HydrophobicContact CG1-CG 3.51Å; I51-E325 VanDerWaalsContact N-CG 3.34Å; H115-E325 IonicContact CD2-OE2 2.92Å; H115-E325 IonicContact NE2-OE2 3.82Å; H115-E325 PolarHBondContact NE2-OE2 3.33Å; L273-E325 HydrophobicContact CD1-CB 4.15Å; L273-E325 HydrophobicContact CD1-CG 4.16Å; S321-E325 WeakPolarHBondContact O-CB 3.07Å; S321-E325 PolarHBondContact O-N 2.88Å; A322-E325 PolarHBondContact O-N 3.05Å; K323-E325 VanDerWaalsContact C-N 3.34Å; K323-E325 PolarHBondContact O-N 2.92Å; E325-E327 VanDerWaalsContact C-N 3.35Å; E325-D328 PolarHBondContact O-N 3.15Å; E325-F329 VanDerWaalsContact O-CB 3.3Å; E325-F329 WeakPolarHBondContact O-CB 3.43Å; E325-F329 PolarHBondContact O-N 3.22Å; E325-R332 IonicContact OE1-CZ 3.17Å; E325-R332 IonicContact OE1-NH1 3.39Å; E325-R332 IonicContact OE1-NH2 2.7Å; E325-R332 PolarHBondContact OE1-NH2 3.13Å |
| 326 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -36 | 174.8 | -73.5 | 162.2 | 0 | 0 | 0 | 111.7 | I51 F171 F172 E175 L179 A270 L273 L274 A322 K323 K330 | I51-L326 HydrophobicContact CD1-CD2 4.43Å; F171-L326 HydrophobicContact CE1-CD1 4.17Å; F171-L326 HydrophobicContact CZ-CB 4.36Å; F172-L326 HydrophobicContact CD1-CD1 4.41Å; F172-L326 HydrophobicContact CE1-CD1 4.03Å; E175-L326 HydrophobicContact CG-CD1 4.08Å; E175-L326 HydrophobicContact CG-CD2 4.17Å; L179-L326 HydrophobicContact CD1-CD2 3.64Å; A270-L326 HydrophobicContact CB-CD2 4.4Å; L273-L326 HydrophobicContact CD2-CD1 3.85Å; L273-L326 HydrophobicContact CD2-CD2 4.43Å; L273-L326 HydrophobicContact CD2-CG 4.13Å; L274-L326 HydrophobicContact CD2-CD1 3.88Å; A322-L326 WeakPolarHBondContact O-CB 3.41Å; A322-L326 VanDerWaalsContact O-CD1 3.3Å; A322-L326 WeakPolarHBondContact O-CD1 3.35Å; A322-L326 WeakPolarHBondContact O-CG 3.4Å; A322-L326 PolarHBondContact O-N 3.33Å; K323-L326 PolarHBondContact O-N 3.47Å; L326-K330 WeakPolarHBondContact O-CG 3.29Å; L326-K330 PolarHBondContact O-N 3.43Å |
| 327 | E | 96.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 41% | 0.407 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 172.4 | -72.6 | 175 | -178.5 | 0 | 0 | 111.5 | K323 L324 E325 F329 K330 V331 | K323-E327 WeakPolarHBondContact O-CG 3.28Å; K323-E327 PolarHBondContact O-N 2.86Å; K323-E327 VanDerWaalsContact O-N 3.13Å; L324-E327 PolarHBondContact O-N 3.45Å; E325-E327 VanDerWaalsContact C-N 3.35Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 2.93Å; E327-K330 WeakPolarHBondContact O-CB 3.42Å; E327-K330 PolarHBondContact O-N 2.87Å; E327-V331 PolarHBondContact O-N 2.81Å |
| 328 | D | 96.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.2 | -173.2 | 58.5 | 0 | 0 | 0 | 112.1 | L324 E325 K330 V331 R332 | L324-D328 PolarHBondContact O-N 3.48Å; E325-D328 PolarHBondContact O-N 3.15Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 2.9Å; D328-V331 PolarHBondContact O-N 3.46Å; D328-R332 WeakPolarHBondContact O-CB 3.46Å; D328-R332 PolarHBondContact O-N 3.08Å; D328-R332 IonicContact OD2-CZ 3.95Å; D328-R332 IonicContact OD2-NE 2.84Å; D328-R332 PolarHBondContact OD2-NE 2.94Å; D328-R332 IonicContact OD2-NH1 2.76Å; D328-R332 PolarHBondContact OD2-NH1 3.19Å; D328-R332 IonicContact OD2-NH2 3.25Å; D328-R332 PolarHBondContact OD2-NH2 3.05Å |
| 329 | F | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 172.7 | 171.3 | -100.3 | 0 | 0 | 0 | 112.2 | I51 L179 Y182 Y263 D266 A270 E325 E327 V331 R332 R333 | I51-F329 HydrophobicContact CD1-CB 3.72Å; I51-F329 HydrophobicContact CD1-CD2 4.18Å; I51-F329 HydrophobicContact CD1-CG 4.03Å; L179-F329 HydrophobicContact CD2-CD1 4.44Å; L179-F329 HydrophobicContact CD2-CE1 3.81Å; Y182-F329 HydrophobicContact CE1-CZ 4.28Å; Y263-F329 HydrophobicContact CD1-CE2 4.32Å; Y263-F329 HydrophobicContact CE1-CE2 4.35Å; D266-F329 HydrophobicContact CB-CE2 4.3Å; D266-F329 WeakPolarHBondContact OD2-CE2 3.48Å; A270-F329 HydrophobicContact CB-CD1 4.49Å; A270-F329 HydrophobicContact CB-CE1 4.37Å; A270-F329 HydrophobicContact CB-CE2 4.42Å; A270-F329 HydrophobicContact CB-CZ 4.33Å; E325-F329 VanDerWaalsContact O-CB 3.3Å; E325-F329 WeakPolarHBondContact O-CB 3.43Å; E325-F329 PolarHBondContact O-N 3.22Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 2.93Å; F329-V331 PolarHBondContact O-N 3.48Å; F329-R332 PolarHBondContact O-N 3.11Å; F329-R333 WeakPolarHBondContact O-CB 3.36Å; F329-R333 PolarHBondContact O-N 3.04Å |
| 330 | K | 96.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 177.3 | -70.5 | 171.1 | -174.3 | 176.8 | 0 | 111.5 | E175 L326 E327 D328 R333 I334 | E175-K330 VanDerWaalsContact CD-CE 3.42Å; E175-K330 WeakPolarHBondContact OE1-CE 3.41Å; E175-K330 IonicContact OE1-NZ 2.86Å; E175-K330 WeakPolarHBondContact OE2-CE 3.48Å; E175-K330 IonicContact OE2-NZ 3.77Å; E175-K330 PolarHBondContact OE2-NZ 3.1Å; L326-K330 WeakPolarHBondContact O-CG 3.29Å; L326-K330 PolarHBondContact O-N 3.43Å; E327-K330 WeakPolarHBondContact O-CB 3.42Å; E327-K330 PolarHBondContact O-N 2.87Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 2.9Å; K330-R333 PolarHBondContact O-N 2.94Å; K330-I334 VanDerWaalsContact O-CG1 3.29Å; K330-I334 WeakPolarHBondContact O-CG1 3.47Å; K330-I334 PolarHBondContact O-N 3.32Å |
| 331 | V | 96.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 58% | 0.582 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.2 | -49.6 | 180 | 175.5 | 0 | 0 | 0 | 0 | 111 | E327 D328 F329 R333 I334 K335 | E327-V331 PolarHBondContact O-N 2.81Å; D328-V331 PolarHBondContact O-N 3.46Å; F329-V331 PolarHBondContact O-N 3.48Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 3.45Å; V331-I334 PolarHBondContact O-N 2.96Å; V331-K335 WeakPolarHBondContact O-CB 3.36Å; V331-K335 PolarHBondContact O-N 3.12Å |
| 332 | R | 95.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.9 | -48.7 | 175.3 | -86 | -172.4 | -61.6 | -133.5 | 3 | 111.5 | Y263 E325 D328 F329 K335 Y336 | Y263-R332 PolarHBondContact OH-O 2.91Å; E325-R332 IonicContact OE1-CZ 3.17Å; E325-R332 IonicContact OE1-NH1 3.39Å; E325-R332 IonicContact OE1-NH2 2.7Å; E325-R332 PolarHBondContact OE1-NH2 3.13Å; D328-R332 WeakPolarHBondContact O-CB 3.46Å; D328-R332 PolarHBondContact O-N 3.08Å; D328-R332 IonicContact OD2-CZ 3.95Å; D328-R332 IonicContact OD2-NE 2.84Å; D328-R332 PolarHBondContact OD2-NE 2.94Å; D328-R332 IonicContact OD2-NH1 2.76Å; D328-R332 PolarHBondContact OD2-NH1 3.19Å; D328-R332 IonicContact OD2-NH2 3.25Å; D328-R332 PolarHBondContact OD2-NH2 3.05Å; F329-R332 PolarHBondContact O-N 3.11Å; R332-K335 PolarHBondContact O-N 3.01Å; R332-Y336 WeakPolarHBondContact O-CB 3.26Å; R332-Y336 PolarHBondContact O-N 3.43Å |
| 333 | R | 95.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 18% | 0.177 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54 | -56.5 | 178.1 | -179.3 | -169.3 | 63.2 | 179.6 | 1.9 | 111.3 | Y182 Y263 F329 K330 V331 K335 Y336 F337 | Y182-R333 WeakPolarHBondContact OH-CD 3.43Å; Y263-R333 HydrophobicContact CD1-CB 4.27Å; Y263-R333 HydrophobicContact CD1-CG 3.98Å; Y263-R333 HydrophobicContact CE1-CB 3.65Å; Y263-R333 HydrophobicContact CE1-CG 3.82Å; Y263-R333 VanDerWaalsContact OH-CA 3.32Å; Y263-R333 WeakPolarHBondContact OH-CA 3.3Å; F329-R333 WeakPolarHBondContact O-CB 3.36Å; F329-R333 PolarHBondContact O-N 3.04Å; K330-R333 PolarHBondContact O-N 2.94Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 3.45Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.32Å; R333-Y336 PolarHBondContact O-N 3.24Å; R333-F337 HydrophobicContact CG-CD2 3.69Å; R333-F337 HydrophobicContact CG-CE2 3.73Å; R333-F337 VanDerWaalsContact O-CD2 3.31Å; R333-F337 WeakPolarHBondContact O-CD2 3.33Å; R333-F337 PolarHBondContact O-N 3.48Å |
| 334 | I | 96.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 55% | 0.554 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.3 | -46.1 | -177.5 | -68.6 | 166.1 | 0 | 0 | 0 | 110.5 | K330 V331 Y336 H338 | K330-I334 VanDerWaalsContact O-CG1 3.29Å; K330-I334 WeakPolarHBondContact O-CG1 3.47Å; K330-I334 PolarHBondContact O-N 3.32Å; V331-I334 PolarHBondContact O-N 2.96Å; I334-Y336 PolarHBondContact O-N 3.35Å; I334-H338 WeakPolarHBondContact O-CB 3.36Å; I334-H338 PolarHBondContact O-N 2.65Å |
| 335 | K | 96.3 | Very high | 96.8 | Very high | 164 Ų | 164 | 62.9 Ų | 62.9 | 71% | 0.713 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59 | -44.8 | 179.2 | -176.7 | 180 | 179.8 | 180 | 0 | 112.3 | V331 R332 R333 K339 | V331-K335 WeakPolarHBondContact O-CB 3.36Å; V331-K335 PolarHBondContact O-N 3.12Å; R332-K335 PolarHBondContact O-N 3.01Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.32Å; K335-K339 PolarHBondContact O-N 3.31Å; K335-K339 VanDerWaalsContact O-N 3.1Å |
| 336 | Y | 93.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.8 | -42 | -176.2 | -161.3 | -91.3 | 0 | 0 | 0 | 112.5 | T259 Y263 R332 R333 I334 K339 N340 | T259-Y336 HydrophobicContact CG2-CD1 4.03Å; T259-Y336 HydrophobicContact CG2-CE1 4.24Å; Y263-Y336 HydrophobicContact CD2-CD1 4.43Å; Y263-Y336 AromaticContact CE2-CD1 3.58Å; Y263-Y336 HydrophobicContact CE2-CD1 3.58Å; Y263-Y336 HydrophobicContact CE2-CE1 4.42Å; Y263-Y336 AromaticContact CE2-CG 3.95Å; Y263-Y336 HydrophobicContact CE2-CG 3.95Å; Y263-Y336 VanDerWaalsContact OH-CB 3.27Å; Y263-Y336 WeakPolarHBondContact OH-CB 3.5Å; R332-Y336 WeakPolarHBondContact O-CB 3.26Å; R332-Y336 PolarHBondContact O-N 3.43Å; R333-Y336 PolarHBondContact O-N 3.24Å; I334-Y336 PolarHBondContact O-N 3.35Å; Y336-K339 PolarHBondContact O-N 2.76Å; Y336-N340 WeakPolarHBondContact CD1-ND2 3.38Å; Y336-N340 WeakPolarHBondContact CE1-ND2 3.33Å; Y336-N340 PolarHBondContact O-N 2.78Å; Y336-N340 PolarHBondContact O-ND2 3.48Å |
| 337 | F | 96.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 173.1 | -89 | -95.9 | 0 | 0 | 0 | 111.3 | Y182 I186 T259 F260 Y263 R333 K339 N340 L341 | Y182-F337 VanDerWaalsContact OH-CE2 3.23Å; Y182-F337 WeakPolarHBondContact OH-CE2 3.1Å; Y182-F337 WeakPolarHBondContact OH-CZ 3.49Å; I186-F337 HydrophobicContact CD1-CE1 4.17Å; I186-F337 HydrophobicContact CD1-CZ 3.67Å; T259-F337 HydrophobicContact CG2-CD1 4.14Å; T259-F337 HydrophobicContact CG2-CD2 4.35Å; T259-F337 HydrophobicContact CG2-CE1 4.11Å; T259-F337 HydrophobicContact CG2-CE2 4.33Å; T259-F337 HydrophobicContact CG2-CG 4.27Å; T259-F337 HydrophobicContact CG2-CZ 4.2Å; F260-F337 AromaticContact CD1-CE1 3.78Å; F260-F337 HydrophobicContact CD1-CE1 3.78Å; F260-F337 HydrophobicContact CD1-CZ 4.25Å; F260-F337 HydrophobicContact CE1-CD1 4.44Å; F260-F337 AromaticContact CE1-CE1 3.67Å; F260-F337 HydrophobicContact CE1-CE1 3.67Å; Y263-F337 HydrophobicContact CD1-CE2 4.14Å; Y263-F337 AromaticContact CD2-CD2 3.83Å; Y263-F337 HydrophobicContact CD2-CD2 3.83Å; Y263-F337 AromaticContact CD2-CE2 3.22Å; Y263-F337 HydrophobicContact CD2-CE2 3.22Å; Y263-F337 AromaticContact CD2-CZ 3.99Å; Y263-F337 HydrophobicContact CD2-CZ 3.99Å; Y263-F337 AromaticContact CE2-CD2 3.92Å; Y263-F337 HydrophobicContact CE2-CD2 3.92Å; Y263-F337 AromaticContact CE2-CE2 3.79Å; Y263-F337 HydrophobicContact CE2-CE2 3.79Å; Y263-F337 HydrophobicContact CG-CD2 4.35Å; Y263-F337 AromaticContact CG-CE2 3.44Å; Y263-F337 HydrophobicContact CG-CE2 3.44Å; Y263-F337 VanDerWaalsContact CG-CE2 3.44Å; Y263-F337 HydrophobicContact CG-CZ 4.15Å; R333-F337 HydrophobicContact CG-CD2 3.69Å; R333-F337 HydrophobicContact CG-CE2 3.73Å; R333-F337 VanDerWaalsContact O-CD2 3.31Å; R333-F337 WeakPolarHBondContact O-CD2 3.33Å; R333-F337 PolarHBondContact O-N 3.48Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.47Å; F337-N340 PolarHBondContact O-N 2.93Å; F337-L341 HydrophobicContact CD1-CD1 4.5Å; F337-L341 WeakPolarHBondContact O-CB 3.43Å; F337-L341 VanDerWaalsContact O-CG 3.25Å; F337-L341 WeakPolarHBondContact O-CG 3.44Å; F337-L341 PolarHBondContact O-N 3.48Å |
| 338 | H | 97.9 | Very high | 96.7 | Very high | 129 Ų | 129 | 69.9 Ų | 69.9 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -54.8 | -51.4 | 178.2 | 176.9 | -89.5 | 0 | 0 | 0 | 111.1 | I334 N340 V342 | I334-H338 WeakPolarHBondContact O-CB 3.36Å; I334-H338 PolarHBondContact O-N 2.65Å; H338-N340 PolarHBondContact O-N 3.22Å; H338-V342 WeakPolarHBondContact O-CB 3.36Å; H338-V342 VanDerWaalsContact O-CG2 3.26Å; H338-V342 WeakPolarHBondContact O-CG2 3.5Å; H338-V342 PolarHBondContact O-N 3.02Å; H338-V342 VanDerWaalsContact O-N 3.08Å |
| 339 | K | 97.2 | Very high | 96.8 | Very high | 126 Ų | 126 | 70.4 Ų | 70.4 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.3 | -52.3 | 178.1 | 178.4 | 175.2 | 177.4 | 170.4 | 0 | 112 | K335 Y336 F337 L341 V342 D343 | K335-K339 PolarHBondContact O-N 3.31Å; K335-K339 VanDerWaalsContact O-N 3.1Å; Y336-K339 PolarHBondContact O-N 2.76Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.47Å; K339-L341 PolarHBondContact O-N 3.45Å; K339-V342 PolarHBondContact O-N 2.93Å; K339-D343 VanDerWaalsContact O-CG 3.28Å; K339-D343 PolarHBondContact O-N 2.95Å |
| 340 | N | 96.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.9 | -32.3 | -173.4 | -75.4 | -69.5 | 0 | 0 | 0 | 113.6 | K255 T259 Y336 F337 H338 L344 | K255-N340 WeakPolarHBondContact O-CB 3.43Å; T259-N340 WeakPolarHBondContact OG1-CB 3.41Å; T259-N340 PolarHBondContact OG1-ND2 3.43Å; Y336-N340 WeakPolarHBondContact CD1-ND2 3.38Å; Y336-N340 WeakPolarHBondContact CE1-ND2 3.33Å; Y336-N340 PolarHBondContact O-N 2.78Å; Y336-N340 PolarHBondContact O-ND2 3.48Å; F337-N340 PolarHBondContact O-N 2.93Å; H338-N340 PolarHBondContact O-N 3.22Å; N340-L344 VanDerWaalsContact O-CB 3.24Å; N340-L344 WeakPolarHBondContact O-CB 3.4Å; N340-L344 PolarHBondContact O-N 2.95Å |
| 341 | L | 97.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 74.6 Ų | 74.6 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 176 | -68.3 | 176.7 | 0 | 0 | 0 | 111.9 | L256 F337 K339 L344 A345 | L256-L341 HydrophobicContact CD1-CD2 3.86Å; F337-L341 HydrophobicContact CD1-CD1 4.5Å; F337-L341 WeakPolarHBondContact O-CB 3.43Å; F337-L341 VanDerWaalsContact O-CG 3.25Å; F337-L341 WeakPolarHBondContact O-CG 3.44Å; F337-L341 PolarHBondContact O-N 3.48Å; K339-L341 PolarHBondContact O-N 3.45Å; L341-L344 PolarHBondContact O-N 3.06Å; L341-A345 WeakPolarHBondContact O-CB 3.4Å; L341-A345 PolarHBondContact O-N 3.09Å |
| 342 | V | 98.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 72 Ų | 72 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -51.6 | 172.2 | 171 | 0 | 0 | 0 | 0 | 110.2 | H338 K339 L344 A345 E346 | H338-V342 WeakPolarHBondContact O-CB 3.36Å; H338-V342 VanDerWaalsContact O-CG2 3.26Å; H338-V342 WeakPolarHBondContact O-CG2 3.5Å; H338-V342 PolarHBondContact O-N 3.02Å; H338-V342 VanDerWaalsContact O-N 3.08Å; K339-V342 PolarHBondContact O-N 2.93Å; V342-L344 PolarHBondContact O-N 3.26Å; V342-A345 PolarHBondContact O-N 2.92Å; V342-A345 VanDerWaalsContact O-N 3.16Å; V342-E346 WeakPolarHBondContact O-CG 3.3Å; V342-E346 PolarHBondContact O-N 3.25Å |
| 343 | D | 97.7 | Very high | 97 | Very high | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.1 | -42.2 | 176.9 | -71.7 | -0.2 | 0 | 0 | 0 | 111.3 | K255 K339 E346 L347 | K255-D343 HydrophobicContact CD-CB 3.96Å; K255-D343 HydrophobicContact CG-CB 4.45Å; K255-D343 IonicContact NZ-OD2 3.35Å; K255-D343 PolarHBondContact NZ-OD2 3.48Å; K339-D343 VanDerWaalsContact O-CG 3.28Å; K339-D343 PolarHBondContact O-N 2.95Å; D343-E346 PolarHBondContact O-N 3.35Å; D343-L347 WeakPolarHBondContact O-CD1 3.31Å; D343-L347 VanDerWaalsContact O-CG 3.25Å; D343-L347 WeakPolarHBondContact O-CG 3.44Å; D343-L347 PolarHBondContact O-N 2.87Å; D343-L347 VanDerWaalsContact O-N 3.09Å |
| 344 | L | 96.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 178.1 | 177.4 | 62.5 | 0 | 0 | 0 | 111.7 | E252 K255 L256 N340 L341 V342 E346 L347 E348 | E252-L344 HydrophobicContact CB-CD1 4.44Å; E252-L344 HydrophobicContact CG-CD1 3.88Å; K255-L344 HydrophobicContact CB-CB 3.96Å; K255-L344 HydrophobicContact CB-CD1 4.24Å; L256-L344 HydrophobicContact CB-CD2 3.97Å; L256-L344 HydrophobicContact CD1-CD2 3.99Å; L256-L344 HydrophobicContact CD2-CD2 4.32Å; L256-L344 HydrophobicContact CG-CD2 4.32Å; N340-L344 VanDerWaalsContact O-CB 3.24Å; N340-L344 WeakPolarHBondContact O-CB 3.4Å; N340-L344 PolarHBondContact O-N 2.95Å; L341-L344 PolarHBondContact O-N 3.06Å; V342-L344 PolarHBondContact O-N 3.26Å; L344-E346 VanDerWaalsContact C-N 3.29Å; L344-E346 PolarHBondContact O-N 2.76Å; L344-L347 PolarHBondContact O-N 3.42Å; L344-L347 VanDerWaalsContact O-N 3.12Å; L344-E348 HydrophobicContact CD1-CG 4.18Å; L344-E348 HydrophobicContact CG-CG 4.38Å; L344-E348 WeakPolarHBondContact O-CG 3.45Å; L344-E348 PolarHBondContact O-N 2.73Å |
| 345 | A | 97.9 | Very high | 97 | Very high | 48 Ų | 48 | 73.2 Ų | 73.2 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L341 V342 L347 E348 V349 | L341-A345 WeakPolarHBondContact O-CB 3.4Å; L341-A345 PolarHBondContact O-N 3.09Å; V342-A345 PolarHBondContact O-N 2.92Å; V342-A345 VanDerWaalsContact O-N 3.16Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.93Å; A345-E348 PolarHBondContact O-N 3.08Å; A345-V349 WeakPolarHBondContact O-CG2 3.44Å; A345-V349 PolarHBondContact O-N 3.32Å |
| 346 | E | 98.2 | Very high | 97.1 | Very high | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 175.2 | -69.5 | -179 | 173.3 | 0 | 0 | 112.2 | V342 D343 L344 K350 | V342-E346 WeakPolarHBondContact O-CG 3.3Å; V342-E346 PolarHBondContact O-N 3.25Å; D343-E346 PolarHBondContact O-N 3.35Å; L344-E346 VanDerWaalsContact C-N 3.29Å; L344-E346 PolarHBondContact O-N 2.76Å; E346-K350 PolarHBondContact O-N 2.91Å; E346-K350 VanDerWaalsContact O-N 3.08Å |
| 347 | L | 97 | Very high | 97.3 | Very high | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.7 | -69.9 | 166.8 | 0 | 0 | 0 | 111.6 | D251 K255 D343 L344 A345 V349 K350 H351 | D251-L347 HydrophobicContact CB-CD1 3.96Å; K255-L347 HydrophobicContact CG-CD1 4.02Å; D343-L347 WeakPolarHBondContact O-CD1 3.31Å; D343-L347 VanDerWaalsContact O-CG 3.25Å; D343-L347 WeakPolarHBondContact O-CG 3.44Å; D343-L347 PolarHBondContact O-N 2.87Å; D343-L347 VanDerWaalsContact O-N 3.09Å; L344-L347 PolarHBondContact O-N 3.42Å; L344-L347 VanDerWaalsContact O-N 3.12Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.93Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.48Å; L347-K350 WeakPolarHBondContact O-CB 3.49Å; L347-K350 PolarHBondContact O-N 3.3Å; L347-K350 VanDerWaalsContact O-N 3.12Å; L347-H351 PolarHBondContact O-CD2 3.49Å; L347-H351 PolarHBondContact O-N 3.03Å |
| 348 | E | 95.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 176.7 | -74.2 | -177.4 | 160.9 | 0 | 0 | 111.7 | L248 L344 A345 K350 H351 A352 | L248-E348 HydrophobicContact CD1-CG 4.36Å; L344-E348 HydrophobicContact CD1-CG 4.18Å; L344-E348 HydrophobicContact CG-CG 4.38Å; L344-E348 WeakPolarHBondContact O-CG 3.45Å; L344-E348 PolarHBondContact O-N 2.73Å; A345-E348 PolarHBondContact O-N 3.08Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 3.3Å; E348-H351 PolarHBondContact O-N 3.4Å; E348-A352 WeakPolarHBondContact O-CB 3.36Å; E348-A352 PolarHBondContact O-N 2.88Å |
| 349 | V | 98 | Very high | 97.4 | Very high | 78 Ų | 78 | 66.9 Ų | 66.9 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | A345 L347 A352 K353 | A345-V349 WeakPolarHBondContact O-CG2 3.44Å; A345-V349 PolarHBondContact O-N 3.32Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.48Å; V349-A352 PolarHBondContact O-N 2.82Å; V349-K353 HydrophobicContact CG1-CD 4.28Å; V349-K353 WeakPolarHBondContact O-CG 3.31Å; V349-K353 PolarHBondContact O-N 3.03Å |
| 350 | K | 97.8 | Very high | 97.4 | Very high | 132 Ų | 132 | 66 Ų | 66 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 177.2 | -178.1 | -178.3 | 176.9 | -178.1 | 0 | 112.1 | E346 L347 E348 S354 | E346-K350 PolarHBondContact O-N 2.91Å; E346-K350 VanDerWaalsContact O-N 3.08Å; L347-K350 WeakPolarHBondContact O-CB 3.49Å; L347-K350 PolarHBondContact O-N 3.3Å; L347-K350 VanDerWaalsContact O-N 3.12Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 3.3Å; K350-S354 PolarHBondContact O-N 2.92Å; K350-S354 VanDerWaalsContact O-N 3.1Å; K350-S354 PolarHBondContact O-OG 3.46Å |
| 351 | H | 95.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.9 | -67.7 | -48.2 | 0 | 0 | 0 | 111.2 | I244 L248 D251 L347 E348 K353 S354 Q355 | I244-H351 HydrophobicContact CG2-CB 4.46Å; L248-H351 HydrophobicContact CB-CB 4.47Å; L248-H351 HydrophobicContact CD1-CB 4.21Å; D251-H351 IonicContact OD2-CD2 3.93Å; D251-H351 IonicContact OD2-CE1 3.68Å; D251-H351 PolarHBondContact OD2-CE1 3.08Å; D251-H351 IonicContact OD2-NE2 3.32Å; D251-H351 PolarHBondContact OD2-NE2 2.76Å; L347-H351 PolarHBondContact O-CD2 3.49Å; L347-H351 PolarHBondContact O-N 3.03Å; E348-H351 PolarHBondContact O-N 3.4Å; H351-K353 PolarHBondContact O-N 3.31Å; H351-S354 WeakPolarHBondContact O-CB 3.43Å; H351-S354 PolarHBondContact O-N 3.04Å; H351-S354 VanDerWaalsContact O-N 3.11Å; H351-Q355 WeakPolarHBondContact O-CG 3.35Å; H351-Q355 PolarHBondContact O-N 3.05Å |
| 352 | A | 97.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E348 V349 S354 Q355 I356 | E348-A352 WeakPolarHBondContact O-CB 3.36Å; E348-A352 PolarHBondContact O-N 2.88Å; V349-A352 PolarHBondContact O-N 2.82Å; A352-S354 VanDerWaalsContact C-N 3.32Å; A352-S354 PolarHBondContact O-N 3.44Å; A352-Q355 PolarHBondContact O-N 3.16Å; A352-I356 VanDerWaalsContact O-CG1 3.29Å; A352-I356 WeakPolarHBondContact O-CG1 3.34Å; A352-I356 PolarHBondContact O-N 2.92Å |
| 353 | K | 98.2 | Very high | 97.3 | Very high | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.4 | -43.7 | 173.9 | -74.7 | 174.6 | 180 | 177.1 | 0 | 111.9 | V349 H351 Q355 I356 E357 | V349-K353 HydrophobicContact CG1-CD 4.28Å; V349-K353 WeakPolarHBondContact O-CG 3.31Å; V349-K353 PolarHBondContact O-N 3.03Å; H351-K353 PolarHBondContact O-N 3.31Å; K353-Q355 VanDerWaalsContact C-N 3.34Å; K353-Q355 PolarHBondContact O-N 2.94Å; K353-I356 PolarHBondContact O-N 3.46Å; K353-E357 WeakPolarHBondContact O-CG 3.3Å; K353-E357 PolarHBondContact O-N 3.23Å |
| 354 | S | 97.5 | Very high | 97.2 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | K350 H351 A352 L358 | K350-S354 PolarHBondContact O-N 2.92Å; K350-S354 VanDerWaalsContact O-N 3.1Å; K350-S354 PolarHBondContact O-OG 3.46Å; H351-S354 WeakPolarHBondContact O-CB 3.43Å; H351-S354 PolarHBondContact O-N 3.04Å; H351-S354 VanDerWaalsContact O-N 3.11Å; A352-S354 VanDerWaalsContact C-N 3.32Å; A352-S354 PolarHBondContact O-N 3.44Å; S354-L358 WeakPolarHBondContact O-CB 3.42Å; S354-L358 PolarHBondContact O-N 3.42Å; S354-L358 VanDerWaalsContact O-N 3.08Å |
| 355 | Q | 96.7 | Very high | 97.1 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 175.4 | -67.7 | 175.8 | 1.4 | 0 | 0 | 111.5 | F241 I244 H351 A352 K353 E357 L358 I359 | F241-Q355 HydrophobicContact CE2-CB 4.48Å; F241-Q355 HydrophobicContact CE2-CG 4.06Å; I244-Q355 HydrophobicContact CB-CG 4.45Å; I244-Q355 HydrophobicContact CD1-CG 4.21Å; I244-Q355 HydrophobicContact CG2-CG 3.67Å; H351-Q355 WeakPolarHBondContact O-CG 3.35Å; H351-Q355 PolarHBondContact O-N 3.05Å; A352-Q355 PolarHBondContact O-N 3.16Å; K353-Q355 VanDerWaalsContact C-N 3.34Å; K353-Q355 PolarHBondContact O-N 2.94Å; Q355-E357 PolarHBondContact O-N 2.86Å; Q355-L358 PolarHBondContact O-N 2.95Å; Q355-I359 VanDerWaalsContact O-CG1 3.28Å; Q355-I359 WeakPolarHBondContact O-CG1 3.44Å; Q355-I359 PolarHBondContact O-N 2.99Å |
| 356 | I | 98.2 | Very high | 96.9 | Very high | 83 Ų | 83 | 76.3 Ų | 76.3 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 178.8 | -70.6 | 165.1 | 0 | 0 | 0 | 110.8 | A352 K353 I359 K360 | A352-I356 VanDerWaalsContact O-CG1 3.29Å; A352-I356 WeakPolarHBondContact O-CG1 3.34Å; A352-I356 PolarHBondContact O-N 2.92Å; K353-I356 PolarHBondContact O-N 3.46Å; I356-I359 PolarHBondContact O-N 2.86Å; I356-K360 HydrophobicContact CG2-CD 4.12Å; I356-K360 HydrophobicContact CG2-CG 4.44Å; I356-K360 WeakPolarHBondContact O-CG 3.4Å; I356-K360 PolarHBondContact O-N 3.5Å |
| 357 | E | 98 | Very high | 96.7 | Very high | 107 Ų | 107 | 78.8 Ų | 78.8 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 179.6 | -67.3 | -52.9 | 123.3 | 0 | 0 | 112.6 | K353 Q355 K360 S361 | K353-E357 WeakPolarHBondContact O-CG 3.3Å; K353-E357 PolarHBondContact O-N 3.23Å; Q355-E357 PolarHBondContact O-N 2.86Å; E357-K360 IonicContact OE1-NZ 2.85Å; E357-K360 PolarHBondContact OE1-NZ 3.43Å; E357-S361 WeakPolarHBondContact O-CB 3.32Å; E357-S361 PolarHBondContact O-N 3.39Å; E357-S361 PolarHBondContact O-OG 2.99Å |
| 358 | L | 97.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 84 Ų | 84 | 13% | 0.126 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 172.1 | 176.1 | 61.9 | 0 | 0 | 0 | 111.7 | F237 F241 I244 S354 Q355 S361 S362 | F237-L358 HydrophobicContact CD2-CD1 4.24Å; F237-L358 HydrophobicContact CD2-CD2 4.17Å; F237-L358 HydrophobicContact CD2-CG 3.9Å; F237-L358 HydrophobicContact CE2-CD2 4.14Å; F237-L358 HydrophobicContact CE2-CG 3.96Å; F241-L358 HydrophobicContact CB-CD2 3.86Å; F241-L358 HydrophobicContact CD2-CD2 4.26Å; I244-L358 HydrophobicContact CD1-CB 4.3Å; I244-L358 HydrophobicContact CD1-CD2 3.82Å; S354-L358 WeakPolarHBondContact O-CB 3.42Å; S354-L358 PolarHBondContact O-N 3.42Å; S354-L358 VanDerWaalsContact O-N 3.08Å; Q355-L358 PolarHBondContact O-N 2.95Å; L358-S361 PolarHBondContact O-OG 2.98Å; L358-S362 VanDerWaalsContact O-CB 3.3Å; L358-S362 WeakPolarHBondContact O-CB 3.36Å; L358-S362 PolarHBondContact O-N 2.83Å; L358-S362 PolarHBondContact O-OG 3.22Å |
| 359 | I | 97.7 | Very high | 96.1 | Very high | 72 Ų | 72 | 81.3 Ų | 81.3 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 179.4 | -68.6 | 165 | 0 | 0 | 0 | 110.3 | F237 Q355 I356 S361 S362 L363 | F237-I359 HydrophobicContact CE2-CG1 3.97Å; F237-I359 HydrophobicContact CZ-CG1 4.27Å; Q355-I359 VanDerWaalsContact O-CG1 3.28Å; Q355-I359 WeakPolarHBondContact O-CG1 3.44Å; Q355-I359 PolarHBondContact O-N 2.99Å; I356-I359 PolarHBondContact O-N 2.86Å; I359-S361 PolarHBondContact O-N 3.36Å; I359-S362 PolarHBondContact O-N 3.27Å; I359-L363 HydrophobicContact CG2-CD1 3.84Å; I359-L363 HydrophobicContact CG2-CG 4.31Å; I359-L363 WeakPolarHBondContact O-CB 3.45Å; I359-L363 VanDerWaalsContact O-CG 3.31Å; I359-L363 WeakPolarHBondContact O-CG 3.38Å; I359-L363 PolarHBondContact O-N 3.08Å |
| 360 | K | 97.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 84.2 Ų | 84.2 | 47% | 0.47 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 178.4 | -75.1 | 176.6 | -174.8 | 166.1 | 0 | 112.4 | I356 E357 S362 L363 T364 | I356-K360 HydrophobicContact CG2-CD 4.12Å; I356-K360 HydrophobicContact CG2-CG 4.44Å; I356-K360 WeakPolarHBondContact O-CG 3.4Å; I356-K360 PolarHBondContact O-N 3.5Å; E357-K360 IonicContact OE1-NZ 2.85Å; E357-K360 PolarHBondContact OE1-NZ 3.43Å; K360-S362 VanDerWaalsContact C-N 3.31Å; K360-S362 PolarHBondContact O-N 2.85Å; K360-L363 PolarHBondContact O-N 3.17Å; K360-T364 PolarHBondContact O-N 3.32Å; K360-T364 PolarHBondContact O-OG1 3.44Å |
| 361 | S | 97.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 81.9 Ų | 81.9 | 42% | 0.42 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 180 | 56 | 0 | 0 | 0 | 0 | 112 | E357 L358 I359 T364 R365 | E357-S361 WeakPolarHBondContact O-CB 3.32Å; E357-S361 PolarHBondContact O-N 3.39Å; E357-S361 PolarHBondContact O-OG 2.99Å; L358-S361 PolarHBondContact O-OG 2.98Å; I359-S361 PolarHBondContact O-N 3.36Å; S361-T364 PolarHBondContact O-N 3.15Å; S361-R365 WeakPolarHBondContact O-CG 3.44Å; S361-R365 PolarHBondContact O-N 3.43Å; S361-R365 VanDerWaalsContact O-N 3.08Å |
| 362 | S | 96.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 85.7 Ų | 85.7 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 176.8 | -56 | 0 | 0 | 0 | 0 | 112.2 | F237 L358 I359 K360 T364 R365 L366 | F237-S362 WeakPolarHBondContact CD2-OG 3.07Å; L358-S362 VanDerWaalsContact O-CB 3.3Å; L358-S362 WeakPolarHBondContact O-CB 3.36Å; L358-S362 PolarHBondContact O-N 2.83Å; L358-S362 PolarHBondContact O-OG 3.22Å; I359-S362 PolarHBondContact O-N 3.27Å; K360-S362 VanDerWaalsContact C-N 3.31Å; K360-S362 PolarHBondContact O-N 2.85Å; S362-T364 PolarHBondContact O-N 3.23Å; S362-R365 PolarHBondContact O-N 3.45Å; S362-L366 WeakPolarHBondContact O-CB 3.43Å; S362-L366 PolarHBondContact O-N 3.06Å |
| 363 | L | 95.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 93.7 Ų | 93.7 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.1 | -75.2 | 171.8 | 0 | 0 | 0 | 112.3 | I359 K360 R365 L366 K367 | I359-L363 HydrophobicContact CG2-CD1 3.84Å; I359-L363 HydrophobicContact CG2-CG 4.31Å; I359-L363 WeakPolarHBondContact O-CB 3.45Å; I359-L363 VanDerWaalsContact O-CG 3.31Å; I359-L363 WeakPolarHBondContact O-CG 3.38Å; I359-L363 PolarHBondContact O-N 3.08Å; K360-L363 PolarHBondContact O-N 3.17Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-L366 PolarHBondContact O-N 2.95Å; L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.23Å |
| 364 | T | 96.4 | Very high | 91.4 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | K360 S361 S362 K367 | K360-T364 PolarHBondContact O-N 3.32Å; K360-T364 PolarHBondContact O-OG1 3.44Å; S361-T364 PolarHBondContact O-N 3.15Å; S362-T364 PolarHBondContact O-N 3.23Å; T364-K367 PolarHBondContact O-N 3.16Å |
| 365 | R | 94.3 | Very high | 91 | Very high | 135 Ų | 135 | 93.9 Ų | 93.9 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.1 | -69.5 | 179.7 | 72.8 | -173 | 2.4 | 112.2 | L233 S361 S362 L363 K367 L368 | L233-R365 HydrophobicContact CD1-CB 3.77Å; L233-R365 HydrophobicContact CD2-CB 4.07Å; S361-R365 WeakPolarHBondContact O-CG 3.44Å; S361-R365 PolarHBondContact O-N 3.43Å; S361-R365 VanDerWaalsContact O-N 3.08Å; S362-R365 PolarHBondContact O-N 3.45Å; L363-R365 VanDerWaalsContact C-N 3.34Å; R365-K367 VanDerWaalsContact C-N 3.27Å; R365-K367 PolarHBondContact O-N 3.29Å; R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.89Å |
| 366 | L | 93.5 | Very high | 90.7 | Very high | 71 Ų | 71 | 96.5 Ų | 96.5 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 178.3 | -176.3 | 62.4 | 0 | 0 | 0 | 111.9 | L230 L233 S362 L363 L368 I369 | L230-L366 HydrophobicContact CD1-CD1 3.41Å; L230-L366 VanDerWaalsContact CD1-CD1 3.41Å; L233-L366 HydrophobicContact CD2-CB 3.82Å; L233-L366 HydrophobicContact CD2-CD1 4.12Å; S362-L366 WeakPolarHBondContact O-CB 3.43Å; S362-L366 PolarHBondContact O-N 3.06Å; L363-L366 PolarHBondContact O-N 2.95Å; L366-L368 PolarHBondContact O-N 3.48Å; L366-I369 HydrophobicContact CD1-CD1 4.44Å; L366-I369 PolarHBondContact O-N 3.05Å; L366-I369 VanDerWaalsContact O-N 3.16Å |
| 367 | K | 92.8 | Very high | 90.3 | Very high | 180 Ų | 180 | 97.3 Ų | 97.3 | 78% | 0.783 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.9 | 177 | -71.8 | 177.1 | -179.8 | -176.9 | 0 | 114.2 | L363 T364 R365 | L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.23Å; T364-K367 PolarHBondContact O-N 3.16Å; R365-K367 VanDerWaalsContact C-N 3.27Å; R365-K367 PolarHBondContact O-N 3.29Å |
| 368 | L | 91.4 | Very high | 89.8 | Confident | 145 Ų | 145 | 96.7 Ų | 96.7 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -13.8 | 178.3 | -60.5 | 175 | 0 | 0 | 0 | 112.4 | R365 L366 N370 | R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.89Å; L366-L368 PolarHBondContact O-N 3.48Å; L368-N370 PolarHBondContact O-N 3.34Å |
| 369 | I | 90.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 101.5 Ų | 101.5 | 13% | 0.133 | 54% | 0.535 | C | S | . | . | trans | -82.1 | 108.6 | 179.2 | -56.4 | 177.1 | 0 | 0 | 0 | 107.9 | S226 D229 L230 L233 L366 I371 | S226-I369 WeakPolarHBondContact O-CG2 3.28Å; D229-I369 HydrophobicContact CB-CD1 4.11Å; D229-I369 HydrophobicContact CB-CG1 4.24Å; D229-I369 HydrophobicContact CB-CG2 4.32Å; L230-I369 HydrophobicContact CB-CD1 4.28Å; L230-I369 HydrophobicContact CD1-CD1 4.42Å; L233-I369 HydrophobicContact CB-CD1 4.25Å; L233-I369 HydrophobicContact CD2-CD1 3.78Å; L366-I369 HydrophobicContact CD1-CD1 4.44Å; L366-I369 PolarHBondContact O-N 3.05Å; L366-I369 VanDerWaalsContact O-N 3.16Å; I369-I371 HydrophobicContact CG2-CG1 3.98Å; I369-I371 PolarHBondContact O-N 3.21Å | ||
| 370 | N | 83.9 | Confident | 88.7 | Confident | 140 Ų | 140 | 103.6 Ų | 103.6 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | trans | -81.5 | 96.1 | 176.3 | -170.8 | 19.6 | 0 | 0 | 0 | 109.5 | S226 L368 P372 | S226-N370 WeakPolarHBondContact CB-O 3.35Å; L368-N370 PolarHBondContact O-N 3.34Å; N370-P372 WeakPolarHBondContact O-CD 3.33Å | ||
| 371 | I | 76.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 43% | 0.426 | 55% | 0.553 | S | S | . | * | trans | -85.1 | 112.6 | 174.7 | -55.6 | 173.6 | 0 | 0 | 0 | 107.1 | L230 I369 V373 | L230-I371 HydrophobicContact CD2-CD1 4.02Å; I369-I371 HydrophobicContact CG2-CG1 3.98Å; I369-I371 PolarHBondContact O-N 3.21Å; I371-V373 PolarHBondContact O-N 3.33Å | ||
| 372 | P | 70.3 | Confident | 87.2 | Confident | 92 Ų | 92 | 106.9 Ų | 106.9 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | trans | -62.2 | 123.2 | 172.5 | 24.9 | -29.4 | 0 | 0 | 0 | 108.7 | S226 N370 | S226-P372 WeakPolarHBondContact OG-CD 3.39Å; N370-P372 WeakPolarHBondContact O-CD 3.33Å | ||
| 373 | V | 64.1 | Low | 86.3 | Confident | 212 Ų | 212 | 115 Ų | 115 | 100% | 1.285 | 60% | 0.604 | S | S | * | * | trans | -77.5 | 0 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | I371 | I371-V373 PolarHBondContact O-N 3.33Š|
Retrieved 373 of 373 residues in 805 ms
(Link to these results)