| 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 | 51.2 | Low | 69.8 | Low | 143 Ų | 143 | 72 Ų | 72 | 70% | 0.704 | 36% | 0.355 | S | S | * | . | 0 | 133.9 | 0 | -71 | 177.7 | -78.2 | 0 | 0 | 107.9 | V155 Q157 | M1-V155 WeakPolarHBondContact CA-O 3.21Å; M1-V155 HydrophobicContact CG-CB 4.38Å; M1-Q157 HydrophobicContact CB-CG 3.96Å; M1-Q157 HydrophobicContact CG-CG 4.3Å; M1-Q157 HydrophobicContact SD-CG 4.28Å; M1-Q157 PolarHBondContact SD-NE2 2.77Å | |||
| 2 | A | 52.8 | Low | 70.6 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -135.3 | 140.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y4 W154 V155 Q157 | A2-Y4 HydrophobicContact CB-CD1 4.04Å; A2-Y4 HydrophobicContact CB-CE1 3.78Å; A2-W154 HydrophobicContact CB-CB 4.45Å; A2-W154 HydrophobicContact CB-CD2 4.23Å; A2-W154 HydrophobicContact CB-CE3 3.91Å; A2-W154 HydrophobicContact CB-CG 4.43Å; A2-V155 PolarHBondContact N-O 2.87Å; A2-Q157 PolarHBondContact O-N 3.07Å |
| 3 | N | 57.3 | Low | 71.7 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | trans | -105 | 5.5 | 176.6 | 65.8 | -28.2 | 0 | 0 | 0 | 112.5 | D159 | N3-D159 WeakPolarHBondContact CB-OD1 3.45Å; N3-D159 PolarHBondContact ND2-OD1 2.93Å; N3-D159 PolarHBondContact ND2-OD2 3.26Å | ||
| 4 | Y | 64.8 | Low | 73 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 49% | 0.49 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -109.9 | 148.8 | 179.4 | 65 | -91.1 | 0 | 0 | 0 | 111.5 | A2 | A2-Y4 HydrophobicContact CB-CD1 4.04Å; A2-Y4 HydrophobicContact CB-CE1 3.78Å |
| 5 | I | 74.3 | Confident | 74.3 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 128.2 | -179.7 | -66 | 166.1 | 0 | 0 | 0 | 110 | K92 S93 T96 L214 Y243 | I5-K92 HydrophobicContact CB-CB 4.2Å; I5-K92 HydrophobicContact CG2-CB 4.27Å; I5-S93 WeakPolarHBondContact CD1-OG 3.49Å; I5-T96 HydrophobicContact CG2-CG2 4.25Å; I5-T96 VanDerWaalsContact CG2-OG1 3.25Å; I5-T96 WeakPolarHBondContact CG2-OG1 3.38Å; I5-L214 HydrophobicContact CD1-CD1 3.52Å; I5-L214 HydrophobicContact CG1-CD1 3.94Å; I5-Y243 HydrophobicContact CG1-CD2 4.31Å; I5-Y243 HydrophobicContact CG1-CE2 4.02Å |
| 6 | H | 76.1 | Confident | 75.6 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 26% | 0.255 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 118.9 | 171.2 | -168.6 | -82.8 | 0 | 0 | 0 | 110 | H151 N152 | H6-H151 HydrophobicContact CB-CB 4.45Å; H6-N152 PolarHBondContact CD2-ND2 3.02Å; H6-N152 PolarHBondContact CE1-ND2 3.28Å; H6-N152 VanDerWaalsContact CG-ND2 3.29Å; H6-N152 PolarHBondContact ND1-ND2 3.05Å; H6-N152 PolarHBondContact NE2-ND2 2.99Å |
| 7 | V | 78.4 | Confident | 76.8 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 128.8 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | A11 K92 R95 | V7-A11 HydrophobicContact CG1-CB 3.55Å; V7-K92 HydrophobicContact CG2-CB 3.77Å; V7-K92 HydrophobicContact CG2-CG 3.82Å; V7-R95 HydrophobicContact CG1-CB 3.82Å; V7-R95 HydrophobicContact CG2-CB 4.32Å |
| 8 | P | 78.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 143.1 | 175.8 | -18.3 | 24.9 | 0 | 0 | 0 | 111.7 | E10 A11 A99 H151 | P8-E10 PolarHBondContact O-N 3.36Å; P8-A11 HydrophobicContact CB-CB 4.27Å; P8-A11 HydrophobicContact CG-CB 4.38Å; P8-A11 WeakPolarHBondContact O-CB 3.1Å; P8-A11 PolarHBondContact O-N 3.03Å; P8-A99 HydrophobicContact CG-CB 3.99Å; P8-H151 WeakPolarHBondContact CG-NE2 3.44Å |
| 9 | D | 78.4 | Confident | 78.7 | Confident | 155 Ų | 155 | 71.9 Ų | 71.9 | 83% | 0.829 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.1 | 177.4 | -65.8 | -25.4 | 0 | 0 | 0 | 112.2 | A11 | D9-A11 VanDerWaalsContact C-N 3.28Å; D9-A11 PolarHBondContact O-N 3.5Å |
| 10 | E | 78.1 | Confident | 79.4 | Confident | 188 Ų | 188 | 72.6 Ų | 72.6 | 88% | 0.879 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -12.8 | 177.8 | -60 | 166 | -161.1 | 0 | 0 | 113.1 | P8 | P8-E10 PolarHBondContact O-N 3.36Š|
| 11 | A | 78.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -70.2 | 128.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V7 P8 D9 A13 R95 A99 | V7-A11 HydrophobicContact CG1-CB 3.55Å; P8-A11 HydrophobicContact CB-CB 4.27Å; P8-A11 HydrophobicContact CG-CB 4.38Å; P8-A11 WeakPolarHBondContact O-CB 3.1Å; P8-A11 PolarHBondContact O-N 3.03Å; D9-A11 VanDerWaalsContact C-N 3.28Å; D9-A11 PolarHBondContact O-N 3.5Å; A11-A13 PolarHBondContact O-N 3.41Å; A11-R95 PolarHBondContact O-NH2 3.13Å; A11-A99 HydrophobicContact CB-CB 4.09Å |
| 12 | P | 79.4 | Confident | 81.5 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 138.7 | -177.7 | -27.1 | 33.1 | 0 | 0 | 0 | 112.6 | R95 | P12-R95 PolarHBondContact O-NE 3.47Å; P12-R95 PolarHBondContact O-NH2 2.72Å |
| 13 | A | 84 | Confident | 82.8 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 72% | 0.719 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -63 | 138.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A11 | A11-A13 PolarHBondContact O-N 3.41Š|
| 14 | V | 89.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | trans | -106.8 | 113 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | R95 L106 T109 | V14-R95 HydrophobicContact CG2-CG 3.65Å; V14-L106 HydrophobicContact CB-CD2 4.47Å; V14-L106 HydrophobicContact CG1-CD2 3.93Å; V14-L106 HydrophobicContact CG1-CG 3.84Å; V14-L106 HydrophobicContact CG2-CB 4.32Å; V14-L106 HydrophobicContact CG2-CD2 3.89Å; V14-L106 HydrophobicContact CG2-CG 4.02Å; V14-T109 HydrophobicContact CG1-CG2 4.11Å | ||
| 15 | P | 93.6 | Very high | 85.1 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 144.5 | 178.3 | 27.6 | -33.8 | 0 | 0 | 0 | 110.7 | Y107 C108 T109 | P15-Y107 VanDerWaalsContact CD-O 3.31Å; P15-Y107 WeakPolarHBondContact CD-O 3.27Å; P15-Y107 WeakPolarHBondContact CG-O 3.45Å; P15-C108 HydrophobicContact CG-CB 3.93Å; P15-C108 CarbonylContact O-C 3.54Å; P15-C108 VanDerWaalsContact O-CA 3.26Å; P15-C108 WeakPolarHBondContact O-CA 3.48Å; P15-C108 VanDerWaalsContact O-CB 3.27Å; P15-C108 WeakPolarHBondContact O-CB 3.49Å; P15-T109 PolarHBondContact O-N 2.72Å |
| 16 | K | 94.6 | Very high | 85.7 | Confident | 154 Ų | 154 | 74 Ų | 74 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.4 | 166.6 | -176.2 | 175.6 | 179.8 | 178.5 | 0 | 108.6 | T109 | K16-T109 WeakPolarHBondContact CA-O 3.31Å |
| 17 | I | 95.4 | Very high | 86.3 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.1 | 178.1 | -55.3 | -179.2 | 0 | 0 | 0 | 108.4 | V19 L33 E36 L37 C108 T109 F110 | I17-V19 HydrophobicContact CG2-CB 4.39Å; I17-V19 HydrophobicContact CG2-CG2 3.81Å; I17-V19 PolarHBondContact O-N 2.85Å; I17-L33 HydrophobicContact CB-CD2 4.1Å; I17-L33 HydrophobicContact CD1-CD2 4.2Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; I17-E36 HydrophobicContact CD1-CB 3.88Å; I17-E36 HydrophobicContact CD1-CG 4.3Å; I17-E36 HydrophobicContact CG2-CG 4.45Å; I17-L37 HydrophobicContact CD1-CD2 4.29Å; I17-C108 HydrophobicContact CD1-CB 3.87Å; I17-C108 HydrophobicContact CG1-CB 4.03Å; I17-T109 PolarHBondContact N-O 2.71Å; I17-F110 WeakPolarHBondContact O-CA 3.01Å; I17-F110 WeakPolarHBondContact O-CB 3.23Å |
| 18 | D | 95.2 | Very high | 86.9 | Confident | 127 Ų | 127 | 78.7 Ų | 78.7 | 68% | 0.679 | 42% | 0.423 | S | S | * | . | trans | -77.7 | 75.8 | 178.8 | -171.8 | 25.1 | 0 | 0 | 0 | 111.3 | N111 | D18-N111 PolarHBondContact OD1-ND2 2.68Š| ||
| 19 | V | 94.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.03 | 42% | 0.42 | C | S | . | . | trans | -137 | 135.9 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 108.2 | I17 L21 R32 L33 F110 N111 | I17-V19 HydrophobicContact CG2-CB 4.39Å; I17-V19 HydrophobicContact CG2-CG2 3.81Å; I17-V19 PolarHBondContact O-N 2.85Å; V19-L21 HydrophobicContact CG1-CD1 3.7Å; V19-R32 HydrophobicContact CG2-CB 4.17Å; V19-L33 HydrophobicContact CB-CD2 3.9Å; V19-L33 HydrophobicContact CB-CG 4.36Å; V19-L33 HydrophobicContact CG1-CD2 4.16Å; V19-L33 HydrophobicContact CG1-CG 4.06Å; V19-L33 HydrophobicContact CG2-CD2 4.21Å; V19-F110 WeakPolarHBondContact O-CB 3.18Å; V19-N111 WeakPolarHBondContact O-CB 3.3Å; V19-N111 PolarHBondContact O-N 3.48Å | ||
| 20 | T | 92.6 | Very high | 88.2 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | trans | -115.2 | 128.5 | 169.3 | -53.7 | 0 | 0 | 0 | 0 | 107.6 | N111 N112 | T20-N111 WeakPolarHBondContact OG1-CB 3.39Å; T20-N111 PolarHBondContact OG1-ND2 2.97Å; T20-N111 VanDerWaalsContact OG1-ND2 3.11Å; T20-N112 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 21 | L | 90.7 | Very high | 89 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | trans | -85.2 | 124.3 | 173.9 | -91.3 | 62.6 | 0 | 0 | 0 | 109.4 | V19 Y26 A30 L33 V74 I76 F110 N112 | V19-L21 HydrophobicContact CG1-CD1 3.7Å; L21-Y26 HydrophobicContact CB-CD1 4.46Å; L21-A30 HydrophobicContact CD2-CB 4.43Å; L21-L33 HydrophobicContact CD1-CD1 3.59Å; L21-L33 HydrophobicContact CD1-CG 4.39Å; L21-V74 HydrophobicContact CD2-CG1 3.69Å; L21-I76 HydrophobicContact CB-CG1 4.31Å; L21-I76 HydrophobicContact CD2-CD1 3.86Å; L21-I76 HydrophobicContact CD2-CG1 3.78Å; L21-F110 HydrophobicContact CD1-CD2 4.28Å; L21-F110 HydrophobicContact CD1-CE2 4Å; L21-F110 HydrophobicContact CD1-CZ 4.47Å; L21-N112 PolarHBondContact N-OD1 3.23Å; L21-N112 PolarHBondContact O-ND2 2.88Å | ||
| 22 | D | 85.8 | Confident | 89.8 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | trans | -75.3 | 140.5 | 173.6 | -167.2 | -37.6 | 0 | 0 | 0 | 109.6 | N24 D25 Y26 | D22-N24 PolarHBondContact O-N 3.22Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.33Å; D22-N24 PolarHBondContact OD1-ND2 3.28Å; D22-N24 VanDerWaalsContact OD1-ND2 3.11Å; D22-D25 CarbonylContact O-C 3.33Å; D22-D25 PolarHBondContact O-N 2.96Å; D22-Y26 VanDerWaalsContact O-CD1 3.22Å; D22-Y26 WeakPolarHBondContact O-CD1 3.28Å; D22-Y26 WeakPolarHBondContact O-CE1 3.39Å; D22-Y26 PolarHBondContact O-N 2.71Å | ||
| 23 | E | 80 | Confident | 90.6 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -68.3 | -23.7 | 176.8 | -62.7 | -152.9 | 113.8 | 0 | 0 | 113.9 | Y26 K58 | E23-Y26 VanDerWaalsContact CA-CZ 3.47Å; E23-Y26 VanDerWaalsContact CA-OH 3.31Å; E23-Y26 WeakPolarHBondContact CA-OH 3.43Å; E23-Y26 HydrophobicContact CB-CE1 4.43Å; E23-Y26 WeakPolarHBondContact CB-OH 3.48Å; E23-Y26 WeakPolarHBondContact O-CE2 3.38Å; E23-Y26 VanDerWaalsContact O-CZ 3.25Å; E23-Y26 PolarHBondContact O-OH 3.4Å; E23-K58 IonicContact OE1-NZ 3.83Å; E23-K58 PolarHBondContact OE1-NZ 3.48Å |
| 24 | N | 82.7 | Confident | 91.1 | Very high | 153 Ų | 153 | 62.9 Ų | 62.9 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -89.8 | -17 | 179.1 | -56.1 | -67.1 | 0 | 0 | 0 | 112.5 | D22 | D22-N24 PolarHBondContact O-N 3.22Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.33Å; D22-N24 PolarHBondContact OD1-ND2 3.28Å; D22-N24 VanDerWaalsContact OD1-ND2 3.11Å |
| 25 | D | 86.6 | Confident | 91.3 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | trans | -149.1 | 77.9 | 178.6 | -179.6 | 18.9 | 0 | 0 | 0 | 111.9 | D22 R27 S28 | D22-D25 CarbonylContact O-C 3.33Å; D22-D25 PolarHBondContact O-N 2.96Å; D25-R27 PolarHBondContact O-N 3.12Å; D25-R27 PolarHBondContact OD1-N 3.37Å; D25-S28 VanDerWaalsContact CG-OG 3.25Å; D25-S28 PolarHBondContact O-OG 3.38Å; D25-S28 PolarHBondContact OD1-N 3.05Å; D25-S28 WeakPolarHBondContact OD2-CB 3.3Å; D25-S28 PolarHBondContact OD2-OG 3.05Å | ||
| 26 | Y | 86.6 | Confident | 91.4 | Very high | 32 Ų | 32 | 71 Ų | 71 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -27 | 174.2 | -60.3 | -63.6 | 0 | 0 | 0 | 113.1 | L21 D22 E23 A30 F50 K58 I76 | L21-Y26 HydrophobicContact CB-CD1 4.46Å; D22-Y26 VanDerWaalsContact O-CD1 3.22Å; D22-Y26 WeakPolarHBondContact O-CD1 3.28Å; D22-Y26 WeakPolarHBondContact O-CE1 3.39Å; D22-Y26 PolarHBondContact O-N 2.71Å; E23-Y26 VanDerWaalsContact CA-CZ 3.47Å; E23-Y26 VanDerWaalsContact CA-OH 3.31Å; E23-Y26 WeakPolarHBondContact CA-OH 3.43Å; E23-Y26 HydrophobicContact CB-CE1 4.43Å; E23-Y26 WeakPolarHBondContact CB-OH 3.48Å; E23-Y26 WeakPolarHBondContact O-CE2 3.38Å; E23-Y26 VanDerWaalsContact O-CZ 3.25Å; E23-Y26 PolarHBondContact O-OH 3.4Å; Y26-A30 WeakPolarHBondContact O-CB 3.35Å; Y26-A30 PolarHBondContact O-N 3.42Å; Y26-F50 HydrophobicContact CD2-CE1 4.01Å; Y26-F50 AromaticContact CD2-CZ 3.92Å; Y26-F50 HydrophobicContact CD2-CZ 3.92Å; Y26-F50 HydrophobicContact CG-CE1 4.48Å; Y26-F50 HydrophobicContact CG-CZ 4.46Å; Y26-K58 HydrophobicContact CE1-CD 4.36Å; Y26-K58 VanDerWaalsContact OH-CD 3.22Å; Y26-K58 WeakPolarHBondContact OH-CD 3.13Å; Y26-K58 WeakPolarHBondContact OH-CE 3.45Å; Y26-K58 PolarHBondContact OH-NZ 2.91Å; Y26-I76 HydrophobicContact CD1-CD1 3.46Å; Y26-I76 VanDerWaalsContact CD1-CD1 3.46Å; Y26-I76 HydrophobicContact CE1-CD1 3.62Å; Y26-I76 HydrophobicContact CG-CD1 4.37Å |
| 27 | R | 88.4 | Confident | 91.3 | Very high | 118 Ų | 118 | 65.1 Ų | 65.1 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.4 | -46.9 | -169.4 | -179.4 | 173.5 | -172 | 91.6 | 6.1 | 111 | D25 A30 L31 V46 M48 | D25-R27 PolarHBondContact O-N 3.12Å; D25-R27 PolarHBondContact OD1-N 3.37Å; R27-A30 PolarHBondContact O-N 3.28Å; R27-L31 HydrophobicContact CG-CD1 4.05Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 WeakPolarHBondContact O-CB 3.45Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 2.83Å; R27-V46 PolarHBondContact NH2-O 3.05Å; R27-M48 HydrophobicContact CB-SD 4.07Å; R27-M48 HydrophobicContact CG-CE 3.93Å; R27-M48 HydrophobicContact CG-SD 3.76Å |
| 28 | S | 91 | Very high | 91.3 | Very high | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | -179 | 61 | 0 | 0 | 0 | 0 | 111.9 | D25 L31 R32 | D25-S28 VanDerWaalsContact CG-OG 3.25Å; D25-S28 PolarHBondContact O-OG 3.38Å; D25-S28 PolarHBondContact OD1-N 3.05Å; D25-S28 WeakPolarHBondContact OD2-CB 3.3Å; D25-S28 PolarHBondContact OD2-OG 3.05Å; S28-L31 PolarHBondContact O-N 2.95Å; S28-R32 WeakPolarHBondContact O-CG 3.45Å; S28-R32 PolarHBondContact O-N 3.33Å |
| 29 | G | 92.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L31 R32 L33 | G29-L31 PolarHBondContact O-N 2.94Å; G29-R32 WeakPolarHBondContact O-CB 3.3Å; G29-R32 PolarHBondContact O-N 3.36Å; G29-L33 PolarHBondContact O-N 2.97Å; G29-L33 VanDerWaalsContact O-N 3.17Å |
| 30 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L21 Y26 R27 R32 L33 I34 M48 L60 | L21-A30 HydrophobicContact CD2-CB 4.43Å; Y26-A30 WeakPolarHBondContact O-CB 3.35Å; Y26-A30 PolarHBondContact O-N 3.42Å; R27-A30 PolarHBondContact O-N 3.28Å; A30-R32 VanDerWaalsContact C-N 3.28Å; A30-R32 PolarHBondContact O-N 3.45Å; A30-L33 WeakPolarHBondContact O-CB 3.43Å; A30-L33 PolarHBondContact O-N 3.5Å; A30-L33 VanDerWaalsContact O-N 3.14Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.2Å; A30-I34 PolarHBondContact O-N 2.88Å; A30-M48 HydrophobicContact CB-CE 3.65Å; A30-M48 HydrophobicContact CB-SD 4.5Å; A30-L60 HydrophobicContact CB-CD2 3.72Å |
| 31 | L | 93.9 | Very high | 91.2 | Very high | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 177 | -73.7 | 175.6 | 0 | 0 | 0 | 112.9 | R27 S28 G29 I34 K35 P43 V46 M48 | R27-L31 HydrophobicContact CG-CD1 4.05Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 WeakPolarHBondContact O-CB 3.45Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 2.83Å; S28-L31 PolarHBondContact O-N 2.95Å; G29-L31 PolarHBondContact O-N 2.94Å; L31-I34 PolarHBondContact O-N 3.1Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 3.05Å; L31-P43 HydrophobicContact CD2-CB 4.39Å; L31-V46 HydrophobicContact CD2-CB 3.86Å; L31-V46 HydrophobicContact CD2-CG1 3.99Å; L31-V46 HydrophobicContact CD2-CG2 4.16Å; L31-M48 HydrophobicContact CD2-CE 3.81Å; L31-M48 HydrophobicContact CG-CE 3.71Å |
| 32 | R | 94.9 | Very high | 91.3 | Very high | 142 Ų | 142 | 76.5 Ų | 76.5 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173 | -70.4 | 172.5 | 62.7 | -170.5 | -3 | 111.3 | V19 S28 G29 A30 K35 E36 | V19-R32 HydrophobicContact CG2-CB 4.17Å; S28-R32 WeakPolarHBondContact O-CG 3.45Å; S28-R32 PolarHBondContact O-N 3.33Å; G29-R32 WeakPolarHBondContact O-CB 3.3Å; G29-R32 PolarHBondContact O-N 3.36Å; A30-R32 VanDerWaalsContact C-N 3.28Å; A30-R32 PolarHBondContact O-N 3.45Å; R32-K35 PolarHBondContact O-N 2.94Å; R32-E36 PolarHBondContact O-N 3.48Å |
| 33 | L | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.3 | -66 | 170.2 | 0 | 0 | 0 | 111.3 | I17 V19 L21 G29 A30 K35 E36 L37 V74 F110 | I17-L33 HydrophobicContact CB-CD2 4.1Å; I17-L33 HydrophobicContact CD1-CD2 4.2Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; V19-L33 HydrophobicContact CB-CD2 3.9Å; V19-L33 HydrophobicContact CB-CG 4.36Å; V19-L33 HydrophobicContact CG1-CD2 4.16Å; V19-L33 HydrophobicContact CG1-CG 4.06Å; V19-L33 HydrophobicContact CG2-CD2 4.21Å; L21-L33 HydrophobicContact CD1-CD1 3.59Å; L21-L33 HydrophobicContact CD1-CG 4.39Å; G29-L33 PolarHBondContact O-N 2.97Å; G29-L33 VanDerWaalsContact O-N 3.17Å; A30-L33 WeakPolarHBondContact O-CB 3.43Å; A30-L33 PolarHBondContact O-N 3.5Å; A30-L33 VanDerWaalsContact O-N 3.14Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.41Å; L33-E36 PolarHBondContact O-N 3.15Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.26Å; L33-V74 HydrophobicContact CD1-CG1 3.87Å; L33-F110 HydrophobicContact CD1-CD1 3.74Å; L33-F110 HydrophobicContact CD1-CD2 4.48Å; L33-F110 HydrophobicContact CD1-CE1 3.79Å; L33-F110 HydrophobicContact CD1-CG 4.1Å; L33-F110 HydrophobicContact CD1-CZ 4.21Å; L33-F110 HydrophobicContact CD2-CB 3.98Å; L33-F110 HydrophobicContact CD2-CD1 4.13Å; L33-F110 HydrophobicContact CD2-CG 4.19Å |
| 34 | I | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -35.8 | -179.9 | -65 | -58.6 | 0 | 0 | 0 | 112.1 | A30 L31 E36 L37 R38 W41 V46 C62 V72 | A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.2Å; A30-I34 PolarHBondContact O-N 2.88Å; L31-I34 PolarHBondContact O-N 3.1Å; I34-E36 VanDerWaalsContact C-N 3.26Å; I34-E36 PolarHBondContact O-N 2.89Å; I34-L37 PolarHBondContact O-N 2.89Å; I34-R38 HydrophobicContact CG2-CB 4.35Å; I34-R38 CarbonylContact O-C 3.58Å; I34-R38 WeakPolarHBondContact O-CA 3.37Å; I34-R38 PolarHBondContact O-N 3.35Å; I34-W41 HydrophobicContact CD1-CZ3 4.38Å; I34-W41 HydrophobicContact CG2-CB 4.48Å; I34-W41 HydrophobicContact CG2-CD2 4.39Å; I34-W41 HydrophobicContact CG2-CE3 3.5Å; I34-W41 HydrophobicContact CG2-CZ3 4.1Å; I34-V46 HydrophobicContact CG2-CG2 4.14Å; I34-C62 HydrophobicContact CD1-CB 3.47Å; I34-C62 VanDerWaalsContact CD1-CB 3.47Å; I34-C62 HydrophobicContact CG1-CB 3.74Å; I34-V72 HydrophobicContact CD1-CB 3.59Å; I34-V72 HydrophobicContact CD1-CG1 3.72Å; I34-V72 HydrophobicContact CD1-CG2 3.99Å |
| 35 | K | 94.5 | Very high | 92.5 | Very high | 145 Ų | 145 | 72.5 Ų | 72.5 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.1 | -38.2 | 175.1 | -173.5 | -178.1 | 176.5 | -173 | 0 | 112.3 | L31 R32 L33 P39 | L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 3.05Å; R32-K35 PolarHBondContact O-N 2.94Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.41Å; K35-P39 WeakPolarHBondContact O-CA 3.24Å |
| 36 | E | 94.3 | Very high | 92.9 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.4 | -43.2 | 176 | -62 | -59.1 | 143.2 | 0 | 0 | 111.8 | I17 R32 L33 I34 | I17-E36 HydrophobicContact CD1-CB 3.88Å; I17-E36 HydrophobicContact CD1-CG 4.3Å; I17-E36 HydrophobicContact CG2-CG 4.45Å; R32-E36 PolarHBondContact O-N 3.48Å; L33-E36 PolarHBondContact O-N 3.15Å; I34-E36 VanDerWaalsContact C-N 3.26Å; I34-E36 PolarHBondContact O-N 2.89Å |
| 37 | L | 94.2 | Very high | 93.2 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -81.4 | -26.2 | -173.4 | -64.3 | 179.9 | 0 | 0 | 0 | 114.4 | I17 L33 I34 V72 C108 C115 | I17-L37 HydrophobicContact CD1-CD2 4.29Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.26Å; I34-L37 PolarHBondContact O-N 2.89Å; L37-V72 HydrophobicContact CD1-CG1 3.88Å; L37-C108 HydrophobicContact CD2-CB 4.18Å; L37-C115 HydrophobicContact CD1-CB 3.65Å |
| 38 | R | 94.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 68.5 Ų | 68.5 | 18% | 0.181 | 34% | 0.337 | C | S | . | . | trans | -144.2 | 70.5 | -176.9 | -66.7 | -63.7 | -174.4 | -77.6 | -5.1 | 109.7 | I34 F40 W41 D70 V72 Y107 | I34-R38 HydrophobicContact CG2-CB 4.35Å; I34-R38 CarbonylContact O-C 3.58Å; I34-R38 WeakPolarHBondContact O-CA 3.37Å; I34-R38 PolarHBondContact O-N 3.35Å; R38-F40 PolarHBondContact O-N 3.24Å; R38-W41 HydrophobicContact CB-CB 4.21Å; R38-W41 HydrophobicContact CB-CD2 3.57Å; R38-W41 HydrophobicContact CB-CE3 4Å; R38-W41 HydrophobicContact CB-CG 3.67Å; R38-W41 HydrophobicContact CG-CD2 3.87Å; R38-W41 HydrophobicContact CG-CE3 4.16Å; R38-W41 HydrophobicContact CG-CG 4.41Å; R38-W41 HydrophobicContact CG-CH2 4.14Å; R38-W41 HydrophobicContact CG-CZ2 3.88Å; R38-W41 HydrophobicContact CG-CZ3 4.28Å; R38-W41 WeakPolarHBondContact O-CB 3.43Å; R38-W41 PolarHBondContact O-N 2.92Å; R38-D70 IonicContact CZ-OD1 3.41Å; R38-D70 IonicContact CZ-OD2 3.73Å; R38-D70 IonicContact NE-OD1 2.64Å; R38-D70 PolarHBondContact NE-OD1 3.49Å; R38-D70 IonicContact NE-OD2 3.6Å; R38-D70 PolarHBondContact NE-OD2 3.36Å; R38-D70 IonicContact NH2-OD1 2.77Å; R38-D70 PolarHBondContact NH2-OD1 2.81Å; R38-D70 IonicContact NH2-OD2 3.99Å; R38-V72 HydrophobicContact CG-CG2 4.21Å; R38-Y107 PolarHBondContact NH2-OH 3.41Å; R38-Y107 VanDerWaalsContact NH2-OH 3.1Å | ||
| 39 | P | 93.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 57% | 0.571 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.2 | -173.9 | 24.6 | -35.4 | 0 | 0 | 0 | 114.3 | K35 | K35-P39 WeakPolarHBondContact O-CA 3.24Š|
| 40 | F | 93 | Very high | 93 | Very high | 193 Ų | 193 | 75.7 Ų | 75.7 | 85% | 0.846 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -10.5 | 178.2 | -54.4 | -69.3 | 0 | 0 | 0 | 113.8 | R38 K42 | R38-F40 PolarHBondContact O-N 3.24Å; F40-K42 PolarHBondContact O-N 3.07Å |
| 41 | W | 94 | Very high | 92.4 | Very high | 39 Ų | 39 | 77.7 Ų | 77.7 | 15% | 0.148 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -78 | 121.7 | 176.3 | -71.5 | 8.7 | 0 | 0 | 0 | 110 | I34 R38 P43 V46 C62 V64 D70 V72 | I34-W41 HydrophobicContact CD1-CZ3 4.38Å; I34-W41 HydrophobicContact CG2-CB 4.48Å; I34-W41 HydrophobicContact CG2-CD2 4.39Å; I34-W41 HydrophobicContact CG2-CE3 3.5Å; I34-W41 HydrophobicContact CG2-CZ3 4.1Å; R38-W41 HydrophobicContact CB-CB 4.21Å; R38-W41 HydrophobicContact CB-CD2 3.57Å; R38-W41 HydrophobicContact CB-CE3 4Å; R38-W41 HydrophobicContact CB-CG 3.67Å; R38-W41 HydrophobicContact CG-CD2 3.87Å; R38-W41 HydrophobicContact CG-CE3 4.16Å; R38-W41 HydrophobicContact CG-CG 4.41Å; R38-W41 HydrophobicContact CG-CH2 4.14Å; R38-W41 HydrophobicContact CG-CZ2 3.88Å; R38-W41 HydrophobicContact CG-CZ3 4.28Å; R38-W41 WeakPolarHBondContact O-CB 3.43Å; R38-W41 PolarHBondContact O-N 2.92Å; W41-P43 WeakPolarHBondContact O-CD 3.38Å; W41-V46 HydrophobicContact CB-CG2 4.2Å; W41-V46 HydrophobicContact CE3-CG2 4.16Å; W41-C62 WeakPolarHBondContact CH2-O 3.44Å; W41-C62 HydrophobicContact CZ3-CB 4.5Å; W41-C62 WeakPolarHBondContact CZ3-O 3.45Å; W41-V64 HydrophobicContact CB-CG2 3.86Å; W41-V64 HydrophobicContact CD2-CB 4.28Å; W41-V64 HydrophobicContact CD2-CG2 3.51Å; W41-V64 HydrophobicContact CE3-CG2 3.75Å; W41-V64 HydrophobicContact CG-CB 4.43Å; W41-V64 HydrophobicContact CG-CG2 3.57Å; W41-D70 WeakPolarHBondContact CH2-O 3.27Å; W41-D70 HydrophobicContact CZ2-CB 4.02Å; W41-D70 WeakPolarHBondContact CZ2-O 3.3Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.32Å; W41-V72 HydrophobicContact CH2-CG2 4.23Å; W41-V72 HydrophobicContact CZ3-CG2 4.49Å |
| 42 | K | 92.4 | Very high | 91.2 | Very high | 119 Ų | 119 | 81.6 Ų | 81.6 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | trans | -69.5 | 126.6 | 174 | -60.8 | -168.3 | -151.9 | 137.7 | 0 | 109.2 | F40 S44 E45 V46 | F40-K42 PolarHBondContact O-N 3.07Å; K42-S44 PolarHBondContact O-N 3.47Å; K42-E45 HydrophobicContact CB-CB 4.33Å; K42-E45 HydrophobicContact CB-CG 4.08Å; K42-E45 WeakPolarHBondContact CD-OE1 3.5Å; K42-E45 IonicContact NZ-OE1 2.62Å; K42-E45 PolarHBondContact NZ-OE1 3.48Å; K42-E45 PolarHBondContact O-N 3.39Å; K42-V46 PolarHBondContact O-N 3.1Å | ||
| 43 | P | 91.1 | Very high | 89.7 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31 | -178.1 | -29.3 | 35.8 | 0 | 0 | 0 | 114.7 | L31 W41 E45 V46 | L31-P43 HydrophobicContact CD2-CB 4.39Å; W41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 PolarHBondContact O-N 2.83Å; P43-V46 PolarHBondContact O-N 2.9Å |
| 44 | S | 91.3 | Very high | 88 | Confident | 104 Ų | 104 | 82.1 Ų | 82.1 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -22.2 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 114 | K42 | K42-S44 PolarHBondContact O-N 3.47Š|
| 45 | E | 92.5 | Very high | 86.3 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -10.7 | -178.8 | -63.6 | 173.7 | -171 | 0 | 0 | 112.2 | K42 P43 K47 V64 | K42-E45 HydrophobicContact CB-CB 4.33Å; K42-E45 HydrophobicContact CB-CG 4.08Å; K42-E45 WeakPolarHBondContact CD-OE1 3.5Å; K42-E45 IonicContact NZ-OE1 2.62Å; K42-E45 PolarHBondContact NZ-OE1 3.48Å; K42-E45 PolarHBondContact O-N 3.39Å; P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 PolarHBondContact O-N 2.83Å; E45-K47 PolarHBondContact O-N 3.32Å; E45-V64 HydrophobicContact CB-CG1 4.19Å |
| 46 | V | 93.6 | Very high | 84.7 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.024 | 41% | 0.412 | C | S | . | . | trans | -70.2 | 114.9 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | R27 L31 I34 W41 K42 P43 M48 C62 V64 | R27-V46 PolarHBondContact NH2-O 3.05Å; L31-V46 HydrophobicContact CD2-CB 3.86Å; L31-V46 HydrophobicContact CD2-CG1 3.99Å; L31-V46 HydrophobicContact CD2-CG2 4.16Å; I34-V46 HydrophobicContact CG2-CG2 4.14Å; W41-V46 HydrophobicContact CB-CG2 4.2Å; W41-V46 HydrophobicContact CE3-CG2 4.16Å; K42-V46 PolarHBondContact O-N 3.1Å; P43-V46 PolarHBondContact O-N 2.9Å; V46-M48 HydrophobicContact CG1-CE 4.41Å; V46-C62 HydrophobicContact CG1-CB 4.22Å; V46-V64 HydrophobicContact CG2-CG2 4.06Å | ||
| 47 | K | 92.3 | Very high | 83.6 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 147.4 | 169.9 | -64 | 176.8 | -178.5 | 173.1 | 0 | 109.3 | E45 C62 Y63 G65 | E45-K47 PolarHBondContact O-N 3.32Å; K47-C62 WeakPolarHBondContact O-CA 3.13Å; K47-Y63 HydrophobicContact CB-CD1 4.32Å; K47-Y63 HydrophobicContact CB-CD2 4.31Å; K47-Y63 HydrophobicContact CB-CE1 3.88Å; K47-Y63 HydrophobicContact CB-CE2 3.89Å; K47-Y63 HydrophobicContact CB-CG 4.5Å; K47-Y63 HydrophobicContact CD-CE2 3.76Å; K47-Y63 HydrophobicContact CG-CE2 4.45Å; K47-Y63 PolarHBondContact N-O 2.99Å; K47-Y63 PolarHBondContact O-N 3.27Å; K47-G65 PolarHBondContact NZ-O 2.91Å |
| 48 | M | 91.3 | Very high | 83 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 20% | 0.197 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.1 | -179.9 | -71.5 | 179.7 | 178.2 | 0 | 0 | 109.1 | R27 A30 L31 V46 L60 G61 | R27-M48 HydrophobicContact CB-SD 4.07Å; R27-M48 HydrophobicContact CG-CE 3.93Å; R27-M48 HydrophobicContact CG-SD 3.76Å; A30-M48 HydrophobicContact CB-CE 3.65Å; A30-M48 HydrophobicContact CB-SD 4.5Å; L31-M48 HydrophobicContact CD2-CE 3.81Å; L31-M48 HydrophobicContact CG-CE 3.71Å; V46-M48 HydrophobicContact CG1-CE 4.41Å; M48-L60 HydrophobicContact CB-CD1 3.81Å; M48-L60 HydrophobicContact CB-CG 4.44Å; M48-L60 HydrophobicContact CG-CD1 4.4Å; M48-L60 HydrophobicContact CG-CD2 4.31Å; M48-L60 HydrophobicContact SD-CD2 3.98Å; M48-G61 CarbonylContact C-O 3.57Å; M48-G61 VanDerWaalsContact CA-O 3.31Å; M48-G61 WeakPolarHBondContact CA-O 3.47Å |
| 49 | K | 89.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 76 Ų | 76 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.1 | 174.9 | 179.3 | 179.2 | 176.4 | -174.6 | 0 | 109.5 | L60 G61 Y63 M68 | K49-L60 CarbonylContact O-C 3.5Å; K49-G61 PolarHBondContact N-O 3.03Å; K49-G61 PolarHBondContact O-N 3.39Å; K49-Y63 HydrophobicContact CB-CE1 4.27Å; K49-M68 HydrophobicContact CB-CE 4.28Å; K49-M68 HydrophobicContact CD-CE 3.5Å; K49-M68 VanDerWaalsContact CD-CE 3.5Å |
| 50 | F | 87 | Confident | 82.6 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.4 | 170.7 | -71 | -86.9 | 0 | 0 | 0 | 110.4 | Y26 L60 | Y26-F50 HydrophobicContact CD2-CE1 4.01Å; Y26-F50 AromaticContact CD2-CZ 3.92Å; Y26-F50 HydrophobicContact CD2-CZ 3.92Å; Y26-F50 HydrophobicContact CG-CE1 4.48Å; Y26-F50 HydrophobicContact CG-CZ 4.46Å; F50-L60 HydrophobicContact CD1-CD1 3.99Å; F50-L60 HydrophobicContact CD2-CD1 4.01Å; F50-L60 HydrophobicContact CE1-CD1 3.89Å; F50-L60 HydrophobicContact CE2-CD1 3.91Å; F50-L60 HydrophobicContact CG-CD1 4.06Å; F50-L60 HydrophobicContact CZ-CD1 3.85Å |
| 51 | F | 80.6 | Confident | 82.6 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.9 | 168 | -62.6 | -90.3 | 0 | 0 | 0 | 107.5 | L59 L73 F118 | F51-L59 HydrophobicContact CB-CB 4.13Å; F51-L59 HydrophobicContact CB-CD2 3.98Å; F51-L59 HydrophobicContact CB-CG 4.19Å; F51-L59 HydrophobicContact CD2-CD2 4.22Å; F51-L59 HydrophobicContact CD2-CG 4.1Å; F51-L59 HydrophobicContact CG-CD2 4.26Å; F51-L59 HydrophobicContact CG-CG 4.49Å; F51-L59 PolarHBondContact N-O 3.27Å; F51-L73 HydrophobicContact CD2-CD2 4.04Å; F51-L73 HydrophobicContact CE2-CD2 3.61Å; F51-L73 HydrophobicContact CZ-CD2 4.38Å; F51-F118 AromaticContact CE1-CE2 3.96Å; F51-F118 HydrophobicContact CE1-CE2 3.96Å; F51-F118 HydrophobicContact CZ-CD2 4.21Å; F51-F118 AromaticContact CZ-CE2 3.67Å; F51-F118 HydrophobicContact CZ-CE2 3.67Å; F51-F118 HydrophobicContact CZ-CZ 4.46Å |
| 52 | T | 68.6 | Low | 82.6 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 76% | 0.755 | 32% | 0.324 | S | S | * | . | trans | -110.4 | 5.7 | -168.9 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | G54 | T52-G54 VanDerWaalsContact C-N 3.32Å; T52-G54 PolarHBondContact O-N 3.27Å | ||
| 53 | D | 63.1 | Low | 82.7 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | trans | -79.8 | -12.1 | -172.9 | -60.5 | -52.5 | 0 | 0 | 0 | 113.9 | ||||
| 54 | G | 60.3 | Low | 82.7 | Confident | 47 Ų | 47 | 55 Ų | 55 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | trans | -91.4 | 137.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T52 | T52-G54 VanDerWaalsContact C-N 3.32Å; T52-G54 PolarHBondContact O-N 3.27Å | ||
| 55 | I | 61.5 | Low | 82.4 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -75.9 | -48.5 | 178.7 | -68.5 | 176.4 | 0 | 0 | 0 | 110.7 | L260 I331 | I55-L260 HydrophobicContact CD1-CD2 3.43Å; I55-L260 VanDerWaalsContact CD1-CD2 3.43Å; I55-L260 HydrophobicContact CD1-CG 4.49Å; I55-I331 HydrophobicContact CG2-CD1 3.68Å; I55-I331 HydrophobicContact CG2-CG1 4.4Å; I55-I331 HydrophobicContact CG2-CG2 4.25Å; I55-I331 WeakPolarHBondContact O-CD1 3.35Å |
| 56 | T | 60 | Low | 81.4 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.2 | -29.7 | -166 | -54 | 0 | 0 | 0 | 0 | 113.8 | G78 T81 | T56-G78 WeakPolarHBondContact O-CA 3.43Å; T56-G78 PolarHBondContact O-N 3.49Å; T56-T81 HydrophobicContact CG2-CG2 3.23Å |
| 57 | N | 70.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | trans | -123.2 | 141.2 | -167.4 | -65.6 | -51.7 | 0 | 0 | 0 | 112.3 | R75 G78 E239 | N57-R75 HydrophobicContact CB-CG 3.89Å; N57-G78 PolarHBondContact OD1-N 3Å; N57-E239 PolarHBondContact ND2-OE2 3.34Å | ||
| 58 | K | 81.3 | Confident | 79.6 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.8 | 173 | -68 | 173.8 | -176.9 | 167.9 | 0 | 109.4 | E23 Y26 R75 I76 | E23-K58 IonicContact OE1-NZ 3.83Å; E23-K58 PolarHBondContact OE1-NZ 3.48Å; Y26-K58 HydrophobicContact CE1-CD 4.36Å; Y26-K58 VanDerWaalsContact OH-CD 3.22Å; Y26-K58 WeakPolarHBondContact OH-CD 3.13Å; Y26-K58 WeakPolarHBondContact OH-CE 3.45Å; Y26-K58 PolarHBondContact OH-NZ 2.91Å; K58-R75 WeakPolarHBondContact O-CA 3.49Å; K58-I76 HydrophobicContact CB-CB 4.36Å; K58-I76 HydrophobicContact CB-CD1 4.19Å; K58-I76 PolarHBondContact N-O 2.74Å; K58-I76 PolarHBondContact O-N 2.62Å |
| 59 | L | 88.1 | Confident | 79 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.4 | -174.5 | -173.8 | 65.5 | 0 | 0 | 0 | 111.9 | F51 L73 R75 Y116 | F51-L59 HydrophobicContact CB-CB 4.13Å; F51-L59 HydrophobicContact CB-CD2 3.98Å; F51-L59 HydrophobicContact CB-CG 4.19Å; F51-L59 HydrophobicContact CD2-CD2 4.22Å; F51-L59 HydrophobicContact CD2-CG 4.1Å; F51-L59 HydrophobicContact CG-CD2 4.26Å; F51-L59 HydrophobicContact CG-CG 4.49Å; F51-L59 PolarHBondContact N-O 3.27Å; L59-L73 HydrophobicContact CD1-CB 4.01Å; L59-L73 HydrophobicContact CD1-CD1 4.4Å; L59-L73 HydrophobicContact CD1-CD2 4.12Å; L59-L73 HydrophobicContact CD1-CG 4.41Å; L59-L73 HydrophobicContact CD2-CD1 4.4Å; L59-L73 HydrophobicContact CD2-CD2 4.26Å; L59-L73 HydrophobicContact CG-CD2 4.11Å; L59-R75 HydrophobicContact CD1-CB 3.72Å; L59-R75 HydrophobicContact CD1-CG 4.1Å; L59-Y116 HydrophobicContact CD1-CE1 4.41Å; L59-Y116 WeakPolarHBondContact CD1-OH 3.48Å |
| 60 | L | 91.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120 | -178.6 | -177.8 | 68.4 | 0 | 0 | 0 | 110.7 | A30 M48 K49 F50 L73 V74 | A30-L60 HydrophobicContact CB-CD2 3.72Å; M48-L60 HydrophobicContact CB-CD1 3.81Å; M48-L60 HydrophobicContact CB-CG 4.44Å; M48-L60 HydrophobicContact CG-CD1 4.4Å; M48-L60 HydrophobicContact CG-CD2 4.31Å; M48-L60 HydrophobicContact SD-CD2 3.98Å; K49-L60 CarbonylContact O-C 3.5Å; F50-L60 HydrophobicContact CD1-CD1 3.99Å; F50-L60 HydrophobicContact CD2-CD1 4.01Å; F50-L60 HydrophobicContact CE1-CD1 3.89Å; F50-L60 HydrophobicContact CE2-CD1 3.91Å; F50-L60 HydrophobicContact CG-CD1 4.06Å; F50-L60 HydrophobicContact CZ-CD1 3.85Å; L60-L73 CarbonylContact O-C 3.56Å; L60-V74 HydrophobicContact CB-CB 4.32Å; L60-V74 PolarHBondContact N-O 2.91Å; L60-V74 PolarHBondContact O-N 3.46Å |
| 61 | G | 93.1 | Very high | 79.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M48 K49 | M48-G61 CarbonylContact C-O 3.57Å; M48-G61 VanDerWaalsContact CA-O 3.31Å; M48-G61 WeakPolarHBondContact CA-O 3.47Å; K49-G61 PolarHBondContact N-O 3.03Å; K49-G61 PolarHBondContact O-N 3.39Å |
| 62 | C | 94.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.4 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | I34 W41 V46 K47 V71 V72 | I34-C62 HydrophobicContact CD1-CB 3.47Å; I34-C62 VanDerWaalsContact CD1-CB 3.47Å; I34-C62 HydrophobicContact CG1-CB 3.74Å; W41-C62 WeakPolarHBondContact CH2-O 3.44Å; W41-C62 HydrophobicContact CZ3-CB 4.5Å; W41-C62 WeakPolarHBondContact CZ3-O 3.45Å; V46-C62 HydrophobicContact CG1-CB 4.22Å; K47-C62 WeakPolarHBondContact O-CA 3.13Å; C62-V71 WeakPolarHBondContact O-CA 3.34Å; C62-V72 PolarHBondContact N-O 3.3Å; C62-V72 PolarHBondContact O-N 3.31Å |
| 63 | Y | 93.9 | Very high | 81.2 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 14% | 0.137 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 160.7 | -177.6 | 64.3 | -79 | 0 | 0 | 0 | 112.3 | K47 K49 M68 V71 | K47-Y63 HydrophobicContact CB-CD1 4.32Å; K47-Y63 HydrophobicContact CB-CD2 4.31Å; K47-Y63 HydrophobicContact CB-CE1 3.88Å; K47-Y63 HydrophobicContact CB-CE2 3.89Å; K47-Y63 HydrophobicContact CB-CG 4.5Å; K47-Y63 HydrophobicContact CD-CE2 3.76Å; K47-Y63 HydrophobicContact CG-CE2 4.45Å; K47-Y63 PolarHBondContact N-O 2.99Å; K47-Y63 PolarHBondContact O-N 3.27Å; K49-Y63 HydrophobicContact CB-CE1 4.27Å; Y63-M68 HydrophobicContact CD1-CE 4.21Å; Y63-M68 HydrophobicContact CD1-CG 4.27Å; Y63-M68 HydrophobicContact CD2-CG 4.04Å; Y63-M68 HydrophobicContact CE1-CE 3.49Å; Y63-M68 VanDerWaalsContact CE1-CE 3.49Å; Y63-M68 HydrophobicContact CE1-CG 4.29Å; Y63-M68 HydrophobicContact CE2-CE 4.31Å; Y63-M68 HydrophobicContact CE2-CG 4.03Å; Y63-M68 HydrophobicContact CG-CG 4.17Å; Y63-V71 HydrophobicContact CG-CG2 4.44Å |
| 64 | V | 91.6 | Very high | 82.7 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.236 | 25% | 0.245 | C | C | . | . | trans | -115.7 | 150.9 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | W41 E45 V46 | W41-V64 HydrophobicContact CB-CG2 3.86Å; W41-V64 HydrophobicContact CD2-CB 4.28Å; W41-V64 HydrophobicContact CD2-CG2 3.51Å; W41-V64 HydrophobicContact CE3-CG2 3.75Å; W41-V64 HydrophobicContact CG-CB 4.43Å; W41-V64 HydrophobicContact CG-CG2 3.57Å; E45-V64 HydrophobicContact CB-CG1 4.19Å; V46-V64 HydrophobicContact CG2-CG2 4.06Å | ||
| 65 | G | 84.6 | Confident | 84.2 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 91.5 | -167.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K47 | K47-G65 PolarHBondContact NZ-O 2.91Š|
| 66 | G | 72.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 35.5 Ų | 35.5 | 78% | 0.784 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -91.3 | -19.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 67 | V | 72.3 | Confident | 86.7 | Confident | 95 Ų | 95 | 36.3 Ų | 36.3 | 58% | 0.576 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -122.9 | 134.8 | -175.7 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | Q69 | V67-Q69 HydrophobicContact CB-CG 4.05Å; V67-Q69 HydrophobicContact CG1-CG 3.77Å; V67-Q69 PolarHBondContact O-N 3.16Å |
| 68 | M | 76.3 | Confident | 87 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | trans | -71.3 | 62.8 | 176.7 | -76.6 | -179.4 | -178 | 0 | 0 | 111.4 | K49 Y63 V71 Q120 | K49-M68 HydrophobicContact CB-CE 4.28Å; K49-M68 HydrophobicContact CD-CE 3.5Å; K49-M68 VanDerWaalsContact CD-CE 3.5Å; Y63-M68 HydrophobicContact CD1-CE 4.21Å; Y63-M68 HydrophobicContact CD1-CG 4.27Å; Y63-M68 HydrophobicContact CD2-CG 4.04Å; Y63-M68 HydrophobicContact CE1-CE 3.49Å; Y63-M68 VanDerWaalsContact CE1-CE 3.49Å; Y63-M68 HydrophobicContact CE1-CG 4.29Å; Y63-M68 HydrophobicContact CE2-CE 4.31Å; Y63-M68 HydrophobicContact CE2-CG 4.03Å; Y63-M68 HydrophobicContact CG-CG 4.17Å; M68-V71 HydrophobicContact CB-CG2 3.59Å; M68-V71 HydrophobicContact CG-CG2 4.01Å; M68-Q120 PolarHBondContact O-NE2 2.92Å | ||
| 69 | Q | 77.4 | Confident | 86.4 | Confident | 160 Ų | 160 | 37 Ų | 37 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -86 | -53.2 | -179.5 | -70.2 | -176.2 | -12.2 | 0 | 0 | 112.2 | V67 | V67-Q69 HydrophobicContact CB-CG 4.05Å; V67-Q69 HydrophobicContact CG1-CG 3.77Å; V67-Q69 PolarHBondContact O-N 3.16Å |
| 70 | D | 88.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -109.3 | 102.6 | 172.5 | -174.4 | 14 | 0 | 0 | 0 | 108.1 | R38 W41 | R38-D70 IonicContact CZ-OD1 3.41Å; R38-D70 IonicContact CZ-OD2 3.73Å; R38-D70 IonicContact NE-OD1 2.64Å; R38-D70 PolarHBondContact NE-OD1 3.49Å; R38-D70 IonicContact NE-OD2 3.6Å; R38-D70 PolarHBondContact NE-OD2 3.36Å; R38-D70 IonicContact NH2-OD1 2.77Å; R38-D70 PolarHBondContact NH2-OD1 2.81Å; R38-D70 IonicContact NH2-OD2 3.99Å; W41-D70 WeakPolarHBondContact CH2-O 3.27Å; W41-D70 HydrophobicContact CZ2-CB 4.02Å; W41-D70 WeakPolarHBondContact CZ2-O 3.3Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.32Å |
| 71 | V | 92.9 | Very high | 84.4 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.9 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | C62 Y63 M68 F118 | C62-V71 WeakPolarHBondContact O-CA 3.34Å; Y63-V71 HydrophobicContact CG-CG2 4.44Å; M68-V71 HydrophobicContact CB-CG2 3.59Å; M68-V71 HydrophobicContact CG-CG2 4.01Å; V71-F118 HydrophobicContact CB-CB 3.59Å; V71-F118 HydrophobicContact CB-CD1 4.33Å; V71-F118 HydrophobicContact CB-CG 4.03Å; V71-F118 HydrophobicContact CG1-CB 3.95Å; V71-F118 HydrophobicContact CG1-CG 4.23Å; V71-F118 HydrophobicContact CG2-CB 4.4Å; V71-F118 HydrophobicContact CG2-CD1 4.25Å; V71-F118 HydrophobicContact CG2-CG 4.41Å; V71-F118 PolarHBondContact O-N 3Å |
| 72 | V | 95.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.5 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | I34 L37 R38 W41 C62 V74 Y107 C115 | I34-V72 HydrophobicContact CD1-CB 3.59Å; I34-V72 HydrophobicContact CD1-CG1 3.72Å; I34-V72 HydrophobicContact CD1-CG2 3.99Å; L37-V72 HydrophobicContact CD1-CG1 3.88Å; R38-V72 HydrophobicContact CG-CG2 4.21Å; W41-V72 HydrophobicContact CH2-CG2 4.23Å; W41-V72 HydrophobicContact CZ3-CG2 4.49Å; C62-V72 PolarHBondContact N-O 3.3Å; C62-V72 PolarHBondContact O-N 3.31Å; V72-V74 HydrophobicContact CG1-CG2 4.41Å; V72-Y107 HydrophobicContact CG1-CD2 4.11Å; V72-Y107 HydrophobicContact CG1-CE2 4.42Å; V72-Y107 HydrophobicContact CG2-CD2 4.41Å; V72-Y107 HydrophobicContact CG2-CE2 4.11Å; V72-C115 HydrophobicContact CG1-CB 4.11Å |
| 73 | L | 95.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129 | 169 | -71.3 | 179.1 | 0 | 0 | 0 | 109.1 | F51 L59 L60 C115 Y116 F118 | F51-L73 HydrophobicContact CD2-CD2 4.04Å; F51-L73 HydrophobicContact CE2-CD2 3.61Å; F51-L73 HydrophobicContact CZ-CD2 4.38Å; L59-L73 HydrophobicContact CD1-CB 4.01Å; L59-L73 HydrophobicContact CD1-CD1 4.4Å; L59-L73 HydrophobicContact CD1-CD2 4.12Å; L59-L73 HydrophobicContact CD1-CG 4.41Å; L59-L73 HydrophobicContact CD2-CD1 4.4Å; L59-L73 HydrophobicContact CD2-CD2 4.26Å; L59-L73 HydrophobicContact CG-CD2 4.11Å; L60-L73 CarbonylContact O-C 3.56Å; L73-C115 CarbonylContact O-C 3.58Å; L73-C115 WeakPolarHBondContact O-CA 3.29Å; L73-Y116 HydrophobicContact CB-CD1 4.46Å; L73-Y116 HydrophobicContact CB-CD2 4.21Å; L73-Y116 HydrophobicContact CB-CE1 4.33Å; L73-Y116 HydrophobicContact CB-CE2 4.08Å; L73-Y116 HydrophobicContact CB-CG 4.4Å; L73-Y116 WeakPolarHBondContact CB-O 3.27Å; L73-Y116 HydrophobicContact CD1-CD2 3.9Å; L73-Y116 HydrophobicContact CD1-CE2 3.35Å; L73-Y116 HydrophobicContact CG-CE2 4.36Å; L73-Y116 PolarHBondContact N-O 3.26Å; L73-Y116 PolarHBondContact O-N 3.37Å; L73-F118 HydrophobicContact CD1-CB 4.3Å; L73-F118 HydrophobicContact CD1-CD2 3.99Å; L73-F118 HydrophobicContact CD2-CD2 3.9Å; L73-F118 HydrophobicContact CG-CB 4.05Å; L73-F118 HydrophobicContact CG-CD2 4.05Å |
| 74 | V | 94.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 105.7 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | L21 L33 L60 V72 F110 | L21-V74 HydrophobicContact CD2-CG1 3.69Å; L33-V74 HydrophobicContact CD1-CG1 3.87Å; L60-V74 HydrophobicContact CB-CB 4.32Å; L60-V74 PolarHBondContact N-O 2.91Å; L60-V74 PolarHBondContact O-N 3.46Å; V72-V74 HydrophobicContact CG1-CG2 4.41Å; V74-F110 HydrophobicContact CG1-CE1 3.93Å; V74-F110 HydrophobicContact CG1-CZ 3.86Å |
| 75 | R | 92.4 | Very high | 80.7 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.9 | 177.7 | -168 | -175.6 | 71.4 | 168 | 5.5 | 109.6 | N57 K58 L59 E90 F110 G113 L114 Y116 D237 | N57-R75 HydrophobicContact CB-CG 3.89Å; K58-R75 WeakPolarHBondContact O-CA 3.49Å; L59-R75 HydrophobicContact CD1-CB 3.72Å; L59-R75 HydrophobicContact CD1-CG 4.1Å; R75-E90 IonicContact CZ-OE1 3.9Å; R75-E90 VanDerWaalsContact CZ-OE1 3.26Å; R75-E90 IonicContact NH1-OE1 3.75Å; R75-E90 PolarHBondContact NH1-OE1 3.32Å; R75-E90 IonicContact NH2-OE1 3.15Å; R75-E90 PolarHBondContact NH2-OE1 3.39Å; R75-E90 IonicContact NH2-OE2 3.26Å; R75-E90 PolarHBondContact NH2-OE2 3.35Å; R75-F110 WeakPolarHBondContact O-CZ 3.37Å; R75-G113 CarbonylContact O-C 3.58Å; R75-G113 WeakPolarHBondContact O-CA 3.48Å; R75-L114 HydrophobicContact CB-CD1 4.2Å; R75-L114 PolarHBondContact N-O 3.18Å; R75-L114 PolarHBondContact O-N 3.27Å; R75-Y116 HydrophobicContact CB-CE1 3.71Å; R75-D237 IonicContact CZ-OD1 3.83Å; R75-D237 IonicContact NH1-OD1 2.81Å; R75-D237 PolarHBondContact NH1-OD1 3.03Å |
| 76 | I | 88.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133 | 177.1 | -55.3 | 139.6 | 0 | 0 | 0 | 107.3 | L21 Y26 K58 F110 | L21-I76 HydrophobicContact CB-CG1 4.31Å; L21-I76 HydrophobicContact CD2-CD1 3.86Å; L21-I76 HydrophobicContact CD2-CG1 3.78Å; Y26-I76 HydrophobicContact CD1-CD1 3.46Å; Y26-I76 VanDerWaalsContact CD1-CD1 3.46Å; Y26-I76 HydrophobicContact CE1-CD1 3.62Å; Y26-I76 HydrophobicContact CG-CD1 4.37Å; K58-I76 HydrophobicContact CB-CB 4.36Å; K58-I76 HydrophobicContact CB-CD1 4.19Å; K58-I76 PolarHBondContact N-O 2.74Å; K58-I76 PolarHBondContact O-N 2.62Å; I76-F110 HydrophobicContact CG1-CZ 4.4Å |
| 77 | Y | 86.2 | Confident | 81.4 | Confident | 43 Ų | 43 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -64 | 139.4 | 178.6 | -57 | -40.4 | 0 | 0 | 0 | 110.8 | R87 N112 G113 L114 | Y77-R87 VanDerWaalsContact CD1-CZ 3.47Å; Y77-R87 HydrophobicContact CE2-CG 4.18Å; Y77-N112 PolarHBondContact N-O 2.78Å; Y77-G113 VanDerWaalsContact CE2-N 3.35Å; Y77-L114 HydrophobicContact CE1-CD2 3.94Å; Y77-L114 HydrophobicContact CE1-CG 4.06Å; Y77-L114 WeakPolarHBondContact OH-CD2 3.48Å |
| 78 | G | 75.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 157.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T56 N57 K80 T81 | T56-G78 WeakPolarHBondContact O-CA 3.43Å; T56-G78 PolarHBondContact O-N 3.49Å; N57-G78 PolarHBondContact OD1-N 3Å; G78-K80 PolarHBondContact O-N 3.41Å; G78-T81 WeakPolarHBondContact O-CB 3.45Å; G78-T81 VanDerWaalsContact O-CG2 3.28Å; G78-T81 WeakPolarHBondContact O-CG2 3.48Å; G78-T81 PolarHBondContact O-N 3.06Å; G78-T81 PolarHBondContact O-OG1 3.32Å |
| 79 | N | 68.7 | Low | 82.6 | Confident | 105 Ų | 105 | 49.1 Ų | 49.1 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 133 | 175.5 | -170.4 | 27.1 | 0 | 0 | 0 | 111.2 | T81 | N79-T81 PolarHBondContact O-N 3.29Å; N79-T81 VanDerWaalsContact O-N 3.13Å |
| 80 | K | 69.1 | Low | 83.2 | Confident | 83 Ų | 83 | 41.5 Ų | 41.5 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.4 | 178.4 | -59.7 | -179.1 | -178.6 | 173 | 0 | 116.1 | G78 E82 L83 F328 | G78-K80 PolarHBondContact O-N 3.41Å; K80-E82 WeakPolarHBondContact CA-OE2 3.41Å; K80-E82 PolarHBondContact N-OE2 3Å; K80-E82 PolarHBondContact O-N 2.94Å; K80-L83 HydrophobicContact CB-CD1 4.21Å; K80-L83 WeakPolarHBondContact O-CB 3.38Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å; K80-L83 PolarHBondContact O-N 3.19Å; K80-F328 HydrophobicContact CD-CB 4.16Å; K80-F328 HydrophobicContact CD-CD1 4.38Å |
| 81 | T | 69.7 | Low | 83.3 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -70.7 | -18 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | T56 G78 N79 L83 F84 V85 R87 | T56-T81 HydrophobicContact CG2-CG2 3.23Å; G78-T81 WeakPolarHBondContact O-CB 3.45Å; G78-T81 VanDerWaalsContact O-CG2 3.28Å; G78-T81 WeakPolarHBondContact O-CG2 3.48Å; G78-T81 PolarHBondContact O-N 3.06Å; G78-T81 PolarHBondContact O-OG1 3.32Å; N79-T81 PolarHBondContact O-N 3.29Å; N79-T81 VanDerWaalsContact O-N 3.13Å; T81-L83 PolarHBondContact O-N 2.7Å; T81-L83 VanDerWaalsContact O-N 3.15Å; T81-F84 PolarHBondContact O-N 2.78Å; T81-V85 PolarHBondContact O-N 3.47Å; T81-R87 PolarHBondContact OG1-NH2 3.31Å |
| 82 | E | 71.4 | Confident | 83.2 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -60.8 | -16.3 | 171.8 | 68.2 | -82.3 | -172.2 | 0 | 0 | 113.9 | K80 F84 | K80-E82 WeakPolarHBondContact CA-OE2 3.41Å; K80-E82 PolarHBondContact N-OE2 3Å; K80-E82 PolarHBondContact O-N 2.94Å; E82-F84 PolarHBondContact O-N 3.23Å |
| 83 | L | 69.6 | Low | 83 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.8 | -24.8 | 171.5 | -65.9 | 176.3 | 0 | 0 | 0 | 112.6 | K80 T81 F328 | K80-L83 HydrophobicContact CB-CD1 4.21Å; K80-L83 WeakPolarHBondContact O-CB 3.38Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å; K80-L83 PolarHBondContact O-N 3.19Å; T81-L83 PolarHBondContact O-N 2.7Å; T81-L83 VanDerWaalsContact O-N 3.15Å; L83-F328 HydrophobicContact CD1-CD2 4.11Å; L83-F328 HydrophobicContact CD1-CG 4.29Å |
| 84 | F | 74.3 | Confident | 82.8 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -31.6 | -171.1 | -50.5 | -74.6 | 0 | 0 | 0 | 112.7 | T81 E82 Y167 W321 I324 Q325 | T81-F84 PolarHBondContact O-N 2.78Å; E82-F84 PolarHBondContact O-N 3.23Å; F84-Y167 HydrophobicContact CB-CE1 4.44Å; F84-Y167 HydrophobicContact CD1-CD1 4.32Å; F84-Y167 AromaticContact CD1-CE1 3.69Å; F84-Y167 HydrophobicContact CD1-CE1 3.69Å; F84-Y167 HydrophobicContact CD1-CE2 4.31Å; F84-Y167 AromaticContact CD1-CZ 3.68Å; F84-W321 AromaticContact CD1-CD1 3.99Å; F84-I324 HydrophobicContact CE1-CB 3.77Å; F84-I324 HydrophobicContact CE1-CD1 3.77Å; F84-I324 HydrophobicContact CE1-CG1 4.4Å; F84-I324 HydrophobicContact CE1-CG2 3.55Å; F84-I324 HydrophobicContact CZ-CB 3.79Å; F84-I324 HydrophobicContact CZ-CG2 3.34Å; F84-Q325 HydrophobicContact CZ-CG 4.44Å |
| 85 | V | 78.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | trans | -112.7 | 123.1 | -169.4 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | T81 R87 E239 | T81-V85 PolarHBondContact O-N 3.47Å; V85-R87 PolarHBondContact O-N 3.27Å; V85-E239 HydrophobicContact CG1-CB 3.97Å; V85-E239 HydrophobicContact CG2-CB 4.21Å; V85-E239 HydrophobicContact CG2-CG 4.28Å | ||
| 86 | D | 85.3 | Confident | 82.6 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | trans | -82.6 | 105.5 | 165.9 | -178.1 | -25.1 | 0 | 0 | 0 | 109.4 | E88 N89 E90 | D86-E88 VanDerWaalsContact C-N 3.3Å; D86-E88 PolarHBondContact O-N 3.05Å; D86-E88 WeakPolarHBondContact OD1-CB 3.4Å; D86-E88 PolarHBondContact OD1-N 3.18Å; D86-N89 HydrophobicContact CB-CB 3.82Å; D86-N89 PolarHBondContact O-N 3.46Å; D86-N89 PolarHBondContact OD1-N 3.42Å; D86-E90 PolarHBondContact O-N 2.98Å | ||
| 87 | R | 86.6 | Confident | 82.8 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 16% | 0.158 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -28.7 | -177.3 | -59.1 | -57.3 | 178.8 | -171.1 | -4.6 | 113.3 | Y77 T81 V85 E90 V91 E239 | Y77-R87 VanDerWaalsContact CD1-CZ 3.47Å; Y77-R87 HydrophobicContact CE2-CG 4.18Å; T81-R87 PolarHBondContact OG1-NH2 3.31Å; V85-R87 PolarHBondContact O-N 3.27Å; R87-E90 WeakPolarHBondContact CD-OE2 3.33Å; R87-E90 IonicContact CZ-OE2 2.78Å; R87-E90 IonicContact NH1-OE1 2.99Å; R87-E90 IonicContact NH1-OE2 3.91Å; R87-E90 PolarHBondContact NH1-OE2 3.07Å; R87-V91 WeakPolarHBondContact O-CG2 3.38Å; R87-V91 PolarHBondContact O-N 3.45Å; R87-E239 IonicContact NH1-OE2 2.62Å |
| 88 | E | 86.8 | Confident | 83 | Confident | 137 Ų | 137 | 45.5 Ų | 45.5 | 64% | 0.64 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -71.7 | -43.3 | 174.4 | -66.7 | -169.5 | -178 | 0 | 0 | 110.7 | D86 E90 V91 K92 | D86-E88 VanDerWaalsContact C-N 3.3Å; D86-E88 PolarHBondContact O-N 3.05Å; D86-E88 WeakPolarHBondContact OD1-CB 3.4Å; D86-E88 PolarHBondContact OD1-N 3.18Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E88-V91 PolarHBondContact O-N 3.42Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.43Å; E88-K92 PolarHBondContact O-N 3.41Å; E88-K92 IonicContact OE2-NZ 3.55Å |
| 89 | N | 87.7 | Confident | 83.8 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.8 | -175.8 | 67 | 0 | 0 | 0 | 111.2 | D86 V91 K92 S93 A241 | D86-N89 HydrophobicContact CB-CB 3.82Å; D86-N89 PolarHBondContact O-N 3.46Å; D86-N89 PolarHBondContact OD1-N 3.42Å; N89-V91 PolarHBondContact O-N 3.43Å; N89-K92 PolarHBondContact O-N 2.79Å; N89-K92 VanDerWaalsContact O-N 3.15Å; N89-S93 PolarHBondContact O-N 2.94Å; N89-S93 PolarHBondContact O-OG 3.22Å; N89-S93 VanDerWaalsContact O-OG 3.07Å; N89-A241 PolarHBondContact ND2-O 3.03Å |
| 90 | E | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.7 | -48.4 | 175 | 173 | 170.4 | -138.6 | 0 | 0 | 112.3 | R75 D86 R87 E88 K92 S93 F94 E239 | R75-E90 IonicContact CZ-OE1 3.9Å; R75-E90 VanDerWaalsContact CZ-OE1 3.26Å; R75-E90 IonicContact NH1-OE1 3.75Å; R75-E90 PolarHBondContact NH1-OE1 3.32Å; R75-E90 IonicContact NH2-OE1 3.15Å; R75-E90 PolarHBondContact NH2-OE1 3.39Å; R75-E90 IonicContact NH2-OE2 3.26Å; R75-E90 PolarHBondContact NH2-OE2 3.35Å; D86-E90 PolarHBondContact O-N 2.98Å; R87-E90 WeakPolarHBondContact CD-OE2 3.33Å; R87-E90 IonicContact CZ-OE2 2.78Å; R87-E90 IonicContact NH1-OE1 2.99Å; R87-E90 IonicContact NH1-OE2 3.91Å; R87-E90 PolarHBondContact NH1-OE2 3.07Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 2.71Å; E90-S93 WeakPolarHBondContact O-CB 3.45Å; E90-S93 PolarHBondContact O-N 2.79Å; E90-F94 WeakPolarHBondContact O-CB 3.32Å; E90-F94 PolarHBondContact O-N 3.02Å; E90-E239 WeakPolarHBondContact OE1-CA 3.45Å; E90-E239 VanDerWaalsContact OE1-CB 3.29Å; E90-E239 WeakPolarHBondContact OE1-CB 3.28Å |
| 91 | V | 90.7 | Very high | 85.9 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 178.7 | 173 | 0 | 0 | 0 | 0 | 111.3 | R87 E88 N89 F94 R95 L106 T109 L114 | R87-V91 WeakPolarHBondContact O-CG2 3.38Å; R87-V91 PolarHBondContact O-N 3.45Å; E88-V91 PolarHBondContact O-N 3.42Å; N89-V91 PolarHBondContact O-N 3.43Å; V91-F94 PolarHBondContact O-N 2.85Å; V91-R95 HydrophobicContact CG1-CG 4.5Å; V91-R95 WeakPolarHBondContact O-CB 3.36Å; V91-R95 VanDerWaalsContact O-CG 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.42Å; V91-R95 PolarHBondContact O-N 3Å; V91-L106 HydrophobicContact CG1-CD2 4.23Å; V91-T109 HydrophobicContact CG1-CG2 4.31Å; V91-T109 HydrophobicContact CG2-CG2 3.7Å; V91-L114 HydrophobicContact CG2-CD2 4.47Å |
| 92 | K | 90.6 | Very high | 87 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.3 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.5 | -69.9 | 168.6 | -173.7 | 162.9 | 0 | 111.6 | I5 V7 E88 N89 E90 R95 T96 | I5-K92 HydrophobicContact CB-CB 4.2Å; I5-K92 HydrophobicContact CG2-CB 4.27Å; V7-K92 HydrophobicContact CG2-CB 3.77Å; V7-K92 HydrophobicContact CG2-CG 3.82Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.43Å; E88-K92 PolarHBondContact O-N 3.41Å; E88-K92 IonicContact OE2-NZ 3.55Å; N89-K92 PolarHBondContact O-N 2.79Å; N89-K92 VanDerWaalsContact O-N 3.15Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 2.71Å; K92-R95 PolarHBondContact O-N 3.06Å; K92-T96 WeakPolarHBondContact O-CB 3.35Å; K92-T96 PolarHBondContact O-N 3.27Å; K92-T96 PolarHBondContact O-OG1 3.47Å |
| 93 | S | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.6 | -55.9 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | I5 N89 E90 R95 T96 L97 A241 | I5-S93 WeakPolarHBondContact CD1-OG 3.49Å; N89-S93 PolarHBondContact O-N 2.94Å; N89-S93 PolarHBondContact O-OG 3.22Å; N89-S93 VanDerWaalsContact O-OG 3.07Å; E90-S93 WeakPolarHBondContact O-CB 3.45Å; E90-S93 PolarHBondContact O-N 2.79Å; S93-R95 PolarHBondContact O-N 2.86Å; S93-T96 PolarHBondContact O-N 2.94Å; S93-T96 VanDerWaalsContact O-N 3.16Å; S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 WeakPolarHBondContact O-CD1 3.22Å; S93-L97 WeakPolarHBondContact O-CG 3.44Å; S93-L97 PolarHBondContact O-N 2.9Å; S93-A241 PolarHBondContact OG-O 3.34Å |
| 94 | F | 91.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -49.3 | -177.1 | -154.6 | 149.4 | 0 | 0 | 0 | 111.4 | E90 V91 T96 L97 H98 A103 P104 L106 L114 Y116 Y238 | E90-F94 WeakPolarHBondContact O-CB 3.32Å; E90-F94 PolarHBondContact O-N 3.02Å; V91-F94 PolarHBondContact O-N 2.85Å; F94-T96 PolarHBondContact O-N 3.38Å; F94-L97 PolarHBondContact O-N 3.3Å; F94-H98 WeakPolarHBondContact O-CB 3.28Å; F94-H98 PolarHBondContact O-N 3.42Å; F94-A103 HydrophobicContact CD2-CB 3.75Å; F94-A103 HydrophobicContact CE2-CB 3.8Å; F94-P104 HydrophobicContact CE2-CG 3.94Å; F94-P104 VanDerWaalsContact CE2-O 3.25Å; F94-P104 WeakPolarHBondContact CE2-O 3.34Å; F94-P104 HydrophobicContact CZ-CG 3.93Å; F94-L106 HydrophobicContact CB-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CD1 4.07Å; F94-L106 HydrophobicContact CD1-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CG 4.47Å; F94-L106 HydrophobicContact CD2-CB 4.06Å; F94-L106 HydrophobicContact CE1-CD1 3.98Å; F94-L106 HydrophobicContact CE2-CB 4.12Å; F94-L106 HydrophobicContact CG-CB 4.27Å; F94-L106 HydrophobicContact CG-CD2 4.03Å; F94-L106 HydrophobicContact CZ-CB 4.36Å; F94-L106 HydrophobicContact CZ-CD1 4.45Å; F94-L114 HydrophobicContact CE1-CD1 4.3Å; F94-Y116 HydrophobicContact CE1-CD1 4.14Å; F94-Y116 HydrophobicContact CE1-CG 4.04Å; F94-Y116 HydrophobicContact CZ-CD1 4.36Å; F94-Y116 HydrophobicContact CZ-CD2 4.03Å; F94-Y116 AromaticContact CZ-CG 3.79Å; F94-Y116 HydrophobicContact CZ-CG 3.79Å; F94-Y238 HydrophobicContact CB-CD2 4.28Å; F94-Y238 AromaticContact CD1-CD2 3.93Å; F94-Y238 HydrophobicContact CD1-CD2 3.93Å; F94-Y238 HydrophobicContact CD1-CE2 4.36Å; F94-Y238 AromaticContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CD2-CD2 3.99Å; F94-Y238 AromaticContact CD2-CE2 3.84Å; F94-Y238 HydrophobicContact CD2-CE2 3.84Å; F94-Y238 HydrophobicContact CE1-CD2 4.22Å; F94-Y238 HydrophobicContact CE1-CE2 4.3Å; F94-Y238 HydrophobicContact CE2-CD2 4.26Å; F94-Y238 AromaticContact CE2-CE2 3.75Å; F94-Y238 HydrophobicContact CE2-CE2 3.75Å; F94-Y238 AromaticContact CG-CD2 3.81Å; F94-Y238 HydrophobicContact CG-CD2 3.81Å; F94-Y238 HydrophobicContact CG-CE2 4.14Å; F94-Y238 HydrophobicContact CZ-CD2 4.37Å; F94-Y238 HydrophobicContact CZ-CE2 4Å |
| 95 | R | 91.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 179.2 | -71.7 | 179.8 | 71.8 | -148.4 | -6.8 | 112.5 | V7 A11 P12 V14 V91 K92 S93 H98 A99 L106 | V7-R95 HydrophobicContact CG1-CB 3.82Å; V7-R95 HydrophobicContact CG2-CB 4.32Å; A11-R95 PolarHBondContact O-NH2 3.13Å; P12-R95 PolarHBondContact O-NE 3.47Å; P12-R95 PolarHBondContact O-NH2 2.72Å; V14-R95 HydrophobicContact CG2-CG 3.65Å; V91-R95 HydrophobicContact CG1-CG 4.5Å; V91-R95 WeakPolarHBondContact O-CB 3.36Å; V91-R95 VanDerWaalsContact O-CG 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.42Å; V91-R95 PolarHBondContact O-N 3Å; K92-R95 PolarHBondContact O-N 3.06Å; S93-R95 PolarHBondContact O-N 2.86Å; R95-H98 PolarHBondContact O-N 3.3Å; R95-A99 PolarHBondContact O-N 2.84Å; R95-L106 HydrophobicContact CG-CD2 4.31Å |
| 96 | T | 91.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 179 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | I5 K92 S93 F94 A99 H100 I148 L214 | I5-T96 HydrophobicContact CG2-CG2 4.25Å; I5-T96 VanDerWaalsContact CG2-OG1 3.25Å; I5-T96 WeakPolarHBondContact CG2-OG1 3.38Å; K92-T96 WeakPolarHBondContact O-CB 3.35Å; K92-T96 PolarHBondContact O-N 3.27Å; K92-T96 PolarHBondContact O-OG1 3.47Å; S93-T96 PolarHBondContact O-N 2.94Å; S93-T96 VanDerWaalsContact O-N 3.16Å; F94-T96 PolarHBondContact O-N 3.38Å; T96-A99 PolarHBondContact O-N 3.45Å; T96-H100 PolarHBondContact O-N 3.25Å; T96-H100 PolarHBondContact O-ND1 3.44Å; T96-I148 HydrophobicContact CG2-CG2 4.05Å; T96-L214 HydrophobicContact CG2-CD2 4.31Å |
| 97 | L | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 177.6 | -64.9 | 167 | 0 | 0 | 0 | 112.1 | S93 F94 H100 R101 C102 A103 Y145 I148 L214 Y238 | S93-L97 WeakPolarHBondContact O-CB 3.45Å; S93-L97 WeakPolarHBondContact O-CD1 3.22Å; S93-L97 WeakPolarHBondContact O-CG 3.44Å; S93-L97 PolarHBondContact O-N 2.9Å; F94-L97 PolarHBondContact O-N 3.3Å; L97-H100 CarbonylContact O-C 3.35Å; L97-H100 PolarHBondContact O-N 3.12Å; L97-R101 PolarHBondContact O-N 3.27Å; L97-C102 HydrophobicContact CB-CB 4.23Å; L97-C102 HydrophobicContact CD2-CB 4.12Å; L97-C102 WeakPolarHBondContact O-CA 3.4Å; L97-C102 PolarHBondContact O-N 2.87Å; L97-A103 HydrophobicContact CB-CB 3.51Å; L97-A103 PolarHBondContact O-N 2.87Å; L97-Y145 HydrophobicContact CD1-CE2 3.58Å; L97-Y145 WeakPolarHBondContact CD1-OH 3.25Å; L97-Y145 HydrophobicContact CD2-CD1 4.04Å; L97-Y145 HydrophobicContact CD2-CD2 3.6Å; L97-Y145 HydrophobicContact CD2-CE1 3.71Å; L97-Y145 HydrophobicContact CD2-CE2 3.22Å; L97-Y145 HydrophobicContact CD2-CG 4Å; L97-Y145 HydrophobicContact CG-CE2 3.98Å; L97-I148 HydrophobicContact CD2-CD1 3.7Å; L97-L214 HydrophobicContact CD2-CD2 3.95Å; L97-Y238 HydrophobicContact CD1-CD1 3.5Å; L97-Y238 HydrophobicContact CD1-CD2 4.26Å; L97-Y238 HydrophobicContact CD1-CE1 3.86Å; L97-Y238 HydrophobicContact CD1-CG 3.72Å |
| 98 | H | 92 | Very high | 91.7 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 177.2 | -179.3 | 56.9 | 0 | 0 | 0 | 111.2 | F94 R95 H100 R101 A103 P104 R105 | F94-H98 WeakPolarHBondContact O-CB 3.28Å; F94-H98 PolarHBondContact O-N 3.42Å; R95-H98 PolarHBondContact O-N 3.3Å; H98-H100 PolarHBondContact O-N 2.98Å; H98-H100 VanDerWaalsContact O-N 3.16Å; H98-R101 PolarHBondContact O-N 3.45Å; H98-A103 HydrophobicContact CB-CB 4.32Å; H98-A103 PolarHBondContact ND1-O 2.78Å; H98-A103 VanDerWaalsContact ND1-O 3.09Å; H98-P104 PolarHBondContact ND1-O 3.06Å; H98-R105 VanDerWaalsContact CE1-CA 3.42Å; H98-R105 WeakPolarHBondContact CE1-CA 3.16Å |
| 99 | A | 91.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 36% | 0.355 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.4 | -30.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | P8 A11 R95 T96 | P8-A99 HydrophobicContact CG-CB 3.99Å; A11-A99 HydrophobicContact CB-CB 4.09Å; R95-A99 PolarHBondContact O-N 2.84Å; T96-A99 PolarHBondContact O-N 3.45Å |
| 100 | H | 91.3 | Very high | 92.5 | Very high | 59 Ų | 59 | 35.3 Ų | 35.3 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10.5 | 177 | -64.9 | 81.2 | 0 | 0 | 0 | 114 | T96 L97 H98 C102 K144 I148 H151 | T96-H100 PolarHBondContact O-N 3.25Å; T96-H100 PolarHBondContact O-ND1 3.44Å; L97-H100 CarbonylContact O-C 3.35Å; L97-H100 PolarHBondContact O-N 3.12Å; H98-H100 PolarHBondContact O-N 2.98Å; H98-H100 VanDerWaalsContact O-N 3.16Å; H100-C102 PolarHBondContact O-N 3.35Å; H100-K144 WeakPolarHBondContact O-CE 3.37Å; H100-K144 PolarHBondContact O-NZ 3.48Å; H100-I148 HydrophobicContact CB-CD1 3.58Å; H100-I148 HydrophobicContact CB-CG1 3.85Å; H100-H151 AromaticContact CE1-CE1 3.57Å; H100-H151 AromaticContact CE1-NE2 3.21Å; H100-H151 PolarHBondContact CE1-NE2 3.42Å; H100-H151 AromaticContact NE2-CE1 3.69Å; H100-H151 AromaticContact NE2-NE2 3.72Å |
| 101 | R | 91.4 | Very high | 92.6 | Very high | 211 Ų | 211 | 38.4 Ų | 38.4 | 80% | 0.796 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.6 | -177.4 | -48.3 | 178.8 | -177.8 | -173.3 | -0 | 112.6 | L97 H98 K144 | L97-R101 PolarHBondContact O-N 3.27Å; H98-R101 PolarHBondContact O-N 3.45Å; R101-K144 PolarHBondContact O-NZ 3.5Å |
| 102 | C | 92.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -107 | -10.7 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | L97 H100 Y145 I148 Y238 | L97-C102 HydrophobicContact CB-CB 4.23Å; L97-C102 HydrophobicContact CD2-CB 4.12Å; L97-C102 WeakPolarHBondContact O-CA 3.4Å; L97-C102 PolarHBondContact O-N 2.87Å; H100-C102 PolarHBondContact O-N 3.35Å; C102-Y145 HydrophobicContact CB-CD2 4.31Å; C102-I148 HydrophobicContact CB-CD1 4.34Å; C102-Y238 PolarHBondContact O-OH 3.49Å |
| 103 | A | 93 | Very high | 92.7 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -131.3 | 153.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F94 L97 H98 Y238 | F94-A103 HydrophobicContact CD2-CB 3.75Å; F94-A103 HydrophobicContact CE2-CB 3.8Å; L97-A103 HydrophobicContact CB-CB 3.51Å; L97-A103 PolarHBondContact O-N 2.87Å; H98-A103 HydrophobicContact CB-CB 4.32Å; H98-A103 PolarHBondContact ND1-O 2.78Å; H98-A103 VanDerWaalsContact ND1-O 3.09Å; A103-Y238 WeakPolarHBondContact CA-OH 3.27Å; A103-Y238 HydrophobicContact CB-CD2 4.45Å; A103-Y238 HydrophobicContact CB-CE1 4.47Å; A103-Y238 HydrophobicContact CB-CE2 3.49Å; A103-Y238 VanDerWaalsContact CB-CE2 3.49Å; A103-Y238 VanDerWaalsContact CB-OH 3.25Å; A103-Y238 WeakPolarHBondContact CB-OH 3.22Å |
| 104 | P | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -60 | 169.4 | 171.6 | 19.2 | -23.6 | 0 | 0 | 0 | 111.4 | F94 H98 L106 Y116 E117 L119 Y238 | F94-P104 HydrophobicContact CE2-CG 3.94Å; F94-P104 VanDerWaalsContact CE2-O 3.25Å; F94-P104 WeakPolarHBondContact CE2-O 3.34Å; F94-P104 HydrophobicContact CZ-CG 3.93Å; H98-P104 PolarHBondContact ND1-O 3.06Å; P104-L106 PolarHBondContact O-N 3.39Å; P104-Y116 HydrophobicContact CG-CD2 4.09Å; P104-E117 HydrophobicContact CB-CB 3.9Å; P104-E117 HydrophobicContact CB-CG 4.36Å; P104-E117 WeakPolarHBondContact CB-O 3.42Å; P104-L119 HydrophobicContact CB-CD1 4.41Å; P104-L119 HydrophobicContact CB-CD2 3.82Å; P104-L119 HydrophobicContact CB-CG 3.99Å; P104-L119 HydrophobicContact CG-CD1 4.15Å; P104-L119 HydrophobicContact CG-CD2 4.45Å; P104-L119 HydrophobicContact CG-CG 4.14Å; P104-Y238 WeakPolarHBondContact CD-OH 3.5Å | ||
| 105 | R | 92.9 | Very high | 93.1 | Very high | 138 Ų | 138 | 35.3 Ų | 35.3 | 52% | 0.521 | 16% | 0.16 | S | C | . | . | trans | -68.7 | 121 | 173.4 | -173.3 | 170.4 | 176.4 | -176.3 | 1.6 | 111 | H98 Y107 Y116 E117 | H98-R105 VanDerWaalsContact CE1-CA 3.42Å; H98-R105 WeakPolarHBondContact CE1-CA 3.16Å; R105-Y107 HydrophobicContact CB-CE1 4.26Å; R105-Y107 HydrophobicContact CG-CD1 4.03Å; R105-Y107 HydrophobicContact CG-CE1 3.99Å; R105-Y107 PolarHBondContact O-N 2.66Å; R105-Y116 CarbonylContact O-C 3.51Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.3Å; R105-Y116 WeakPolarHBondContact O-CB 3.41Å; R105-E117 HydrophobicContact CB-CB 4.06Å; R105-E117 PolarHBondContact N-OE2 3.21Å; R105-E117 PolarHBondContact O-N 3.22Å | ||
| 106 | L | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.4 | 167.2 | -178.5 | 59.1 | 0 | 0 | 0 | 108.7 | V14 V91 F94 R95 P104 L114 C115 | V14-L106 HydrophobicContact CB-CD2 4.47Å; V14-L106 HydrophobicContact CG1-CD2 3.93Å; V14-L106 HydrophobicContact CG1-CG 3.84Å; V14-L106 HydrophobicContact CG2-CB 4.32Å; V14-L106 HydrophobicContact CG2-CD2 3.89Å; V14-L106 HydrophobicContact CG2-CG 4.02Å; V91-L106 HydrophobicContact CG1-CD2 4.23Å; F94-L106 HydrophobicContact CB-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CD1 4.07Å; F94-L106 HydrophobicContact CD1-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CG 4.47Å; F94-L106 HydrophobicContact CD2-CB 4.06Å; F94-L106 HydrophobicContact CE1-CD1 3.98Å; F94-L106 HydrophobicContact CE2-CB 4.12Å; F94-L106 HydrophobicContact CG-CB 4.27Å; F94-L106 HydrophobicContact CG-CD2 4.03Å; F94-L106 HydrophobicContact CZ-CB 4.36Å; F94-L106 HydrophobicContact CZ-CD1 4.45Å; R95-L106 HydrophobicContact CG-CD2 4.31Å; P104-L106 PolarHBondContact O-N 3.39Å; L106-L114 HydrophobicContact CD1-CB 4.05Å; L106-L114 HydrophobicContact CD1-CD1 4.5Å; L106-C115 WeakPolarHBondContact CD1-O 3.23Å |
| 107 | Y | 95.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -46.3 | -176 | -64.3 | -53.5 | 0 | 0 | 0 | 112.6 | P15 R38 V72 R105 C115 Y116 E117 | P15-Y107 VanDerWaalsContact CD-O 3.31Å; P15-Y107 WeakPolarHBondContact CD-O 3.27Å; P15-Y107 WeakPolarHBondContact CG-O 3.45Å; R38-Y107 PolarHBondContact NH2-OH 3.41Å; R38-Y107 VanDerWaalsContact NH2-OH 3.1Å; V72-Y107 HydrophobicContact CG1-CD2 4.11Å; V72-Y107 HydrophobicContact CG1-CE2 4.42Å; V72-Y107 HydrophobicContact CG2-CD2 4.41Å; V72-Y107 HydrophobicContact CG2-CE2 4.11Å; R105-Y107 HydrophobicContact CB-CE1 4.26Å; R105-Y107 HydrophobicContact CG-CD1 4.03Å; R105-Y107 HydrophobicContact CG-CE1 3.99Å; R105-Y107 PolarHBondContact O-N 2.66Å; Y107-C115 WeakPolarHBondContact CA-O 3.5Å; Y107-C115 WeakPolarHBondContact CB-O 3.33Å; Y107-C115 PolarHBondContact N-O 3.47Å; Y107-Y116 VanDerWaalsContact CD2-C 3.46Å; Y107-Y116 VanDerWaalsContact CE2-C 3.41Å; Y107-E117 HydrophobicContact CE2-CB 4.07Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å |
| 108 | C | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 164.8 | 177.6 | 73.3 | 0 | 0 | 0 | 0 | 111.5 | P15 I17 L37 C115 | P15-C108 HydrophobicContact CG-CB 3.93Å; P15-C108 CarbonylContact O-C 3.54Å; P15-C108 VanDerWaalsContact O-CA 3.26Å; P15-C108 WeakPolarHBondContact O-CA 3.48Å; P15-C108 VanDerWaalsContact O-CB 3.27Å; P15-C108 WeakPolarHBondContact O-CB 3.49Å; I17-C108 HydrophobicContact CD1-CB 3.87Å; I17-C108 HydrophobicContact CG1-CB 4.03Å; L37-C108 HydrophobicContact CD2-CB 4.18Å; C108-C115 PolarHBondContact N-O 2.81Å; C108-C115 PolarHBondContact O-N 3.24Å |
| 109 | T | 95.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 158.5 | 159.8 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | V14 P15 K16 I17 V91 L114 | V14-T109 HydrophobicContact CG1-CG2 4.11Å; P15-T109 PolarHBondContact O-N 2.72Å; K16-T109 WeakPolarHBondContact CA-O 3.31Å; I17-T109 PolarHBondContact N-O 2.71Å; V91-T109 HydrophobicContact CG1-CG2 4.31Å; V91-T109 HydrophobicContact CG2-CG2 3.7Å; T109-L114 HydrophobicContact CG2-CB 4.37Å |
| 110 | F | 95.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 178.6 | 171.9 | 60.4 | -92.8 | 0 | 0 | 0 | 109.7 | I17 V19 L21 L33 V74 R75 I76 N112 G113 | I17-F110 WeakPolarHBondContact O-CA 3.01Å; I17-F110 WeakPolarHBondContact O-CB 3.23Å; V19-F110 WeakPolarHBondContact O-CB 3.18Å; L21-F110 HydrophobicContact CD1-CD2 4.28Å; L21-F110 HydrophobicContact CD1-CE2 4Å; L21-F110 HydrophobicContact CD1-CZ 4.47Å; L33-F110 HydrophobicContact CD1-CD1 3.74Å; L33-F110 HydrophobicContact CD1-CD2 4.48Å; L33-F110 HydrophobicContact CD1-CE1 3.79Å; L33-F110 HydrophobicContact CD1-CG 4.1Å; L33-F110 HydrophobicContact CD1-CZ 4.21Å; L33-F110 HydrophobicContact CD2-CB 3.98Å; L33-F110 HydrophobicContact CD2-CD1 4.13Å; L33-F110 HydrophobicContact CD2-CG 4.19Å; V74-F110 HydrophobicContact CG1-CE1 3.93Å; V74-F110 HydrophobicContact CG1-CZ 3.86Å; R75-F110 WeakPolarHBondContact O-CZ 3.37Å; I76-F110 HydrophobicContact CG1-CZ 4.4Å; F110-N112 VanDerWaalsContact CD2-OD1 3.31Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.34Å; F110-N112 VanDerWaalsContact CE2-OD1 3.25Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.42Å; F110-N112 PolarHBondContact O-N 3.14Å; F110-N112 VanDerWaalsContact O-N 3.1Å; F110-G113 VanDerWaalsContact CD1-C 3.5Å; F110-G113 VanDerWaalsContact CE2-CA 3.45Å; F110-G113 VanDerWaalsContact CE2-N 3.3Å; F110-G113 PolarHBondContact N-O 3.29Å; F110-G113 PolarHBondContact O-N 2.67Å |
| 111 | N | 92.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 38 Ų | 38 | 35% | 0.348 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.8 | -164.9 | -67.9 | -23.5 | 0 | 0 | 0 | 113.9 | D18 V19 T20 | D18-N111 PolarHBondContact OD1-ND2 2.68Å; V19-N111 WeakPolarHBondContact O-CB 3.3Å; V19-N111 PolarHBondContact O-N 3.48Å; T20-N111 WeakPolarHBondContact OG1-CB 3.39Å; T20-N111 PolarHBondContact OG1-ND2 2.97Å; T20-N111 VanDerWaalsContact OG1-ND2 3.11Å |
| 112 | N | 91.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | 31.4 | -179.8 | 64.3 | -29.1 | 0 | 0 | 0 | 113.3 | T20 L21 Y77 F110 | T20-N112 WeakPolarHBondContact CA-OD1 3.34Å; L21-N112 PolarHBondContact N-OD1 3.23Å; L21-N112 PolarHBondContact O-ND2 2.88Å; Y77-N112 PolarHBondContact N-O 2.78Å; F110-N112 VanDerWaalsContact CD2-OD1 3.31Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.34Å; F110-N112 VanDerWaalsContact CE2-OD1 3.25Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.42Å; F110-N112 PolarHBondContact O-N 3.14Å; F110-N112 VanDerWaalsContact O-N 3.1Å |
| 113 | G | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -161.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R75 Y77 F110 | R75-G113 CarbonylContact O-C 3.58Å; R75-G113 WeakPolarHBondContact O-CA 3.48Å; Y77-G113 VanDerWaalsContact CE2-N 3.35Å; F110-G113 VanDerWaalsContact CD1-C 3.5Å; F110-G113 VanDerWaalsContact CE2-CA 3.45Å; F110-G113 VanDerWaalsContact CE2-N 3.3Å; F110-G113 PolarHBondContact N-O 3.29Å; F110-G113 PolarHBondContact O-N 2.67Å |
| 114 | L | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 150.7 | -178.6 | 42.2 | 86.3 | 0 | 0 | 0 | 113.4 | R75 Y77 V91 F94 L106 T109 Y116 | R75-L114 HydrophobicContact CB-CD1 4.2Å; R75-L114 PolarHBondContact N-O 3.18Å; R75-L114 PolarHBondContact O-N 3.27Å; Y77-L114 HydrophobicContact CE1-CD2 3.94Å; Y77-L114 HydrophobicContact CE1-CG 4.06Å; Y77-L114 WeakPolarHBondContact OH-CD2 3.48Å; V91-L114 HydrophobicContact CG2-CD2 4.47Å; F94-L114 HydrophobicContact CE1-CD1 4.3Å; L106-L114 HydrophobicContact CD1-CB 4.05Å; L106-L114 HydrophobicContact CD1-CD1 4.5Å; T109-L114 HydrophobicContact CG2-CB 4.37Å; L114-Y116 HydrophobicContact CD1-CD1 3.5Å; L114-Y116 VanDerWaalsContact CD1-CD1 3.5Å; L114-Y116 HydrophobicContact CD1-CE1 3.58Å |
| 115 | C | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.8 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 111 | L37 V72 L73 L106 Y107 C108 | L37-C115 HydrophobicContact CD1-CB 3.65Å; V72-C115 HydrophobicContact CG1-CB 4.11Å; L73-C115 CarbonylContact O-C 3.58Å; L73-C115 WeakPolarHBondContact O-CA 3.29Å; L106-C115 WeakPolarHBondContact CD1-O 3.23Å; Y107-C115 WeakPolarHBondContact CA-O 3.5Å; Y107-C115 WeakPolarHBondContact CB-O 3.33Å; Y107-C115 PolarHBondContact N-O 3.47Å; C108-C115 PolarHBondContact N-O 2.81Å; C108-C115 PolarHBondContact O-N 3.24Å |
| 116 | Y | 95.3 | Very high | 93 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 168 | -177.9 | 57.9 | -83.8 | 0 | 0 | 0 | 112.8 | L59 L73 R75 F94 P104 R105 Y107 L114 | L59-Y116 HydrophobicContact CD1-CE1 4.41Å; L59-Y116 WeakPolarHBondContact CD1-OH 3.48Å; L73-Y116 HydrophobicContact CB-CD1 4.46Å; L73-Y116 HydrophobicContact CB-CD2 4.21Å; L73-Y116 HydrophobicContact CB-CE1 4.33Å; L73-Y116 HydrophobicContact CB-CE2 4.08Å; L73-Y116 HydrophobicContact CB-CG 4.4Å; L73-Y116 WeakPolarHBondContact CB-O 3.27Å; L73-Y116 HydrophobicContact CD1-CD2 3.9Å; L73-Y116 HydrophobicContact CD1-CE2 3.35Å; L73-Y116 HydrophobicContact CG-CE2 4.36Å; L73-Y116 PolarHBondContact N-O 3.26Å; L73-Y116 PolarHBondContact O-N 3.37Å; R75-Y116 HydrophobicContact CB-CE1 3.71Å; F94-Y116 HydrophobicContact CE1-CD1 4.14Å; F94-Y116 HydrophobicContact CE1-CG 4.04Å; F94-Y116 HydrophobicContact CZ-CD1 4.36Å; F94-Y116 HydrophobicContact CZ-CD2 4.03Å; F94-Y116 AromaticContact CZ-CG 3.79Å; F94-Y116 HydrophobicContact CZ-CG 3.79Å; P104-Y116 HydrophobicContact CG-CD2 4.09Å; R105-Y116 CarbonylContact O-C 3.51Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.3Å; R105-Y116 WeakPolarHBondContact O-CB 3.41Å; Y107-Y116 VanDerWaalsContact CD2-C 3.46Å; Y107-Y116 VanDerWaalsContact CE2-C 3.41Å; L114-Y116 HydrophobicContact CD1-CD1 3.5Å; L114-Y116 VanDerWaalsContact CD1-CD1 3.5Å; L114-Y116 HydrophobicContact CD1-CE1 3.58Å |
| 117 | E | 94.5 | Very high | 92.8 | Very high | 71 Ų | 71 | 36.5 Ų | 36.5 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.7 | 179.3 | 171.4 | -174.8 | -151.1 | 0 | 0 | 111.7 | P104 R105 Y107 | P104-E117 HydrophobicContact CB-CB 3.9Å; P104-E117 HydrophobicContact CB-CG 4.36Å; P104-E117 WeakPolarHBondContact CB-O 3.42Å; R105-E117 HydrophobicContact CB-CB 4.06Å; R105-E117 PolarHBondContact N-OE2 3.21Å; R105-E117 PolarHBondContact O-N 3.22Å; Y107-E117 HydrophobicContact CE2-CB 4.07Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å |
| 118 | F | 92.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 126.2 | 169.2 | -179.5 | -103.9 | 0 | 0 | 0 | 110.8 | F51 V71 L73 | F51-F118 AromaticContact CE1-CE2 3.96Å; F51-F118 HydrophobicContact CE1-CE2 3.96Å; F51-F118 HydrophobicContact CZ-CD2 4.21Å; F51-F118 AromaticContact CZ-CE2 3.67Å; F51-F118 HydrophobicContact CZ-CE2 3.67Å; F51-F118 HydrophobicContact CZ-CZ 4.46Å; V71-F118 HydrophobicContact CB-CB 3.59Å; V71-F118 HydrophobicContact CB-CD1 4.33Å; V71-F118 HydrophobicContact CB-CG 4.03Å; V71-F118 HydrophobicContact CG1-CB 3.95Å; V71-F118 HydrophobicContact CG1-CG 4.23Å; V71-F118 HydrophobicContact CG2-CB 4.4Å; V71-F118 HydrophobicContact CG2-CD1 4.25Å; V71-F118 HydrophobicContact CG2-CG 4.41Å; V71-F118 PolarHBondContact O-N 3Å; L73-F118 HydrophobicContact CD1-CB 4.3Å; L73-F118 HydrophobicContact CD1-CD2 3.99Å; L73-F118 HydrophobicContact CD2-CD2 3.9Å; L73-F118 HydrophobicContact CG-CB 4.05Å; L73-F118 HydrophobicContact CG-CD2 4.05Å |
| 119 | L | 91.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 122.3 | 172.9 | -65.6 | -177.9 | 0 | 0 | 0 | 110.2 | P104 G121 I225 K234 I236 | P104-L119 HydrophobicContact CB-CD1 4.41Å; P104-L119 HydrophobicContact CB-CD2 3.82Å; P104-L119 HydrophobicContact CB-CG 3.99Å; P104-L119 HydrophobicContact CG-CD1 4.15Å; P104-L119 HydrophobicContact CG-CD2 4.45Å; P104-L119 HydrophobicContact CG-CG 4.14Å; L119-G121 PolarHBondContact O-N 3.16Å; L119-I225 HydrophobicContact CB-CG2 4.3Å; L119-K234 HydrophobicContact CD1-CB 3.7Å; L119-K234 HydrophobicContact CD1-CD 3.79Å; L119-K234 HydrophobicContact CD1-CG 4.41Å; L119-K234 HydrophobicContact CD2-CD 3.83Å; L119-K234 HydrophobicContact CG-CD 4.42Å; L119-I236 HydrophobicContact CD1-CG2 3.7Å |
| 120 | Q | 90.3 | Very high | 92 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -67 | 128.5 | 172.2 | -60.5 | -62.6 | -25.4 | 0 | 0 | 110.3 | M68 N227 | M68-Q120 PolarHBondContact O-NE2 2.92Å; Q120-N227 PolarHBondContact O-ND2 3.38Å |
| 121 | G | 91.4 | Very high | 91.8 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 150.6 | -172.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 Y226 | L119-G121 PolarHBondContact O-N 3.16Å; G121-Y226 CarbonylContact C-O 3.42Å; G121-Y226 WeakPolarHBondContact CA-O 3.19Å |
| 122 | Q | 91.8 | Very high | 91.6 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 54% | 0.537 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.6 | 176.7 | -173.1 | -178.9 | -24.9 | 0 | 0 | 109.1 | Y226 | Q122-Y226 PolarHBondContact N-O 2.84Å; Q122-Y226 PolarHBondContact O-N 3.07Å |
| 123 | A | 92.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 134.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K222 I224 I225 | A123-K222 HydrophobicContact CB-CD 4.42Å; A123-I224 WeakPolarHBondContact CA-O 3.41Å; A123-I225 HydrophobicContact CB-CD1 3.86Å |
| 124 | L | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | trans | -71.7 | 157 | -179.2 | -64.8 | -172.8 | 0 | 0 | 0 | 111.5 | H128 I129 T134 I138 C221 I224 Y226 | L124-H128 HydrophobicContact CB-CB 4.14Å; L124-H128 HydrophobicContact CD1-CB 4.44Å; L124-H128 HydrophobicContact CD2-CB 3.72Å; L124-H128 HydrophobicContact CG-CB 4.32Å; L124-I129 HydrophobicContact CB-CG2 4.24Å; L124-I129 HydrophobicContact CD1-CG2 3.88Å; L124-T134 HydrophobicContact CD1-CG2 3.52Å; L124-T134 HydrophobicContact CD2-CG2 4.37Å; L124-I138 HydrophobicContact CD1-CD1 4Å; L124-C221 HydrophobicContact CB-CB 4.29Å; L124-C221 WeakPolarHBondContact CB-O 3.3Å; L124-C221 PolarHBondContact N-O 3.03Å; L124-C221 CarbonylContact O-C 3.59Å; L124-I224 HydrophobicContact CB-CB 4.43Å; L124-I224 HydrophobicContact CD1-CB 3.96Å; L124-I224 HydrophobicContact CD1-CG2 3.58Å; L124-I224 HydrophobicContact CG-CB 4.18Å; L124-I224 HydrophobicContact CG-CG2 4.09Å; L124-I224 PolarHBondContact N-O 3.03Å; L124-Y226 HydrophobicContact CD2-CG 4.39Å | ||
| 125 | E | 89.9 | Confident | 91.7 | Very high | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.271 | 25% | 0.25 | S | S | . | . | trans | -114 | 165.1 | 172.7 | -54.3 | -63.8 | 159.5 | 0 | 0 | 108.6 | E127 H128 I129 K222 | E125-E127 VanDerWaalsContact CB-OE2 3.23Å; E125-E127 WeakPolarHBondContact CB-OE2 3.46Å; E125-E127 PolarHBondContact O-N 3.36Å; E125-E127 VanDerWaalsContact O-N 3.13Å; E125-H128 VanDerWaalsContact CB-ND1 3.29Å; E125-H128 WeakPolarHBondContact CB-ND1 3.34Å; E125-H128 PolarHBondContact N-ND1 3.21Å; E125-H128 WeakPolarHBondContact O-CB 3.43Å; E125-H128 PolarHBondContact O-N 3.2Å; E125-I129 PolarHBondContact O-N 3.39Å; E125-K222 IonicContact OE1-NZ 2.99Å; E125-K222 PolarHBondContact OE1-NZ 3.06Å; E125-K222 WeakPolarHBondContact OE2-CE 3.37Å; E125-K222 IonicContact OE2-NZ 3.82Å; E125-K222 PolarHBondContact OE2-NZ 3.09Å | ||
| 126 | P | 88 | Confident | 91.7 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.3 | -33.9 | -179.6 | -28.2 | 37.3 | 0 | 0 | 0 | 114.2 | H128 I129 R130 | P126-H128 VanDerWaalsContact C-N 3.31Å; P126-H128 PolarHBondContact O-N 3.28Å; P126-I129 WeakPolarHBondContact O-CG1 3.45Å; P126-R130 WeakPolarHBondContact O-CD 3.46Å; P126-R130 VanDerWaalsContact O-CG 3.32Å; P126-R130 WeakPolarHBondContact O-CG 3.46Å; P126-R130 PolarHBondContact O-NE 2.87Å |
| 127 | E | 88.6 | Confident | 91.8 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -32.4 | -179.9 | -53.9 | 68.6 | -138.1 | 0 | 0 | 111.7 | E125 R130 | E125-E127 VanDerWaalsContact CB-OE2 3.23Å; E125-E127 WeakPolarHBondContact CB-OE2 3.46Å; E125-E127 PolarHBondContact O-N 3.36Å; E125-E127 VanDerWaalsContact O-N 3.13Å; E127-R130 PolarHBondContact O-N 2.85Å |
| 128 | H | 91.5 | Very high | 92 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -43.1 | -178 | -60.7 | 108.7 | 0 | 0 | 0 | 111.5 | L124 E125 P126 R130 S131 T134 | L124-H128 HydrophobicContact CB-CB 4.14Å; L124-H128 HydrophobicContact CD1-CB 4.44Å; L124-H128 HydrophobicContact CD2-CB 3.72Å; L124-H128 HydrophobicContact CG-CB 4.32Å; E125-H128 VanDerWaalsContact CB-ND1 3.29Å; E125-H128 WeakPolarHBondContact CB-ND1 3.34Å; E125-H128 PolarHBondContact N-ND1 3.21Å; E125-H128 WeakPolarHBondContact O-CB 3.43Å; E125-H128 PolarHBondContact O-N 3.2Å; P126-H128 VanDerWaalsContact C-N 3.31Å; P126-H128 PolarHBondContact O-N 3.28Å; H128-R130 PolarHBondContact O-N 2.81Å; H128-S131 WeakPolarHBondContact O-CB 3.47Å; H128-S131 PolarHBondContact O-N 3.2Å; H128-S131 VanDerWaalsContact O-N 3.14Å; H128-S131 PolarHBondContact O-OG 3.39Å; H128-T134 WeakPolarHBondContact O-CB 3.39Å |
| 129 | I | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -22.7 | -178 | 63.6 | 171.6 | 0 | 0 | 0 | 112.2 | L124 E125 P126 S131 S135 I138 C221 I224 F257 | L124-I129 HydrophobicContact CB-CG2 4.24Å; L124-I129 HydrophobicContact CD1-CG2 3.88Å; E125-I129 PolarHBondContact O-N 3.39Å; P126-I129 WeakPolarHBondContact O-CG1 3.45Å; I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.29Å; I129-S135 PolarHBondContact O-OG 2.9Å; I129-I138 HydrophobicContact CB-CD1 4.2Å; I129-I138 HydrophobicContact CG2-CD1 3.78Å; I129-C221 HydrophobicContact CD1-CB 4.23Å; I129-C221 HydrophobicContact CG2-CB 3.95Å; I129-I224 HydrophobicContact CG2-CD1 4.32Å; I129-F257 HydrophobicContact CB-CE2 4.41Å; I129-F257 HydrophobicContact CB-CZ 4.49Å; I129-F257 HydrophobicContact CD1-CD2 3.65Å; I129-F257 HydrophobicContact CD1-CE2 3.93Å; I129-F257 HydrophobicContact CD1-CG 4.13Å; I129-F257 HydrophobicContact CG1-CD2 4.24Å; I129-F257 HydrophobicContact CG1-CE2 4.24Å; I129-F257 HydrophobicContact CG1-CG 4.47Å; I129-F257 HydrophobicContact CG1-CZ 4.48Å; I129-F257 WeakPolarHBondContact O-CZ 3.09Å |
| 130 | R | 89.3 | Confident | 92.5 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.9 | 175.1 | -64.4 | 168.6 | -162.5 | 166.2 | 6.4 | 113.6 | P126 E127 H128 F257 H267 | P126-R130 WeakPolarHBondContact O-CD 3.46Å; P126-R130 VanDerWaalsContact O-CG 3.32Å; P126-R130 WeakPolarHBondContact O-CG 3.46Å; P126-R130 PolarHBondContact O-NE 2.87Å; E127-R130 PolarHBondContact O-N 2.85Å; H128-R130 PolarHBondContact O-N 2.81Å; R130-F257 HydrophobicContact CG-CD1 3.83Å; R130-F257 HydrophobicContact CG-CE1 4.21Å; R130-F257 PolarHBondContact NE-O 2.88Å; R130-F257 PolarHBondContact NH2-O 3.07Å; R130-H267 PolarHBondContact NH1-CD2 3.42Å; R130-H267 PolarHBondContact NH1-CE1 3.03Å; R130-H267 PolarHBondContact NH1-NE2 3.23Å; R130-H267 VanDerWaalsContact NH1-NE2 3.12Å; R130-H267 PolarHBondContact NH2-CD2 3.32Å |
| 131 | S | 90.7 | Very high | 92.9 | Very high | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -75.7 | 130.6 | 178.5 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | H128 I129 P133 T134 S135 | H128-S131 WeakPolarHBondContact O-CB 3.47Å; H128-S131 PolarHBondContact O-N 3.2Å; H128-S131 VanDerWaalsContact O-N 3.14Å; H128-S131 PolarHBondContact O-OG 3.39Å; I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.29Å; S131-P133 VanDerWaalsContact C-CD 3.48Å; S131-T134 PolarHBondContact O-N 2.91Å; S131-T134 WeakPolarHBondContact OG-CB 3.29Å; S131-T134 PolarHBondContact OG-OG1 2.81Å; S131-S135 VanDerWaalsContact O-CB 3.3Å; S131-S135 WeakPolarHBondContact O-CB 3.4Å; S131-S135 PolarHBondContact O-N 2.92Å |
| 132 | L | 88.4 | Confident | 93.2 | Very high | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.3 | -42.6 | -178.5 | -174.9 | 64.9 | 0 | 0 | 0 | 113.9 | T134 S135 R136 L273 Q276 | L132-T134 PolarHBondContact O-N 3.27Å; L132-S135 PolarHBondContact O-N 3.34Å; L132-R136 WeakPolarHBondContact O-CB 3.22Å; L132-R136 PolarHBondContact O-N 3.27Å; L132-L273 HydrophobicContact CD1-CD1 3.83Å; L132-Q276 HydrophobicContact CD1-CB 4.31Å |
| 133 | P | 92.9 | Very high | 93.5 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 63% | 0.63 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.4 | -46.8 | 178 | -24.1 | 35.4 | 0 | 0 | 0 | 112.8 | S131 R136 L137 | S131-P133 VanDerWaalsContact C-CD 3.48Å; P133-R136 WeakPolarHBondContact O-CB 3.37Å; P133-R136 PolarHBondContact O-N 3.18Å; P133-L137 PolarHBondContact O-N 3.43Å |
| 134 | T | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.4 | -44.1 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 111 | L124 H128 S131 L132 R136 L137 I138 | L124-T134 HydrophobicContact CD1-CG2 3.52Å; L124-T134 HydrophobicContact CD2-CG2 4.37Å; H128-T134 WeakPolarHBondContact O-CB 3.39Å; S131-T134 PolarHBondContact O-N 2.91Å; S131-T134 WeakPolarHBondContact OG-CB 3.29Å; S131-T134 PolarHBondContact OG-OG1 2.81Å; L132-T134 PolarHBondContact O-N 3.27Å; T134-R136 PolarHBondContact O-N 3.15Å; T134-L137 WeakPolarHBondContact O-CB 3.34Å; T134-L137 PolarHBondContact O-N 3.48Å; T134-I138 HydrophobicContact CG2-CD1 4.09Å; T134-I138 WeakPolarHBondContact O-CG1 3.35Å; T134-I138 PolarHBondContact O-N 2.99Å |
| 135 | S | 92.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.1 | -41.8 | 174.3 | -104 | 0 | 0 | 0 | 0 | 112 | I129 S131 L132 I138 A139 W277 | I129-S135 PolarHBondContact O-OG 2.9Å; S131-S135 VanDerWaalsContact O-CB 3.3Å; S131-S135 WeakPolarHBondContact O-CB 3.4Å; S131-S135 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-N 3.34Å; S135-I138 PolarHBondContact O-N 2.9Å; S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 3.38Å; S135-W277 PolarHBondContact O-NE1 3.48Å |
| 136 | R | 95.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 41.1 Ų | 41.1 | 53% | 0.525 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.9 | -165 | -175 | 178.3 | 178.6 | -2 | 112.3 | L132 P133 T134 I138 A139 R140 S280 | L132-R136 WeakPolarHBondContact O-CB 3.22Å; L132-R136 PolarHBondContact O-N 3.27Å; P133-R136 WeakPolarHBondContact O-CB 3.37Å; P133-R136 PolarHBondContact O-N 3.18Å; T134-R136 PolarHBondContact O-N 3.15Å; R136-I138 VanDerWaalsContact C-N 3.32Å; R136-I138 PolarHBondContact O-N 2.9Å; R136-A139 PolarHBondContact O-N 2.84Å; R136-R140 VanDerWaalsContact O-CG 3.3Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.28Å; R136-S280 WeakPolarHBondContact CG-OG 3.32Å |
| 137 | L | 97.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 176 | -64.8 | 175.7 | 0 | 0 | 0 | 111.3 | P133 T134 R140 Q141 Y226 E231 V233 | P133-L137 PolarHBondContact O-N 3.43Å; T134-L137 WeakPolarHBondContact O-CB 3.34Å; T134-L137 PolarHBondContact O-N 3.48Å; L137-R140 PolarHBondContact O-N 3.14Å; L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.37Å; L137-Y226 HydrophobicContact CD1-CD2 4.27Å; L137-Y226 HydrophobicContact CD1-CE2 3.79Å; L137-E231 WeakPolarHBondContact CD2-O 3.41Å; L137-V233 HydrophobicContact CB-CG1 3.98Å; L137-V233 HydrophobicContact CB-CG2 4.04Å; L137-V233 HydrophobicContact CD1-CG1 4.41Å; L137-V233 WeakPolarHBondContact O-CG2 3.41Å |
| 138 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 177.5 | -60.7 | 162.9 | 0 | 0 | 0 | 110.7 | L124 I129 T134 S135 R136 R140 Q141 L142 L219 I224 V233 F235 W277 | L124-I138 HydrophobicContact CD1-CD1 4Å; I129-I138 HydrophobicContact CB-CD1 4.2Å; I129-I138 HydrophobicContact CG2-CD1 3.78Å; T134-I138 HydrophobicContact CG2-CD1 4.09Å; T134-I138 WeakPolarHBondContact O-CG1 3.35Å; T134-I138 PolarHBondContact O-N 2.99Å; S135-I138 PolarHBondContact O-N 2.9Å; R136-I138 VanDerWaalsContact C-N 3.32Å; R136-I138 PolarHBondContact O-N 2.9Å; I138-R140 VanDerWaalsContact C-N 3.34Å; I138-R140 PolarHBondContact O-N 2.87Å; I138-Q141 PolarHBondContact O-N 3.45Å; I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.32Å; I138-L219 HydrophobicContact CG2-CD2 4.15Å; I138-I224 HydrophobicContact CD1-CD1 3.8Å; I138-I224 HydrophobicContact CG1-CD1 4.05Å; I138-I224 HydrophobicContact CG1-CG2 4.22Å; I138-I224 HydrophobicContact CG2-CD1 4.08Å; I138-V233 HydrophobicContact CG1-CG1 4.41Å; I138-V233 HydrophobicContact CG1-CG2 4.27Å; I138-F235 HydrophobicContact CG2-CE1 4.23Å; I138-F235 HydrophobicContact CG2-CZ 4.27Å; I138-W277 HydrophobicContact CG2-CZ2 4.45Å |
| 139 | A | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S135 R136 L142 A143 W277 Y281 | S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 3.38Å; R136-A139 PolarHBondContact O-N 2.84Å; A139-L142 PolarHBondContact O-N 3.34Å; A139-A143 WeakPolarHBondContact O-CB 3.19Å; A139-A143 PolarHBondContact O-N 3.07Å; A139-W277 VanDerWaalsContact CA-CZ2 3.48Å; A139-W277 HydrophobicContact CB-CD2 3.72Å; A139-W277 HydrophobicContact CB-CE3 4.2Å; A139-W277 HydrophobicContact CB-CG 4.12Å; A139-W277 HydrophobicContact CB-CH2 4.24Å; A139-W277 HydrophobicContact CB-CZ2 3.84Å; A139-W277 HydrophobicContact CB-CZ3 4.42Å; A139-Y281 WeakPolarHBondContact O-CD2 3.47Å |
| 140 | R | 97.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 28% | 0.275 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.4 | -38.7 | -179.2 | -64 | -176.1 | 65.4 | 80.6 | 2.5 | 112.4 | R136 L137 I138 A143 K144 S280 A284 E287 | R136-R140 VanDerWaalsContact O-CG 3.3Å; R136-R140 WeakPolarHBondContact O-CG 3.32Å; R136-R140 PolarHBondContact O-N 3.28Å; L137-R140 PolarHBondContact O-N 3.14Å; I138-R140 VanDerWaalsContact C-N 3.34Å; I138-R140 PolarHBondContact O-N 2.87Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 2.87Å; R140-K144 PolarHBondContact O-N 3.5Å; R140-S280 WeakPolarHBondContact CG-OG 3.44Å; R140-A284 HydrophobicContact CB-CB 3.97Å; R140-A284 HydrophobicContact CG-CB 3.86Å; R140-E287 IonicContact CZ-OE2 3.85Å; R140-E287 IonicContact NH1-OE1 3.58Å; R140-E287 IonicContact NH1-OE2 2.79Å; R140-E287 IonicContact NH2-OE1 3.63Å; R140-E287 IonicContact NH2-OE2 3.88Å; R140-E287 PolarHBondContact NH2-OE2 2.98Å |
| 141 | Q | 97.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 176.4 | -178.5 | 61.9 | 15 | 0 | 0 | 112 | L137 I138 K144 Y145 V233 F235 | L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.37Å; I138-Q141 PolarHBondContact O-N 3.45Å; Q141-K144 WeakPolarHBondContact O-CB 3.4Å; Q141-K144 PolarHBondContact O-N 2.98Å; Q141-Y145 PolarHBondContact O-N 2.98Å; Q141-V233 HydrophobicContact CB-CG2 3.66Å; Q141-V233 HydrophobicContact CG-CG2 4.07Å; Q141-V233 WeakPolarHBondContact CG-O 3.34Å; Q141-F235 HydrophobicContact CB-CE1 4.2Å; Q141-F235 HydrophobicContact CB-CE2 4.28Å; Q141-F235 HydrophobicContact CB-CZ 3.73Å; Q141-F235 HydrophobicContact CG-CD1 4.33Å; Q141-F235 HydrophobicContact CG-CD2 4.22Å; Q141-F235 HydrophobicContact CG-CE1 3.84Å; Q141-F235 HydrophobicContact CG-CE2 3.73Å; Q141-F235 HydrophobicContact CG-CG 4.5Å; Q141-F235 HydrophobicContact CG-CZ 3.52Å |
| 142 | L | 98.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -36.9 | 174.9 | -167.3 | 62.3 | 0 | 0 | 0 | 111.8 | I138 A139 K144 Y145 H146 L219 F235 I250 W277 Y281 | I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.32Å; A139-L142 PolarHBondContact O-N 3.34Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 2.99Å; L142-Y145 WeakPolarHBondContact O-CB 3.45Å; L142-Y145 PolarHBondContact O-N 2.98Å; L142-H146 WeakPolarHBondContact CD1-NE2 3.17Å; L142-H146 WeakPolarHBondContact O-CB 3.48Å; L142-H146 PolarHBondContact O-N 3.44Å; L142-L219 HydrophobicContact CD1-CD2 4.01Å; L142-L219 HydrophobicContact CD2-CD2 3.99Å; L142-L219 HydrophobicContact CG-CD2 4.43Å; L142-F235 HydrophobicContact CB-CE2 4Å; L142-F235 HydrophobicContact CB-CZ 4.03Å; L142-F235 HydrophobicContact CD1-CE2 3.76Å; L142-F235 HydrophobicContact CD1-CZ 4.44Å; L142-I250 HydrophobicContact CD2-CG1 4.07Å; L142-W277 HydrophobicContact CD2-CH2 3.96Å; L142-W277 HydrophobicContact CD2-CZ2 4.45Å; L142-Y281 HydrophobicContact CB-CD2 4.48Å; L142-Y281 HydrophobicContact CB-CE2 4.41Å; L142-Y281 HydrophobicContact CG-CE2 4.36Å |
| 143 | A | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A139 R140 Y145 H146 A147 Y281 A284 | A139-A143 WeakPolarHBondContact O-CB 3.19Å; A139-A143 PolarHBondContact O-N 3.07Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 2.87Å; A143-Y145 VanDerWaalsContact C-N 3.33Å; A143-Y145 PolarHBondContact O-N 3.29Å; A143-H146 PolarHBondContact O-N 2.92Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.24Å; A143-Y281 VanDerWaalsContact CA-CE2 3.42Å; A143-Y281 HydrophobicContact CB-CD2 3.74Å; A143-Y281 HydrophobicContact CB-CE2 3.79Å; A143-Y281 HydrophobicContact CB-CG 4.33Å; A143-Y281 VanDerWaalsContact CB-O 3.3Å; A143-Y281 WeakPolarHBondContact CB-O 3.1Å; A143-A284 HydrophobicContact CB-CB 3.67Å |
| 144 | K | 96.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.2 | -173.2 | -172.7 | 172.6 | -166.9 | 0 | 112 | H100 R101 R140 Q141 L142 A147 H288 | H100-K144 WeakPolarHBondContact O-CE 3.37Å; H100-K144 PolarHBondContact O-NZ 3.48Å; R101-K144 PolarHBondContact O-NZ 3.5Å; R140-K144 PolarHBondContact O-N 3.5Å; Q141-K144 WeakPolarHBondContact O-CB 3.4Å; Q141-K144 PolarHBondContact O-N 2.98Å; L142-K144 VanDerWaalsContact C-N 3.34Å; L142-K144 PolarHBondContact O-N 2.99Å; K144-A147 PolarHBondContact O-N 3.13Å; K144-H288 VanDerWaalsContact CA-CD2 3.48Å; K144-H288 WeakPolarHBondContact CA-CD2 3.41Å; K144-H288 WeakPolarHBondContact CB-NE2 3.25Å |
| 145 | Y | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 178.2 | -166.8 | -66.5 | 0 | 0 | 0 | 111 | L97 C102 Q141 L142 A143 A147 I148 L214 C215 F235 Y238 A241 | L97-Y145 HydrophobicContact CD1-CE2 3.58Å; L97-Y145 WeakPolarHBondContact CD1-OH 3.25Å; L97-Y145 HydrophobicContact CD2-CD1 4.04Å; L97-Y145 HydrophobicContact CD2-CD2 3.6Å; L97-Y145 HydrophobicContact CD2-CE1 3.71Å; L97-Y145 HydrophobicContact CD2-CE2 3.22Å; L97-Y145 HydrophobicContact CD2-CG 4Å; L97-Y145 HydrophobicContact CG-CE2 3.98Å; C102-Y145 HydrophobicContact CB-CD2 4.31Å; Q141-Y145 PolarHBondContact O-N 2.98Å; L142-Y145 WeakPolarHBondContact O-CB 3.45Å; L142-Y145 PolarHBondContact O-N 2.98Å; A143-Y145 VanDerWaalsContact C-N 3.33Å; A143-Y145 PolarHBondContact O-N 3.29Å; Y145-A147 VanDerWaalsContact C-N 3.27Å; Y145-A147 PolarHBondContact O-N 3.44Å; Y145-I148 WeakPolarHBondContact O-CB 3.38Å; Y145-I148 WeakPolarHBondContact O-CD1 3.26Å; Y145-I148 VanDerWaalsContact O-CG1 3.29Å; Y145-I148 WeakPolarHBondContact O-CG1 3.44Å; Y145-I148 PolarHBondContact O-N 3.39Å; Y145-L214 VanDerWaalsContact CD1-O 3.23Å; Y145-L214 WeakPolarHBondContact CD1-O 3.5Å; Y145-L214 HydrophobicContact CE1-CD2 4.4Å; Y145-L214 HydrophobicContact CE1-CG 3.88Å; Y145-L214 WeakPolarHBondContact CE1-O 3.26Å; Y145-C215 PolarHBondContact OH-O 3.16Å; Y145-F235 AromaticContact CD2-CD2 3.93Å; Y145-F235 HydrophobicContact CD2-CD2 3.93Å; Y145-F235 HydrophobicContact CD2-CE2 4.49Å; Y145-F235 HydrophobicContact CE2-CD2 4.45Å; Y145-Y238 HydrophobicContact CE2-CD1 4.39Å; Y145-Y238 HydrophobicContact CE2-CE1 4.35Å; Y145-A241 WeakPolarHBondContact OH-CB 3.37Å |
| 146 | H | 96.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -22.8 | -179.8 | -70.4 | 178 | 0 | 0 | 0 | 113.8 | L142 A143 I148 V213 L214 D249 Y281 Y285 | L142-H146 WeakPolarHBondContact CD1-NE2 3.17Å; L142-H146 WeakPolarHBondContact O-CB 3.48Å; L142-H146 PolarHBondContact O-N 3.44Å; A143-H146 PolarHBondContact O-N 2.92Å; H146-I148 PolarHBondContact O-N 3.26Å; H146-V213 HydrophobicContact CB-CB 4.21Å; H146-V213 HydrophobicContact CB-CG2 3.89Å; H146-L214 PolarHBondContact CD2-O 2.95Å; H146-D249 IonicContact CE1-OD2 2.85Å; H146-D249 IonicContact NE2-OD2 3.74Å; H146-D249 PolarHBondContact NE2-OD2 3.12Å; H146-Y281 WeakPolarHBondContact CB-OH 3.19Å; H146-Y281 AromaticContact ND1-CE2 3.56Å; H146-Y281 AromaticContact ND1-CZ 3.53Å; H146-Y281 PolarHBondContact ND1-OH 3.03Å; H146-Y285 HydrophobicContact CB-CD2 4.23Å; H146-Y285 HydrophobicContact CB-CE2 3.99Å |
| 147 | A | 94.7 | Very high | 86.3 | Confident | 12 Ų | 12 | 44 Ų | 44 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | A143 K144 Y145 H149 Y285 H288 K289 | A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.24Å; K144-A147 PolarHBondContact O-N 3.13Å; Y145-A147 VanDerWaalsContact C-N 3.27Å; Y145-A147 PolarHBondContact O-N 3.44Å; A147-H149 PolarHBondContact O-CE1 3.08Å; A147-H149 PolarHBondContact O-N 3.3Å; A147-H149 PolarHBondContact O-ND1 3.29Å; A147-Y285 HydrophobicContact CB-CD2 4.22Å; A147-Y285 HydrophobicContact CB-CE2 4.18Å; A147-H288 HydrophobicContact CB-CB 3.58Å; A147-K289 HydrophobicContact CB-CD 4.29Å; A147-K289 HydrophobicContact CB-CG 4.4Å |
| 148 | I | 91.8 | Very high | 86 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | trans | -67 | 116.7 | 174.4 | -60.6 | 170.1 | 0 | 0 | 0 | 108.6 | T96 L97 H100 C102 Y145 H146 L214 | T96-I148 HydrophobicContact CG2-CG2 4.05Å; L97-I148 HydrophobicContact CD2-CD1 3.7Å; H100-I148 HydrophobicContact CB-CD1 3.58Å; H100-I148 HydrophobicContact CB-CG1 3.85Å; C102-I148 HydrophobicContact CB-CD1 4.34Å; Y145-I148 WeakPolarHBondContact O-CB 3.38Å; Y145-I148 WeakPolarHBondContact O-CD1 3.26Å; Y145-I148 VanDerWaalsContact O-CG1 3.29Å; Y145-I148 WeakPolarHBondContact O-CG1 3.44Å; Y145-I148 PolarHBondContact O-N 3.39Å; H146-I148 PolarHBondContact O-N 3.26Å; I148-L214 HydrophobicContact CB-CD2 4.43Å; I148-L214 HydrophobicContact CG2-CD2 4.21Å | ||
| 149 | H | 80.2 | Confident | 85.6 | Confident | 104 Ų | 104 | 44.9 Ų | 44.9 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | trans | -78.6 | 151.6 | -176.9 | -68.1 | 70.2 | 0 | 0 | 0 | 111.1 | A147 H151 K289 | A147-H149 PolarHBondContact O-CE1 3.08Å; A147-H149 PolarHBondContact O-N 3.3Å; A147-H149 PolarHBondContact O-ND1 3.29Å; H149-H151 PolarHBondContact O-N 3.25Å; H149-K289 PolarHBondContact CE1-NZ 3.47Å; H149-K289 VanDerWaalsContact CE1-NZ 3.32Å; H149-K289 PolarHBondContact NE2-NZ 2.96Å | ||
| 150 | A | 67.6 | Low | 85.5 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | trans | -61.6 | 106.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108 | N152 Y243 | A150-N152 PolarHBondContact O-N 3Å; A150-Y243 WeakPolarHBondContact CA-OH 3.37Å; A150-Y243 HydrophobicContact CB-CE1 4.38Å; A150-Y243 VanDerWaalsContact CB-OH 3.23Å; A150-Y243 WeakPolarHBondContact CB-OH 3.25Å | ||
| 151 | H | 60.4 | Low | 85.4 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.4 | 170.1 | -59 | -76.2 | 0 | 0 | 0 | 107.6 | H6 P8 H100 H149 | H6-H151 HydrophobicContact CB-CB 4.45Å; P8-H151 WeakPolarHBondContact CG-NE2 3.44Å; H100-H151 AromaticContact CE1-CE1 3.57Å; H100-H151 AromaticContact CE1-NE2 3.21Å; H100-H151 PolarHBondContact CE1-NE2 3.42Å; H100-H151 AromaticContact NE2-CE1 3.69Å; H100-H151 AromaticContact NE2-NE2 3.72Å; H149-H151 PolarHBondContact O-N 3.25Å |
| 152 | N | 59 | Low | 85.2 | Confident | 96 Ų | 96 | 46.2 Ų | 46.2 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 17.9 | 172.3 | -36.7 | -20.6 | 0 | 0 | 0 | 117.3 | H6 A150 W154 | H6-N152 PolarHBondContact CD2-ND2 3.02Å; H6-N152 PolarHBondContact CE1-ND2 3.28Å; H6-N152 VanDerWaalsContact CG-ND2 3.29Å; H6-N152 PolarHBondContact ND1-ND2 3.05Å; H6-N152 PolarHBondContact NE2-ND2 2.99Å; A150-N152 PolarHBondContact O-N 3Å; N152-W154 VanDerWaalsContact C-N 3.28Å; N152-W154 VanDerWaalsContact O-CD1 3.25Å; N152-W154 PolarHBondContact O-N 3.4Å |
| 153 | G | 61.1 | Low | 85 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 80% | 0.804 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 74.1 | 13 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 154 | W | 72.1 | Confident | 84.9 | Confident | 128 Ų | 128 | 47.9 Ų | 47.9 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | trans | -78.9 | 139.9 | 175.5 | -69.7 | 80.7 | 0 | 0 | 0 | 111.3 | A2 N152 P156 | A2-W154 HydrophobicContact CB-CB 4.45Å; A2-W154 HydrophobicContact CB-CD2 4.23Å; A2-W154 HydrophobicContact CB-CE3 3.91Å; A2-W154 HydrophobicContact CB-CG 4.43Å; N152-W154 VanDerWaalsContact C-N 3.28Å; N152-W154 VanDerWaalsContact O-CD1 3.25Å; N152-W154 PolarHBondContact O-N 3.4Å; W154-P156 WeakPolarHBondContact O-CD 3.25Å | ||
| 155 | V | 77.6 | Confident | 84.9 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | trans | -77.5 | 115.8 | 166.7 | -176.6 | 0 | 0 | 0 | 0 | 108 | M1 A2 | M1-V155 WeakPolarHBondContact CA-O 3.21Å; M1-V155 HydrophobicContact CG-CB 4.38Å; A2-V155 PolarHBondContact N-O 2.87Å | ||
| 156 | P | 84.7 | Confident | 84.9 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 150.5 | 179.2 | 29.4 | -34.6 | 0 | 0 | 0 | 111 | W154 V212 Y243 | W154-P156 WeakPolarHBondContact O-CD 3.25Å; P156-V212 HydrophobicContact CB-CG1 3.92Å; P156-V212 HydrophobicContact CG-CB 4.24Å; P156-V212 HydrophobicContact CG-CG1 4.07Å; P156-V212 WeakPolarHBondContact CG-O 3.21Å; P156-Y243 HydrophobicContact CB-CD1 3.35Å; P156-Y243 HydrophobicContact CB-CD2 4.05Å; P156-Y243 HydrophobicContact CB-CE1 3.71Å; P156-Y243 HydrophobicContact CB-CE2 4.32Å; P156-Y243 HydrophobicContact CB-CG 3.57Å; P156-Y243 HydrophobicContact CG-CD1 4.12Å; P156-Y243 HydrophobicContact CG-CE1 4.3Å |
| 157 | Q | 88.7 | Confident | 84.8 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | trans | -121.4 | 143.6 | 173.6 | -72.6 | -170.9 | -41.9 | 0 | 0 | 110.9 | M1 A2 Y243 | M1-Q157 HydrophobicContact CB-CG 3.96Å; M1-Q157 HydrophobicContact CG-CG 4.3Å; M1-Q157 HydrophobicContact SD-CG 4.28Å; M1-Q157 PolarHBondContact SD-NE2 2.77Å; A2-Q157 PolarHBondContact O-N 3.07Å; Q157-Y243 WeakPolarHBondContact O-CB 3.47Å | ||
| 158 | S | 91.9 | Very high | 84.9 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | trans | -79.1 | 130.9 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L160 Y243 N244 Y245 | S158-L160 WeakPolarHBondContact OG-CB 3.38Å; S158-L160 PolarHBondContact OG-N 3.46Å; S158-L160 VanDerWaalsContact OG-N 3.1Å; S158-Y243 WeakPolarHBondContact CA-O 3Å; S158-N244 PolarHBondContact OG-OD1 3.03Å; S158-Y245 WeakPolarHBondContact OG-CE2 3.44Å | ||
| 159 | D | 89.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | trans | -89.4 | 2.1 | 171.2 | -82.4 | -15.2 | 0 | 0 | 0 | 113.2 | N3 W161 L162 T163 | N3-D159 WeakPolarHBondContact CB-OD1 3.45Å; N3-D159 PolarHBondContact ND2-OD1 2.93Å; N3-D159 PolarHBondContact ND2-OD2 3.26Å; D159-W161 PolarHBondContact O-N 3.03Å; D159-L162 WeakPolarHBondContact O-CB 3.33Å; D159-L162 PolarHBondContact O-N 3.06Å; D159-T163 PolarHBondContact O-N 3.02Å; D159-T163 PolarHBondContact O-OG1 3.38Å; D159-T163 VanDerWaalsContact O-OG1 3.14Å | ||
| 160 | L | 95.4 | Very high | 85.7 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -48.7 | -52.5 | -174.9 | 178 | 61.7 | 0 | 0 | 0 | 113.2 | S158 L162 T163 M164 N244 Y245 Y248 F310 A313 F317 | S158-L160 WeakPolarHBondContact OG-CB 3.38Å; S158-L160 PolarHBondContact OG-N 3.46Å; S158-L160 VanDerWaalsContact OG-N 3.1Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 3.34Å; L160-T163 PolarHBondContact O-N 3.16Å; L160-M164 HydrophobicContact CD1-CE 3.99Å; L160-M164 HydrophobicContact CD1-CG 4.46Å; L160-M164 HydrophobicContact CG-CE 4.39Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 WeakPolarHBondContact O-CG 3.31Å; L160-M164 PolarHBondContact O-N 3Å; L160-N244 WeakPolarHBondContact CB-OD1 3.45Å; L160-Y245 HydrophobicContact CD2-CD2 4.06Å; L160-Y245 HydrophobicContact CD2-CE2 4.34Å; L160-Y248 HydrophobicContact CD1-CD2 3.98Å; L160-Y248 HydrophobicContact CD1-CE2 3.55Å; L160-Y248 HydrophobicContact CD2-CD2 3.62Å; L160-Y248 HydrophobicContact CD2-CE2 4.05Å; L160-Y248 HydrophobicContact CD2-CG 4.21Å; L160-Y248 HydrophobicContact CG-CD2 4.47Å; L160-Y248 HydrophobicContact CG-CE2 4.46Å; L160-F310 HydrophobicContact CD2-CE1 4.49Å; L160-A313 HydrophobicContact CD2-CB 4.29Å; L160-F317 HydrophobicContact CD1-CD2 3.98Å; L160-F317 HydrophobicContact CD1-CE2 4.49Å |
| 161 | W | 96.3 | Very high | 87 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 11% | 0.114 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69 | -34.5 | -177.2 | -50.7 | 119.9 | 0 | 0 | 0 | 112.6 | D159 M164 G165 M201 K202 L205 S206 Y245 F310 A313 | D159-W161 PolarHBondContact O-N 3.03Å; W161-M164 HydrophobicContact CE3-SD 3.92Å; W161-M164 HydrophobicContact CZ3-SD 3.95Å; W161-G165 PolarHBondContact O-N 3.34Å; W161-M201 HydrophobicContact CH2-CB 4.04Å; W161-M201 HydrophobicContact CZ3-CB 3.78Å; W161-K202 HydrophobicContact CB-CD 4.16Å; W161-K202 HydrophobicContact CB-CG 4.44Å; W161-K202 HydrophobicContact CD2-CB 3.92Å; W161-K202 HydrophobicContact CD2-CG 3.97Å; W161-K202 HydrophobicContact CE3-CB 4.03Å; W161-K202 HydrophobicContact CG-CB 4.3Å; W161-K202 HydrophobicContact CG-CD 4.12Å; W161-K202 HydrophobicContact CG-CG 3.87Å; W161-K202 HydrophobicContact CZ3-CB 4.49Å; W161-L205 HydrophobicContact CH2-CB 3.99Å; W161-L205 HydrophobicContact CH2-CD1 3.83Å; W161-L205 HydrophobicContact CH2-CG 4.37Å; W161-L205 HydrophobicContact CZ2-CB 3.98Å; W161-S206 PolarHBondContact NE1-OG 3.32Å; W161-Y245 HydrophobicContact CZ2-CE2 4.16Å; W161-Y245 AromaticContact NE1-CE2 3.58Å; W161-Y245 AromaticContact NE1-CZ 3.78Å; W161-Y245 PolarHBondContact NE1-OH 2.66Å; W161-Y245 VanDerWaalsContact NE1-OH 3.14Å; W161-F310 HydrophobicContact CZ2-CE1 4.27Å; W161-A313 HydrophobicContact CH2-CB 4.4Å |
| 162 | L | 93.9 | Very high | 88.5 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 48% | 0.482 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 176.5 | 178.2 | 64.4 | 0 | 0 | 0 | 110 | D159 L160 G165 K166 | D159-L162 WeakPolarHBondContact O-CB 3.33Å; D159-L162 PolarHBondContact O-N 3.06Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 3.34Å; L162-G165 WeakPolarHBondContact O-CA 3.14Å; L162-G165 PolarHBondContact O-N 2.9Å; L162-G165 VanDerWaalsContact O-N 3.13Å; L162-K166 PolarHBondContact O-N 3.42Å |
| 163 | T | 93.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | D159 L160 G165 K166 Y167 F317 | D159-T163 PolarHBondContact O-N 3.02Å; D159-T163 PolarHBondContact O-OG1 3.38Å; D159-T163 VanDerWaalsContact O-OG1 3.14Å; L160-T163 PolarHBondContact O-N 3.16Å; T163-G165 VanDerWaalsContact C-N 3.25Å; T163-G165 PolarHBondContact O-N 2.86Å; T163-K166 WeakPolarHBondContact O-CB 3.33Å; T163-K166 PolarHBondContact O-N 2.79Å; T163-K166 VanDerWaalsContact O-N 3.12Å; T163-Y167 HydrophobicContact CG2-CD1 4.14Å; T163-Y167 HydrophobicContact CG2-CE1 3.71Å; T163-Y167 HydrophobicContact CG2-CE2 4.37Å; T163-Y167 WeakPolarHBondContact O-CD1 3.41Å; T163-Y167 PolarHBondContact O-N 2.89Å; T163-F317 HydrophobicContact CG2-CE2 3.68Å; T163-F317 HydrophobicContact CG2-CZ 4.09Å |
| 164 | M | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.5 | -39.9 | 172.5 | -74.9 | -176.5 | 167.4 | 0 | 0 | 111.9 | L160 W161 Y167 F168 M198 M201 A313 F316 F317 L320 | L160-M164 HydrophobicContact CD1-CE 3.99Å; L160-M164 HydrophobicContact CD1-CG 4.46Å; L160-M164 HydrophobicContact CG-CE 4.39Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 WeakPolarHBondContact O-CG 3.31Å; L160-M164 PolarHBondContact O-N 3Å; W161-M164 HydrophobicContact CE3-SD 3.92Å; W161-M164 HydrophobicContact CZ3-SD 3.95Å; M164-Y167 PolarHBondContact O-N 2.84Å; M164-F168 VanDerWaalsContact O-CB 3.31Å; M164-F168 WeakPolarHBondContact O-CB 3.17Å; M164-F168 PolarHBondContact O-N 3.5Å; M164-M198 HydrophobicContact CB-CE 3.83Å; M164-M198 WeakPolarHBondContact O-CE 3.39Å; M164-M201 HydrophobicContact CE-CE 4.31Å; M164-M201 HydrophobicContact SD-CE 4.12Å; M164-A313 HydrophobicContact CE-CB 3.98Å; M164-A313 WeakPolarHBondContact CE-O 3.47Å; M164-F316 HydrophobicContact CE-CB 4.34Å; M164-F317 HydrophobicContact CE-CB 3.7Å; M164-F317 HydrophobicContact CE-CD2 4.31Å; M164-F317 HydrophobicContact CG-CD2 3.89Å; M164-L320 HydrophobicContact CB-CD1 4.34Å |
| 165 | G | 96.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W161 L162 T163 A169 | W161-G165 PolarHBondContact O-N 3.34Å; L162-G165 WeakPolarHBondContact O-CA 3.14Å; L162-G165 PolarHBondContact O-N 2.9Å; L162-G165 VanDerWaalsContact O-N 3.13Å; T163-G165 VanDerWaalsContact C-N 3.25Å; T163-G165 PolarHBondContact O-N 2.86Å; G165-A169 PolarHBondContact O-N 2.76Å; G165-A169 VanDerWaalsContact O-N 3.16Å |
| 166 | K | 94.6 | Very high | 93.5 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.4 | -68.2 | 174.1 | -179.5 | 175.1 | 0 | 111 | L162 T163 F168 A169 L170 | L162-K166 PolarHBondContact O-N 3.42Å; T163-K166 WeakPolarHBondContact O-CB 3.33Å; T163-K166 PolarHBondContact O-N 2.79Å; T163-K166 VanDerWaalsContact O-N 3.12Å; K166-F168 PolarHBondContact O-N 3.1Å; K166-A169 WeakPolarHBondContact O-CB 3.22Å; K166-A169 PolarHBondContact O-N 2.78Å; K166-A169 VanDerWaalsContact O-N 3.12Å; K166-L170 WeakPolarHBondContact O-CG 3.31Å; K166-L170 PolarHBondContact O-N 3.39Å |
| 167 | Y | 95.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 178.7 | -76.5 | 15 | 0 | 0 | 0 | 110.9 | F84 T163 M164 A169 L170 V171 F317 L320 W321 I324 | F84-Y167 HydrophobicContact CB-CE1 4.44Å; F84-Y167 HydrophobicContact CD1-CD1 4.32Å; F84-Y167 AromaticContact CD1-CE1 3.69Å; F84-Y167 HydrophobicContact CD1-CE1 3.69Å; F84-Y167 HydrophobicContact CD1-CE2 4.31Å; F84-Y167 AromaticContact CD1-CZ 3.68Å; T163-Y167 HydrophobicContact CG2-CD1 4.14Å; T163-Y167 HydrophobicContact CG2-CE1 3.71Å; T163-Y167 HydrophobicContact CG2-CE2 4.37Å; T163-Y167 WeakPolarHBondContact O-CD1 3.41Å; T163-Y167 PolarHBondContact O-N 2.89Å; M164-Y167 PolarHBondContact O-N 2.84Å; Y167-A169 PolarHBondContact O-N 2.88Å; Y167-A169 VanDerWaalsContact O-N 3.15Å; Y167-L170 CarbonylContact O-C 3.53Å; Y167-L170 WeakPolarHBondContact O-CA 3.04Å; Y167-L170 WeakPolarHBondContact O-CB 3.25Å; Y167-L170 PolarHBondContact O-N 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 3.28Å; Y167-F317 HydrophobicContact CD2-CE2 4.29Å; Y167-F317 HydrophobicContact CD2-CZ 4.29Å; Y167-F317 HydrophobicContact CE2-CD1 4.47Å; Y167-F317 AromaticContact CE2-CE1 3.79Å; Y167-F317 HydrophobicContact CE2-CE1 3.79Å; Y167-F317 AromaticContact CE2-CE2 3.84Å; Y167-F317 HydrophobicContact CE2-CE2 3.84Å; Y167-F317 AromaticContact CE2-CZ 3.43Å; Y167-F317 HydrophobicContact CE2-CZ 3.43Å; Y167-F317 VanDerWaalsContact CE2-CZ 3.43Å; Y167-F317 AromaticContact CZ-CZ 3.86Å; Y167-L320 HydrophobicContact CD2-CB 4.46Å; Y167-W321 HydrophobicContact CD2-CB 4.3Å; Y167-W321 HydrophobicContact CE2-CB 4.05Å; Y167-I324 HydrophobicContact CD1-CD1 4.36Å; Y167-I324 HydrophobicContact CD2-CD1 4.4Å; Y167-I324 HydrophobicContact CG-CD1 3.92Å; Y167-I324 WeakPolarHBondContact O-CD1 3.46Å |
| 168 | F | 96.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 177.5 | -177.7 | -103.4 | 0 | 0 | 0 | 113.7 | M164 K166 R191 L194 R195 M198 L320 | M164-F168 VanDerWaalsContact O-CB 3.31Å; M164-F168 WeakPolarHBondContact O-CB 3.17Å; M164-F168 PolarHBondContact O-N 3.5Å; K166-F168 PolarHBondContact O-N 3.1Å; F168-R191 HydrophobicContact CE2-CB 4.44Å; F168-R191 HydrophobicContact CE2-CG 4.15Å; F168-R191 HydrophobicContact CZ-CB 4.12Å; F168-R191 HydrophobicContact CZ-CG 4.1Å; F168-R191 WeakPolarHBondContact CZ-O 3.49Å; F168-R191 PolarHBondContact O-NH1 3.07Å; F168-R191 PolarHBondContact O-NH2 3.35Å; F168-L194 HydrophobicContact CD2-CB 4.36Å; F168-L194 HydrophobicContact CE2-CB 3.75Å; F168-L194 HydrophobicContact CE2-CD1 4.33Å; F168-R195 HydrophobicContact CE1-CB 4.29Å; F168-R195 HydrophobicContact CZ-CB 4.07Å; F168-M198 HydrophobicContact CB-CE 4Å; F168-M198 HydrophobicContact CB-SD 3.73Å; F168-M198 HydrophobicContact CD1-SD 4.4Å; F168-M198 HydrophobicContact CD2-SD 3.94Å; F168-M198 HydrophobicContact CG-CE 4.48Å; F168-M198 HydrophobicContact CG-SD 3.75Å; F168-L320 HydrophobicContact CB-CD1 4.31Å; F168-L320 HydrophobicContact CB-CD2 4.4Å; F168-L320 HydrophobicContact CD2-CD2 3.99Å |
| 169 | A | 95.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.1 | -31.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G165 K166 Y167 | G165-A169 PolarHBondContact O-N 2.76Å; G165-A169 VanDerWaalsContact O-N 3.16Å; K166-A169 WeakPolarHBondContact O-CB 3.22Å; K166-A169 PolarHBondContact O-N 2.78Å; K166-A169 VanDerWaalsContact O-N 3.12Å; Y167-A169 PolarHBondContact O-N 2.88Å; Y167-A169 VanDerWaalsContact O-N 3.15Å |
| 170 | L | 94.1 | Very high | 94.6 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -84.1 | -20.3 | 178.9 | -66.2 | 174.1 | 0 | 0 | 0 | 114.1 | K166 Y167 I324 | K166-L170 WeakPolarHBondContact O-CG 3.31Å; K166-L170 PolarHBondContact O-N 3.39Å; Y167-L170 CarbonylContact O-C 3.53Å; Y167-L170 WeakPolarHBondContact O-CA 3.04Å; Y167-L170 WeakPolarHBondContact O-CB 3.25Å; Y167-L170 PolarHBondContact O-N 3.29Å; L170-I324 HydrophobicContact CB-CD1 3.95Å; L170-I324 HydrophobicContact CB-CG1 4.11Å; L170-I324 HydrophobicContact CB-CG2 4.27Å |
| 171 | V | 93.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -53.2 | 125.9 | 177.4 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | Y167 L320 L323 I324 | Y167-V171 WeakPolarHBondContact O-CG2 3.32Å; Y167-V171 PolarHBondContact O-N 3.28Å; V171-L320 HydrophobicContact CG2-CD2 3.87Å; V171-L323 HydrophobicContact CG1-CB 4.11Å; V171-L323 HydrophobicContact CG1-CD1 3.75Å; V171-L323 HydrophobicContact CG2-CB 4.13Å; V171-L323 HydrophobicContact CG2-CD1 4.26Å; V171-I324 HydrophobicContact CG2-CD1 4.45Å; V171-I324 HydrophobicContact CG2-CG1 3.99Å |
| 172 | P | 91.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | trans | -59.5 | 143.1 | -178.3 | 24.6 | -34.4 | 0 | 0 | 0 | 111.2 | F175 L323 E327 | P172-F175 HydrophobicContact CB-CE1 4.23Å; P172-F175 HydrophobicContact CB-CZ 4.43Å; P172-F175 HydrophobicContact CG-CD1 4.45Å; P172-F175 HydrophobicContact CG-CE1 3.62Å; P172-F175 HydrophobicContact CG-CE2 4.27Å; P172-F175 HydrophobicContact CG-CZ 3.5Å; P172-F175 VanDerWaalsContact CG-CZ 3.5Å; P172-L323 WeakPolarHBondContact CD-O 3.33Å; P172-E327 HydrophobicContact CB-CB 4.49Å; P172-E327 HydrophobicContact CG-CB 4.23Å | ||
| 173 | K | 93.3 | Very high | 94.7 | Very high | 169 Ų | 169 | 67.2 Ų | 67.2 | 74% | 0.735 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -84 | -23.8 | 176.4 | -67 | -178.5 | -175.6 | 173.3 | 0 | 112.4 | ||
| 174 | F | 94.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 66.5 Ų | 66.5 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | trans | -159.2 | 154.1 | 177.6 | 72.1 | -81.3 | 0 | 0 | 0 | 108.3 | N181 | F174-N181 VanDerWaalsContact CA-OD1 3.27Å; F174-N181 WeakPolarHBondContact CA-OD1 3.41Å; F174-N181 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 175 | F | 94 | Very high | 94.7 | Very high | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | trans | -101.6 | 148 | 169 | -67.8 | -72.4 | 0 | 0 | 0 | 109.7 | P172 D177 M180 N181 L184 A326 E327 L336 | P172-F175 HydrophobicContact CB-CE1 4.23Å; P172-F175 HydrophobicContact CB-CZ 4.43Å; P172-F175 HydrophobicContact CG-CD1 4.45Å; P172-F175 HydrophobicContact CG-CE1 3.62Å; P172-F175 HydrophobicContact CG-CE2 4.27Å; P172-F175 HydrophobicContact CG-CZ 3.5Å; P172-F175 VanDerWaalsContact CG-CZ 3.5Å; F175-D177 VanDerWaalsContact C-N 3.32Å; F175-M180 HydrophobicContact CB-CB 3.88Å; F175-M180 HydrophobicContact CD1-CE 3.95Å; F175-M180 HydrophobicContact CD2-CB 3.95Å; F175-M180 HydrophobicContact CE1-CE 3.95Å; F175-M180 HydrophobicContact CG-CB 3.94Å; F175-M180 HydrophobicContact CG-CE 4.26Å; F175-M180 HydrophobicContact CZ-CE 4.26Å; F175-N181 HydrophobicContact CB-CB 4.09Å; F175-N181 PolarHBondContact N-OD1 2.99Å; F175-N181 VanDerWaalsContact N-OD1 3.11Å; F175-N181 WeakPolarHBondContact O-CB 3.29Å; F175-L184 HydrophobicContact CD2-CB 3.92Å; F175-L184 HydrophobicContact CD2-CD2 3.77Å; F175-L184 HydrophobicContact CD2-CG 4.35Å; F175-L184 HydrophobicContact CE2-CB 3.92Å; F175-L184 HydrophobicContact CE2-CD1 4.11Å; F175-L184 HydrophobicContact CE2-CD2 3.77Å; F175-L184 HydrophobicContact CE2-CG 4.13Å; F175-A326 HydrophobicContact CE1-CB 4.08Å; F175-A326 HydrophobicContact CZ-CB 3.82Å; F175-E327 WeakPolarHBondContact CD1-OE2 3.22Å; F175-E327 HydrophobicContact CE1-CB 4Å; F175-E327 WeakPolarHBondContact CE1-OE2 3.28Å; F175-L336 HydrophobicContact CE2-CD1 4.31Å; F175-L336 HydrophobicContact CE2-CD2 4.34Å | ||
| 176 | Q | 92.9 | Very high | 94.7 | Very high | 154 Ų | 154 | 74.3 Ų | 74.3 | 72% | 0.72 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -70.6 | -33.5 | 173.7 | -64.4 | -64.8 | -18.6 | 0 | 0 | 111.6 | P178 | Q176-P178 WeakPolarHBondContact O-CD 3.42Š|
| 177 | D | 93.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 72.7 Ų | 72.7 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.7 | 122.2 | 173 | -179.7 | -90.1 | 0 | 0 | 0 | 110.4 | F175 E179 M180 N181 | F175-D177 VanDerWaalsContact C-N 3.32Å; D177-E179 VanDerWaalsContact C-N 3.33Å; D177-E179 PolarHBondContact O-N 3.47Å; D177-E179 WeakPolarHBondContact OD1-CA 3.23Å; D177-E179 WeakPolarHBondContact OD1-CB 3.37Å; D177-E179 PolarHBondContact OD1-N 3.28Å; D177-M180 HydrophobicContact CB-CB 4.08Å; D177-M180 HydrophobicContact CB-CG 4.06Å; D177-M180 HydrophobicContact CB-SD 4.06Å; D177-M180 WeakPolarHBondContact OD1-CG 3.25Å; D177-M180 PolarHBondContact OD1-N 3.39Å; D177-N181 VanDerWaalsContact O-CB 3.28Å; D177-N181 WeakPolarHBondContact O-CB 3.16Å; D177-N181 PolarHBondContact O-N 2.57Å |
| 178 | P | 94.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 73 Ų | 73 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.1 | -33.7 | -175.9 | -25.1 | 35 | 0 | 0 | 0 | 114.4 | Q176 M182 | Q176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-M182 WeakPolarHBondContact O-CB 3.24Å; P178-M182 PolarHBondContact O-N 2.74Å |
| 179 | E | 94.7 | Very high | 94.9 | Very high | 137 Ų | 137 | 73.6 Ų | 73.6 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -72.4 | -49.2 | -179.3 | -177.4 | 178.1 | 169.8 | 0 | 0 | 110.3 | D177 N181 M182 R183 | D177-E179 VanDerWaalsContact C-N 3.33Å; D177-E179 PolarHBondContact O-N 3.47Å; D177-E179 WeakPolarHBondContact OD1-CA 3.23Å; D177-E179 WeakPolarHBondContact OD1-CB 3.37Å; D177-E179 PolarHBondContact OD1-N 3.28Å; E179-N181 VanDerWaalsContact C-N 3.28Å; E179-N181 PolarHBondContact O-N 3.46Å; E179-M182 WeakPolarHBondContact O-CB 3.46Å; E179-M182 PolarHBondContact O-N 2.95Å; E179-M182 VanDerWaalsContact O-N 3.14Å; E179-R183 WeakPolarHBondContact O-CG 3.42Å; E179-R183 PolarHBondContact O-N 3.14Å |
| 180 | M | 94.4 | Very high | 95 | Very high | 54 Ų | 54 | 73 Ų | 73 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 173.8 | -66.8 | -177.2 | 68 | 0 | 0 | 111.6 | F175 D177 M182 R183 L184 A326 L336 | F175-M180 HydrophobicContact CB-CB 3.88Å; F175-M180 HydrophobicContact CD1-CE 3.95Å; F175-M180 HydrophobicContact CD2-CB 3.95Å; F175-M180 HydrophobicContact CE1-CE 3.95Å; F175-M180 HydrophobicContact CG-CB 3.94Å; F175-M180 HydrophobicContact CG-CE 4.26Å; F175-M180 HydrophobicContact CZ-CE 4.26Å; D177-M180 HydrophobicContact CB-CB 4.08Å; D177-M180 HydrophobicContact CB-CG 4.06Å; D177-M180 HydrophobicContact CB-SD 4.06Å; D177-M180 WeakPolarHBondContact OD1-CG 3.25Å; D177-M180 PolarHBondContact OD1-N 3.39Å; M180-M182 VanDerWaalsContact C-N 3.34Å; M180-M182 PolarHBondContact O-N 2.77Å; M180-R183 PolarHBondContact O-N 3.37Å; M180-L184 WeakPolarHBondContact O-CB 3.43Å; M180-L184 PolarHBondContact O-N 3.34Å; M180-A326 HydrophobicContact CE-CB 4.1Å; M180-A326 WeakPolarHBondContact CE-O 3.39Å; M180-L336 HydrophobicContact CB-CD2 4.23Å; M180-L336 WeakPolarHBondContact O-CD2 3.17Å |
| 181 | N | 95.8 | Very high | 95 | Very high | 46 Ų | 46 | 73.5 Ų | 73.5 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 178 | -167.7 | 55.9 | 0 | 0 | 0 | 112 | F174 F175 D177 E179 N185 | F174-N181 VanDerWaalsContact CA-OD1 3.27Å; F174-N181 WeakPolarHBondContact CA-OD1 3.41Å; F174-N181 WeakPolarHBondContact CB-OD1 3.46Å; F175-N181 HydrophobicContact CB-CB 4.09Å; F175-N181 PolarHBondContact N-OD1 2.99Å; F175-N181 VanDerWaalsContact N-OD1 3.11Å; F175-N181 WeakPolarHBondContact O-CB 3.29Å; D177-N181 VanDerWaalsContact O-CB 3.28Å; D177-N181 WeakPolarHBondContact O-CB 3.16Å; D177-N181 PolarHBondContact O-N 2.57Å; E179-N181 VanDerWaalsContact C-N 3.28Å; E179-N181 PolarHBondContact O-N 3.46Å; N181-N185 PolarHBondContact O-N 3.32Å; N181-N185 PolarHBondContact O-ND2 2.84Å |
| 182 | M | 96.4 | Very high | 95.2 | Very high | 132 Ų | 132 | 81 Ų | 81 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.3 | -51.9 | 172.5 | -172.2 | -173.6 | -55.7 | 0 | 0 | 110.5 | P178 E179 M180 L184 N185 S186 | P178-M182 WeakPolarHBondContact O-CB 3.24Å; P178-M182 PolarHBondContact O-N 2.74Å; E179-M182 WeakPolarHBondContact O-CB 3.46Å; E179-M182 PolarHBondContact O-N 2.95Å; E179-M182 VanDerWaalsContact O-N 3.14Å; M180-M182 VanDerWaalsContact C-N 3.34Å; M180-M182 PolarHBondContact O-N 2.77Å; M182-L184 VanDerWaalsContact C-N 3.34Å; M182-L184 PolarHBondContact O-N 2.62Å; M182-N185 PolarHBondContact O-N 3.22Å; M182-S186 PolarHBondContact O-N 3.35Å; M182-S186 PolarHBondContact O-OG 2.81Å |
| 183 | R | 96.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 85.4 Ų | 85.4 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 178 | -69.7 | 179.4 | 66.7 | -163.1 | 4 | 112.4 | E179 M180 N185 S186 E187 D334 L336 | E179-R183 WeakPolarHBondContact O-CG 3.42Å; E179-R183 PolarHBondContact O-N 3.14Å; M180-R183 PolarHBondContact O-N 3.37Å; R183-N185 PolarHBondContact O-N 2.85Å; R183-S186 PolarHBondContact O-N 2.97Å; R183-E187 WeakPolarHBondContact CG-OE1 3.46Å; R183-E187 IonicContact NE-OE1 2.74Å; R183-E187 IonicContact NE-OE2 3.82Å; R183-E187 PolarHBondContact NE-OE2 2.73Å; R183-E187 IonicContact NH2-OE2 2.8Å; R183-E187 WeakPolarHBondContact O-CB 3.45Å; R183-E187 PolarHBondContact O-N 2.85Å; R183-D334 IonicContact CZ-OD1 3.57Å; R183-D334 IonicContact CZ-OD2 3.38Å; R183-D334 IonicContact NH1-OD1 3.8Å; R183-D334 PolarHBondContact NH1-OD1 2.91Å; R183-D334 VanDerWaalsContact NH1-OD1 3.14Å; R183-D334 IonicContact NH1-OD2 3.4Å; R183-D334 PolarHBondContact NH1-OD2 3.4Å; R183-D334 IonicContact NH2-OD1 3.14Å; R183-D334 IonicContact NH2-OD2 3.86Å; R183-D334 PolarHBondContact NH2-OD2 2.78Å; R183-L336 HydrophobicContact CB-CD2 3.58Å; R183-L336 HydrophobicContact CB-CG 4.43Å |
| 184 | L | 95.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 77.5 Ų | 77.5 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.7 | -38.6 | 174.5 | 178.8 | 65.5 | 0 | 0 | 0 | 112.1 | F175 M180 M182 V188 L323 | F175-L184 HydrophobicContact CD2-CB 3.92Å; F175-L184 HydrophobicContact CD2-CD2 3.77Å; F175-L184 HydrophobicContact CD2-CG 4.35Å; F175-L184 HydrophobicContact CE2-CB 3.92Å; F175-L184 HydrophobicContact CE2-CD1 4.11Å; F175-L184 HydrophobicContact CE2-CD2 3.77Å; F175-L184 HydrophobicContact CE2-CG 4.13Å; M180-L184 WeakPolarHBondContact O-CB 3.43Å; M180-L184 PolarHBondContact O-N 3.34Å; M182-L184 VanDerWaalsContact C-N 3.34Å; M182-L184 PolarHBondContact O-N 2.62Å; L184-V188 HydrophobicContact CD1-CB 4.15Å; L184-V188 HydrophobicContact CD1-CG1 4.33Å; L184-V188 HydrophobicContact CD1-CG2 4.08Å; L184-V188 WeakPolarHBondContact O-CB 3.36Å; L184-L323 HydrophobicContact CD1-CD2 4.21Å |
| 185 | N | 94.5 | Very high | 95.9 | Very high | 117 Ų | 117 | 78.7 Ų | 78.7 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -83.5 | -26.9 | -177.7 | -71.8 | -55.7 | 0 | 0 | 0 | 113.4 | N181 M182 R183 | N181-N185 PolarHBondContact O-N 3.32Å; N181-N185 PolarHBondContact O-ND2 2.84Å; M182-N185 PolarHBondContact O-N 3.22Å; R183-N185 PolarHBondContact O-N 2.85Å |
| 186 | S | 95.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 82.7 Ų | 82.7 | 58% | 0.58 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -98.2 | -37.7 | -176.6 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | M182 R183 | M182-S186 PolarHBondContact O-N 3.35Å; M182-S186 PolarHBondContact O-OG 2.81Å; R183-S186 PolarHBondContact O-N 2.97Å |
| 187 | E | 97.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -29.1 | -170.2 | -63.2 | 170.5 | -157.6 | 0 | 0 | 112.8 | R183 V340 | R183-E187 WeakPolarHBondContact CG-OE1 3.46Å; R183-E187 IonicContact NE-OE1 2.74Å; R183-E187 IonicContact NE-OE2 3.82Å; R183-E187 PolarHBondContact NE-OE2 2.73Å; R183-E187 IonicContact NH2-OE2 2.8Å; R183-E187 WeakPolarHBondContact O-CB 3.45Å; R183-E187 PolarHBondContact O-N 2.85Å; E187-V340 HydrophobicContact CB-CG1 4.09Å; E187-V340 HydrophobicContact CB-CG2 3.6Å |
| 188 | V | 97.2 | Very high | 96.6 | Very high | 12 Ų | 12 | 74.2 Ų | 74.2 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -90.3 | 136.3 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | L184 S190 L323 L336 V340 F343 | L184-V188 HydrophobicContact CD1-CB 4.15Å; L184-V188 HydrophobicContact CD1-CG1 4.33Å; L184-V188 HydrophobicContact CD1-CG2 4.08Å; L184-V188 WeakPolarHBondContact O-CB 3.36Å; V188-S190 PolarHBondContact O-N 3.36Å; V188-L323 HydrophobicContact CG1-CD1 3.9Å; V188-L323 HydrophobicContact CG1-CD2 4.24Å; V188-L323 HydrophobicContact CG2-CD2 3.97Å; V188-L336 HydrophobicContact CG2-CD1 3.77Å; V188-V340 HydrophobicContact CG2-CG2 3.8Å; V188-F343 HydrophobicContact CG1-CD2 4.3Å; V188-F343 HydrophobicContact CG1-CE2 4.28Å |
| 189 | P | 97.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 73.1 Ų | 73.1 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -56 | 138.5 | 173.2 | -20 | 27.5 | 0 | 0 | 0 | 112 | R193 L194 F343 F347 | P189-R193 HydrophobicContact CB-CB 4.49Å; P189-R193 HydrophobicContact CB-CG 4.45Å; P189-L194 HydrophobicContact CB-CD2 3.84Å; P189-L194 HydrophobicContact CB-CG 4.13Å; P189-L194 HydrophobicContact CG-CD2 4.09Å; P189-L194 WeakPolarHBondContact O-CD1 3.08Å; P189-F343 HydrophobicContact CG-CB 4.03Å; P189-F343 HydrophobicContact CG-CG 4.26Å; P189-F347 HydrophobicContact CB-CE2 4.09Å; P189-F347 HydrophobicContact CG-CD2 4.29Å; P189-F347 HydrophobicContact CG-CE2 3.55Å; P189-F347 HydrophobicContact CG-CZ 4.41Å |
| 190 | S | 96.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 70.2 Ų | 70.2 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -53 | 148.3 | 178.9 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | V188 R192 R193 L194 | V188-S190 PolarHBondContact O-N 3.36Å; S190-R192 PolarHBondContact O-N 2.93Å; S190-R193 WeakPolarHBondContact O-CA 3.38Å; S190-R193 WeakPolarHBondContact O-CB 3.45Å; S190-R193 PolarHBondContact O-N 3.33Å; S190-R193 WeakPolarHBondContact OG-CB 3.45Å; S190-R193 PolarHBondContact OG-N 3.22Å; S190-L194 PolarHBondContact O-N 3.47Å |
| 191 | R | 95.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -50.8 | -35 | 174.7 | -90 | -177 | 75.2 | 88.7 | 3.1 | 113.3 | F168 R195 | F168-R191 HydrophobicContact CE2-CB 4.44Å; F168-R191 HydrophobicContact CE2-CG 4.15Å; F168-R191 HydrophobicContact CZ-CB 4.12Å; F168-R191 HydrophobicContact CZ-CG 4.1Å; F168-R191 WeakPolarHBondContact CZ-O 3.49Å; F168-R191 PolarHBondContact O-NH1 3.07Å; F168-R191 PolarHBondContact O-NH2 3.35Å; R191-R195 WeakPolarHBondContact O-CB 3.46Å; R191-R195 PolarHBondContact O-N 2.77Å |
| 192 | R | 97.3 | Very high | 97.1 | Very high | 164 Ų | 164 | 71 Ų | 71 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.4 | -51.4 | 175.5 | -178.3 | -179.4 | 64.3 | 81.7 | -2.6 | 110.6 | S190 L194 R195 E196 | S190-R192 PolarHBondContact O-N 2.93Å; R192-L194 PolarHBondContact O-N 3Å; R192-R195 WeakPolarHBondContact O-CB 3.28Å; R192-R195 PolarHBondContact O-N 3.31Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.66Å; R192-E196 VanDerWaalsContact NH1-CD 3.32Å; R192-E196 IonicContact NH1-OE1 2.96Å; R192-E196 PolarHBondContact NH1-OE1 3.26Å; R192-E196 IonicContact NH1-OE2 2.7Å; R192-E196 PolarHBondContact NH1-OE2 2.82Å; R192-E196 VanDerWaalsContact NH1-OE2 3.15Å; R192-E196 WeakPolarHBondContact O-CG 3.35Å; R192-E196 PolarHBondContact O-N 3.23Å |
| 193 | R | 97.9 | Very high | 97.2 | Very high | 112 Ų | 112 | 70.9 Ų | 70.9 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 178.5 | -173.3 | 170.8 | -179.9 | -172.4 | 0.4 | 111.6 | P189 S190 R195 E196 E197 F347 | P189-R193 HydrophobicContact CB-CB 4.49Å; P189-R193 HydrophobicContact CB-CG 4.45Å; S190-R193 WeakPolarHBondContact O-CA 3.38Å; S190-R193 WeakPolarHBondContact O-CB 3.45Å; S190-R193 PolarHBondContact O-N 3.33Å; S190-R193 WeakPolarHBondContact OG-CB 3.45Å; S190-R193 PolarHBondContact OG-N 3.22Å; R193-R195 VanDerWaalsContact C-N 3.32Å; R193-R195 PolarHBondContact O-N 2.96Å; R193-E196 PolarHBondContact O-N 3.21Å; R193-E197 VanDerWaalsContact O-CG 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.47Å; R193-E197 PolarHBondContact O-N 2.9Å; R193-F347 HydrophobicContact CG-CZ 4.08Å; R193-F347 VanDerWaalsContact NH2-CD1 3.31Å; R193-F347 VanDerWaalsContact NH2-CE1 3.33Å |
| 194 | L | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 175.8 | -67.6 | 178.8 | 0 | 0 | 0 | 111.9 | F168 P189 S190 R192 E197 M198 F316 F343 | F168-L194 HydrophobicContact CD2-CB 4.36Å; F168-L194 HydrophobicContact CE2-CB 3.75Å; F168-L194 HydrophobicContact CE2-CD1 4.33Å; P189-L194 HydrophobicContact CB-CD2 3.84Å; P189-L194 HydrophobicContact CB-CG 4.13Å; P189-L194 HydrophobicContact CG-CD2 4.09Å; P189-L194 WeakPolarHBondContact O-CD1 3.08Å; S190-L194 PolarHBondContact O-N 3.47Å; R192-L194 PolarHBondContact O-N 3Å; L194-E197 PolarHBondContact O-N 3.49Å; L194-M198 WeakPolarHBondContact O-CG 3.41Å; L194-M198 PolarHBondContact O-N 3Å; L194-F316 HydrophobicContact CB-CZ 3.92Å; L194-F316 HydrophobicContact CD2-CE2 3.77Å; L194-F316 HydrophobicContact CD2-CZ 3.58Å; L194-F316 HydrophobicContact CG-CZ 4.35Å; L194-F316 WeakPolarHBondContact O-CZ 3.36Å; L194-F343 HydrophobicContact CD1-CZ 4.39Å; L194-F343 HydrophobicContact CD2-CD1 3.84Å; L194-F343 HydrophobicContact CD2-CE1 3.53Å; L194-F343 HydrophobicContact CD2-CE2 4.42Å; L194-F343 HydrophobicContact CD2-CG 4.43Å; L194-F343 HydrophobicContact CD2-CZ 3.85Å |
| 195 | R | 98.1 | Very high | 97.3 | Very high | 141 Ų | 141 | 69 Ų | 69 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.7 | -174.9 | -172.3 | -63.1 | -90.6 | 6.5 | 112.3 | F168 R191 R192 R193 E197 M198 V199 | F168-R195 HydrophobicContact CE1-CB 4.29Å; F168-R195 HydrophobicContact CZ-CB 4.07Å; R191-R195 WeakPolarHBondContact O-CB 3.46Å; R191-R195 PolarHBondContact O-N 2.77Å; R192-R195 WeakPolarHBondContact O-CB 3.28Å; R192-R195 PolarHBondContact O-N 3.31Å; R193-R195 VanDerWaalsContact C-N 3.32Å; R193-R195 PolarHBondContact O-N 2.96Å; R195-E197 VanDerWaalsContact C-N 3.31Å; R195-E197 PolarHBondContact O-N 3.44Å; R195-M198 PolarHBondContact O-N 3.22Å; R195-V199 WeakPolarHBondContact O-CG2 3.23Å; R195-V199 PolarHBondContact O-N 2.95Å; R195-V199 VanDerWaalsContact O-N 3.13Å |
| 196 | E | 98.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.1 | -72.6 | 164.5 | -177.1 | 0 | 0 | 111 | R192 R193 V199 W200 | R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.66Å; R192-E196 VanDerWaalsContact NH1-CD 3.32Å; R192-E196 IonicContact NH1-OE1 2.96Å; R192-E196 PolarHBondContact NH1-OE1 3.26Å; R192-E196 IonicContact NH1-OE2 2.7Å; R192-E196 PolarHBondContact NH1-OE2 2.82Å; R192-E196 VanDerWaalsContact NH1-OE2 3.15Å; R192-E196 WeakPolarHBondContact O-CG 3.35Å; R192-E196 PolarHBondContact O-N 3.23Å; R193-E196 PolarHBondContact O-N 3.21Å; E196-V199 PolarHBondContact O-N 3.22Å; E196-W200 PolarHBondContact O-N 3.47Å |
| 197 | E | 98.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 177.7 | -69.1 | -59.6 | 149.1 | 0 | 0 | 113 | R193 L194 R195 V199 W200 M201 F316 Y346 F347 K350 | R193-E197 VanDerWaalsContact O-CG 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.47Å; R193-E197 PolarHBondContact O-N 2.9Å; L194-E197 PolarHBondContact O-N 3.49Å; R195-E197 VanDerWaalsContact C-N 3.31Å; R195-E197 PolarHBondContact O-N 3.44Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.46Å; E197-W200 PolarHBondContact O-N 3.27Å; E197-M201 WeakPolarHBondContact O-CB 3.44Å; E197-M201 WeakPolarHBondContact O-CG 3.3Å; E197-M201 PolarHBondContact O-N 3.03Å; E197-F316 HydrophobicContact CB-CE2 3.69Å; E197-F316 HydrophobicContact CB-CZ 4.21Å; E197-Y346 HydrophobicContact CB-CE1 4.25Å; E197-Y346 HydrophobicContact CG-CE1 4.04Å; E197-Y346 WeakPolarHBondContact OE2-CE1 3.5Å; E197-Y346 PolarHBondContact OE2-OH 3Å; E197-F347 HydrophobicContact CG-CE1 3.74Å; E197-F347 HydrophobicContact CG-CZ 3.71Å; E197-K350 IonicContact OE1-NZ 3.84Å; E197-K350 PolarHBondContact OE1-NZ 2.96Å; E197-K350 IonicContact OE2-NZ 2.71Å; E197-K350 PolarHBondContact OE2-NZ 3.11Å |
| 198 | M | 98.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.8 | -72 | 174.8 | 62.5 | 0 | 0 | 112.7 | M164 F168 L194 R195 M201 K202 F316 L320 | M164-M198 HydrophobicContact CB-CE 3.83Å; M164-M198 WeakPolarHBondContact O-CE 3.39Å; F168-M198 HydrophobicContact CB-CE 4Å; F168-M198 HydrophobicContact CB-SD 3.73Å; F168-M198 HydrophobicContact CD1-SD 4.4Å; F168-M198 HydrophobicContact CD2-SD 3.94Å; F168-M198 HydrophobicContact CG-CE 4.48Å; F168-M198 HydrophobicContact CG-SD 3.75Å; L194-M198 WeakPolarHBondContact O-CG 3.41Å; L194-M198 PolarHBondContact O-N 3Å; R195-M198 PolarHBondContact O-N 3.22Å; M198-M201 HydrophobicContact CG-CE 4.26Å; M198-K202 WeakPolarHBondContact O-CB 3.12Å; M198-K202 PolarHBondContact O-N 3.05Å; M198-F316 HydrophobicContact CG-CD1 4.09Å; M198-F316 HydrophobicContact CG-CE1 3.29Å; M198-F316 HydrophobicContact CG-CZ 3.71Å; M198-F316 HydrophobicContact SD-CE1 3.9Å; M198-L320 HydrophobicContact SD-CD1 4.29Å |
| 199 | V | 98.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | R195 E196 E197 M201 K202 Q203 | R195-V199 WeakPolarHBondContact O-CG2 3.23Å; R195-V199 PolarHBondContact O-N 2.95Å; R195-V199 VanDerWaalsContact O-N 3.13Å; E196-V199 PolarHBondContact O-N 3.22Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.46Å; V199-M201 PolarHBondContact O-N 3.15Å; V199-K202 PolarHBondContact O-N 2.97Å; V199-Q203 HydrophobicContact CG1-CG 4.49Å; V199-Q203 WeakPolarHBondContact O-CG 3.31Å; V199-Q203 PolarHBondContact O-N 3.15Å |
| 200 | W | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 65.3 Ų | 65.3 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177.6 | 176.7 | 85.2 | 0 | 0 | 0 | 112.1 | E196 E197 Q203 S204 L312 K350 | E196-W200 PolarHBondContact O-N 3.47Å; E197-W200 PolarHBondContact O-N 3.27Å; W200-Q203 PolarHBondContact O-N 3.49Å; W200-S204 VanDerWaalsContact CE2-OG 3.31Å; W200-S204 PolarHBondContact NE1-OG 3.26Å; W200-S204 VanDerWaalsContact O-CB 3.24Å; W200-S204 WeakPolarHBondContact O-CB 3.3Å; W200-S204 PolarHBondContact O-N 2.59Å; W200-S204 PolarHBondContact O-OG 3.29Å; W200-L312 HydrophobicContact CH2-CD1 4.12Å; W200-L312 HydrophobicContact CZ3-CD1 4.05Å; W200-K350 HydrophobicContact CE3-CD 4.45Å; W200-K350 HydrophobicContact CH2-CD 4.31Å; W200-K350 HydrophobicContact CH2-CG 4.05Å; W200-K350 HydrophobicContact CZ3-CD 4.17Å; W200-K350 HydrophobicContact CZ3-CG 4.27Å |
| 201 | M | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 177.7 | -76.6 | -168.5 | -64.8 | 0 | 0 | 110.8 | W161 M164 E197 M198 V199 Q203 S204 L205 A313 F316 Y346 | W161-M201 HydrophobicContact CH2-CB 4.04Å; W161-M201 HydrophobicContact CZ3-CB 3.78Å; M164-M201 HydrophobicContact CE-CE 4.31Å; M164-M201 HydrophobicContact SD-CE 4.12Å; E197-M201 WeakPolarHBondContact O-CB 3.44Å; E197-M201 WeakPolarHBondContact O-CG 3.3Å; E197-M201 PolarHBondContact O-N 3.03Å; M198-M201 HydrophobicContact CG-CE 4.26Å; V199-M201 PolarHBondContact O-N 3.15Å; M201-Q203 VanDerWaalsContact C-N 3.31Å; M201-Q203 PolarHBondContact O-N 3.08Å; M201-S204 PolarHBondContact O-N 2.81Å; M201-L205 HydrophobicContact CB-CD1 4.15Å; M201-L205 HydrophobicContact CG-CD1 4.37Å; M201-L205 WeakPolarHBondContact O-CB 3.39Å; M201-L205 VanDerWaalsContact O-CG 3.25Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.23Å; M201-A313 HydrophobicContact SD-CB 4.24Å; M201-F316 HydrophobicContact CE-CB 3.59Å; M201-F316 HydrophobicContact CE-CD1 3.53Å; M201-F316 HydrophobicContact CE-CD2 3.69Å; M201-F316 HydrophobicContact CE-CE1 4.09Å; M201-F316 HydrophobicContact CE-CE2 4.23Å; M201-F316 HydrophobicContact CE-CG 3.3Å; M201-F316 HydrophobicContact CE-CZ 4.4Å; M201-F316 HydrophobicContact SD-CB 3.86Å; M201-F316 HydrophobicContact SD-CD2 4.35Å; M201-F316 HydrophobicContact SD-CG 4.12Å; M201-Y346 HydrophobicContact CG-CE2 4.06Å; M201-Y346 WeakPolarHBondContact CG-OH 3.38Å; M201-Y346 HydrophobicContact SD-CD2 4.48Å; M201-Y346 HydrophobicContact SD-CE2 3.57Å; M201-Y346 VanDerWaalsContact SD-CE2 3.57Å |
| 202 | K | 97.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 63 Ų | 63 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 178.8 | -178.2 | 176.7 | -179.3 | 178.5 | 0 | 111.4 | W161 M198 V199 S206 | W161-K202 HydrophobicContact CB-CD 4.16Å; W161-K202 HydrophobicContact CB-CG 4.44Å; W161-K202 HydrophobicContact CD2-CB 3.92Å; W161-K202 HydrophobicContact CD2-CG 3.97Å; W161-K202 HydrophobicContact CE3-CB 4.03Å; W161-K202 HydrophobicContact CG-CB 4.3Å; W161-K202 HydrophobicContact CG-CD 4.12Å; W161-K202 HydrophobicContact CG-CG 3.87Å; W161-K202 HydrophobicContact CZ3-CB 4.49Å; M198-K202 WeakPolarHBondContact O-CB 3.12Å; M198-K202 PolarHBondContact O-N 3.05Å; V199-K202 PolarHBondContact O-N 2.97Å; K202-S206 WeakPolarHBondContact O-CB 3.44Å; K202-S206 PolarHBondContact O-N 3.12Å; K202-S206 PolarHBondContact O-OG 3.47Å |
| 203 | Q | 96.9 | Very high | 97 | Very high | 129 Ų | 129 | 55.5 Ų | 55.5 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | -179.4 | -71.7 | 172.8 | -19.8 | 0 | 0 | 112.3 | V199 W200 M201 | V199-Q203 HydrophobicContact CG1-CG 4.49Å; V199-Q203 WeakPolarHBondContact O-CG 3.31Å; V199-Q203 PolarHBondContact O-N 3.15Å; W200-Q203 PolarHBondContact O-N 3.49Å; M201-Q203 VanDerWaalsContact C-N 3.31Å; M201-Q203 PolarHBondContact O-N 3.08Å |
| 204 | S | 96.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.6 | -32.6 | -171.7 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | W200 M201 V207 | W200-S204 VanDerWaalsContact CE2-OG 3.31Å; W200-S204 PolarHBondContact NE1-OG 3.26Å; W200-S204 VanDerWaalsContact O-CB 3.24Å; W200-S204 WeakPolarHBondContact O-CB 3.3Å; W200-S204 PolarHBondContact O-N 2.59Å; W200-S204 PolarHBondContact O-OG 3.29Å; M201-S204 PolarHBondContact O-N 2.81Å; S204-V207 VanDerWaalsContact O-CG2 3.3Å; S204-V207 WeakPolarHBondContact O-CG2 3.38Å |
| 205 | L | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -88.6 | -32.1 | -176.5 | -57.6 | -176.3 | 0 | 0 | 0 | 112.3 | W161 M201 V207 L208 R309 F310 A313 | W161-L205 HydrophobicContact CH2-CB 3.99Å; W161-L205 HydrophobicContact CH2-CD1 3.83Å; W161-L205 HydrophobicContact CH2-CG 4.37Å; W161-L205 HydrophobicContact CZ2-CB 3.98Å; M201-L205 HydrophobicContact CB-CD1 4.15Å; M201-L205 HydrophobicContact CG-CD1 4.37Å; M201-L205 WeakPolarHBondContact O-CB 3.39Å; M201-L205 VanDerWaalsContact O-CG 3.25Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.23Å; L205-V207 PolarHBondContact O-N 3.22Å; L205-L208 HydrophobicContact CB-CD1 4.41Å; L205-L208 HydrophobicContact CD2-CD1 3.67Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 WeakPolarHBondContact O-CG 3.45Å; L205-L208 PolarHBondContact O-N 3.21Å; L205-R309 HydrophobicContact CD2-CB 3.67Å; L205-R309 WeakPolarHBondContact CD2-O 2.87Å; L205-F310 HydrophobicContact CB-CD1 4.39Å; L205-F310 HydrophobicContact CB-CE1 3.89Å; L205-F310 HydrophobicContact CB-CE2 4.16Å; L205-F310 HydrophobicContact CB-CZ 3.78Å; L205-F310 HydrophobicContact CD1-CD1 4.19Å; L205-F310 HydrophobicContact CD1-CE1 4.43Å; L205-F310 WeakPolarHBondContact O-CZ 3.45Å; L205-A313 HydrophobicContact CD1-CB 3.87Å |
| 206 | S | 95.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -22.1 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | W161 K202 | W161-S206 PolarHBondContact NE1-OG 3.32Å; K202-S206 WeakPolarHBondContact O-CB 3.44Å; K202-S206 PolarHBondContact O-N 3.12Å; K202-S206 PolarHBondContact O-OG 3.47Å |
| 207 | V | 95.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 39.8 Ų | 39.8 | 70% | 0.703 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.7 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | S204 L205 G209 | S204-V207 VanDerWaalsContact O-CG2 3.3Å; S204-V207 WeakPolarHBondContact O-CG2 3.38Å; L205-V207 PolarHBondContact O-N 3.22Å; V207-G209 PolarHBondContact O-N 3.04Å |
| 208 | L | 96.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.7 | -177.8 | -63.1 | 178.5 | 0 | 0 | 0 | 113.8 | L205 S210 Q306 R309 F310 F358 | L205-L208 HydrophobicContact CB-CD1 4.41Å; L205-L208 HydrophobicContact CD2-CD1 3.67Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 WeakPolarHBondContact O-CG 3.45Å; L205-L208 PolarHBondContact O-N 3.21Å; L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 2.97Å; L208-Q306 HydrophobicContact CB-CG 4.25Å; L208-Q306 PolarHBondContact O-NE2 2.69Å; L208-R309 HydrophobicContact CD1-CB 3.65Å; L208-R309 HydrophobicContact CD1-CG 4.36Å; L208-F310 HydrophobicContact CB-CE2 4.31Å; L208-F310 HydrophobicContact CD1-CD2 4.02Å; L208-F310 HydrophobicContact CD1-CE2 3.91Å; L208-F358 HydrophobicContact CB-CZ 4.23Å; L208-F358 HydrophobicContact CD2-CE2 3.86Å; L208-F358 HydrophobicContact CD2-CZ 3.86Å |
| 209 | G | 95.5 | Very high | 96.3 | Very high | 60 Ų | 60 | 38 Ų | 38 | 62% | 0.619 | 22% | 0.22 | S | C | * | . | trans | 69.5 | 20.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V207 | V207-G209 PolarHBondContact O-N 3.04Š| ||
| 210 | S | 97.1 | Very high | 96 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 129.2 | 173.8 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | L208 A247 | L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 2.97Å; S210-A247 WeakPolarHBondContact OG-CB 3.4Å; S210-A247 PolarHBondContact OG-N 3.4Å; S210-A247 VanDerWaalsContact OG-N 3.07Å |
| 211 | P | 95.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 147.2 | -178.7 | 27.4 | -34.1 | 0 | 0 | 0 | 111 | V213 Q246 | P211-V213 HydrophobicContact CB-CG1 4.46Å; P211-Q246 HydrophobicContact CG-CB 3.95Å; P211-Q246 PolarHBondContact O-N 3.43Å |
| 212 | V | 95.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 22% | 0.218 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.9 | 169.9 | -180 | 0 | 0 | 0 | 0 | 108.8 | P156 N244 Y245 | P156-V212 HydrophobicContact CB-CG1 3.92Å; P156-V212 HydrophobicContact CG-CB 4.24Å; P156-V212 HydrophobicContact CG-CG1 4.07Å; P156-V212 WeakPolarHBondContact CG-O 3.21Å; V212-N244 CarbonylContact C-O 3.49Å; V212-N244 VanDerWaalsContact CA-O 3.27Å; V212-N244 WeakPolarHBondContact CA-O 3.42Å; V212-Y245 HydrophobicContact CG2-CD1 4.15Å; V212-Y245 HydrophobicContact CG2-CE1 4.19Å |
| 213 | V | 94.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 168.7 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | H146 P211 C215 Y243 N244 Q246 | H146-V213 HydrophobicContact CB-CB 4.21Å; H146-V213 HydrophobicContact CB-CG2 3.89Å; P211-V213 HydrophobicContact CB-CG1 4.46Å; V213-C215 VanDerWaalsContact CG2-SG 3.59Å; V213-C215 PolarHBondContact O-N 2.87Å; V213-Y243 WeakPolarHBondContact O-CA 3.38Å; V213-N244 PolarHBondContact N-O 2.94Å; V213-N244 PolarHBondContact O-N 2.83Å; V213-N244 VanDerWaalsContact O-O 3.11Å; V213-Q246 HydrophobicContact CG1-CB 4.47Å; V213-Q246 HydrophobicContact CG2-CB 3.84Å; V213-Q246 HydrophobicContact CG2-CG 4.44Å |
| 214 | L | 93.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 114.8 | 170.3 | 179.7 | 60.4 | 0 | 0 | 0 | 108.1 | I5 T96 L97 Y145 H146 I148 Y243 | I5-L214 HydrophobicContact CD1-CD1 3.52Å; I5-L214 HydrophobicContact CG1-CD1 3.94Å; T96-L214 HydrophobicContact CG2-CD2 4.31Å; L97-L214 HydrophobicContact CD2-CD2 3.95Å; Y145-L214 VanDerWaalsContact CD1-O 3.23Å; Y145-L214 WeakPolarHBondContact CD1-O 3.5Å; Y145-L214 HydrophobicContact CE1-CD2 4.4Å; Y145-L214 HydrophobicContact CE1-CG 3.88Å; Y145-L214 WeakPolarHBondContact CE1-O 3.26Å; H146-L214 PolarHBondContact CD2-O 2.95Å; I148-L214 HydrophobicContact CB-CD2 4.43Å; I148-L214 HydrophobicContact CG2-CD2 4.21Å; L214-Y243 HydrophobicContact CB-CD1 4.33Å; L214-Y243 HydrophobicContact CB-CE1 3.99Å |
| 215 | C | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 158.8 | -176.5 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | Y145 V213 N217 A241 G242 N244 D249 | Y145-C215 PolarHBondContact OH-O 3.16Å; V213-C215 VanDerWaalsContact CG2-SG 3.59Å; V213-C215 PolarHBondContact O-N 2.87Å; C215-N217 VanDerWaalsContact CB-OD1 3.31Å; C215-N217 WeakPolarHBondContact CB-OD1 3.28Å; C215-A241 VanDerWaalsContact O-CA 3.28Å; C215-A241 WeakPolarHBondContact O-CA 3.23Å; C215-G242 PolarHBondContact N-O 3.34Å; C215-G242 PolarHBondContact O-N 3.35Å; C215-G242 VanDerWaalsContact O-N 3.1Å; C215-N244 HydrophobicContact CB-CB 3.97Å; C215-N244 PolarHBondContact SG-O 2.83Å; C215-D249 WeakPolarHBondContact CA-OD2 3.45Å; C215-D249 HydrophobicContact CB-CB 3.86Å; C215-D249 VanDerWaalsContact CB-OD2 3.31Å; C215-D249 WeakPolarHBondContact CB-OD2 3.3Å |
| 216 | H | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -76.6 | -39.5 | 166.6 | -163.5 | -74.1 | 0 | 0 | 0 | 111.3 | D218 L219 I236 D237 Y238 Y240 A241 D249 | H216-D218 PolarHBondContact CE1-O 3.49Å; H216-D218 VanDerWaalsContact ND1-C 3.29Å; H216-D218 PolarHBondContact ND1-N 3.38Å; H216-D218 PolarHBondContact ND1-O 2.88Å; H216-D218 PolarHBondContact O-N 3.15Å; H216-L219 HydrophobicContact CB-CB 4.46Å; H216-L219 HydrophobicContact CB-CD1 4.46Å; H216-I236 PolarHBondContact CE1-O 3.1Å; H216-I236 PolarHBondContact NE2-O 2.71Å; H216-D237 PolarHBondContact CE1-O 2.72Å; H216-Y238 AromaticContact NE2-CD1 3.85Å; H216-Y240 CarbonylContact O-C 3.56Å; H216-A241 PolarHBondContact O-N 3.06Å; H216-D249 PolarHBondContact N-OD2 3.41Å | ||
| 217 | N | 96.8 | Very high | 95 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 64.8 | -8.8 | -176.7 | -59.2 | -52.2 | 0 | 0 | 0 | 116.3 | C215 Y240 G242 N244 Y248 D249 | C215-N217 VanDerWaalsContact CB-OD1 3.31Å; C215-N217 WeakPolarHBondContact CB-OD1 3.28Å; N217-Y240 WeakPolarHBondContact CB-O 3.35Å; N217-Y240 PolarHBondContact ND2-O 3.12Å; N217-G242 PolarHBondContact ND2-N 3Å; N217-N244 VanDerWaalsContact OD1-CB 3.25Å; N217-N244 WeakPolarHBondContact OD1-CB 3.27Å; N217-N244 PolarHBondContact OD1-ND2 2.88Å; N217-Y248 HydrophobicContact CB-CE1 4.26Å; N217-D249 VanDerWaalsContact CA-OD1 3.22Å; N217-D249 WeakPolarHBondContact CA-OD1 3.21Å; N217-D249 PolarHBondContact N-OD1 3Å |
| 218 | D | 95.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | trans | -143 | 51.9 | -178.1 | -170.8 | 27.7 | 0 | 0 | 0 | 112.6 | H216 L220 N223 Y240 W318 | H216-D218 PolarHBondContact CE1-O 3.49Å; H216-D218 VanDerWaalsContact ND1-C 3.29Å; H216-D218 PolarHBondContact ND1-N 3.38Å; H216-D218 PolarHBondContact ND1-O 2.88Å; H216-D218 PolarHBondContact O-N 3.15Å; D218-L220 PolarHBondContact O-N 2.83Å; D218-N223 PolarHBondContact O-ND2 3.47Å; D218-N223 PolarHBondContact OD2-ND2 2.8Å; D218-Y240 HydrophobicContact CB-CD2 3.68Å; D218-Y240 HydrophobicContact CB-CG 4.24Å; D218-W318 HydrophobicContact CB-CH2 4.18Å; D218-W318 HydrophobicContact CB-CZ2 3.9Å; D218-W318 VanDerWaalsContact OD1-CZ2 3.23Å; D218-W318 WeakPolarHBondContact OD1-CZ2 3.49Å | ||
| 219 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -84.9 | 58.4 | -174.8 | -162.1 | 68.7 | 0 | 0 | 0 | 113.2 | I138 L142 H216 I224 F235 H253 | I138-L219 HydrophobicContact CG2-CD2 4.15Å; L142-L219 HydrophobicContact CD1-CD2 4.01Å; L142-L219 HydrophobicContact CD2-CD2 3.99Å; L142-L219 HydrophobicContact CG-CD2 4.43Å; H216-L219 HydrophobicContact CB-CB 4.46Å; H216-L219 HydrophobicContact CB-CD1 4.46Å; L219-I224 HydrophobicContact CD1-CD1 4.44Å; L219-I224 HydrophobicContact CD1-CG1 4.08Å; L219-I224 HydrophobicContact CG-CD1 4.22Å; L219-I224 HydrophobicContact CG-CG1 4.37Å; L219-F235 HydrophobicContact CD1-CB 4.21Å; L219-F235 HydrophobicContact CD1-CD1 3.61Å; L219-F235 HydrophobicContact CD1-CD2 3.88Å; L219-F235 HydrophobicContact CD1-CE1 3.86Å; L219-F235 HydrophobicContact CD1-CE2 4.1Å; L219-F235 HydrophobicContact CD1-CG 3.63Å; L219-F235 HydrophobicContact CD1-CZ 4.09Å; L219-F235 HydrophobicContact CD2-CE1 4.32Å; L219-F235 HydrophobicContact CD2-CE2 4.31Å; L219-F235 HydrophobicContact CD2-CZ 4.02Å; L219-H253 HydrophobicContact CB-CB 4.29Å; L219-H253 HydrophobicContact CD2-CB 4.2Å; L219-H253 PolarHBondContact O-ND1 2.98Å | ||
| 220 | L | 93.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 36 Ų | 36 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | trans | -74.9 | 158.9 | 171.1 | 61.8 | 81.2 | 0 | 0 | 0 | 112 | D218 K222 N223 E256 | D218-L220 PolarHBondContact O-N 2.83Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 HydrophobicContact CD1-CB 3.55Å; L220-K222 HydrophobicContact CD1-CG 4.3Å; L220-K222 PolarHBondContact O-N 3.25Å; L220-N223 HydrophobicContact CD1-CB 4.17Å; L220-N223 HydrophobicContact CG-CB 4.39Å; L220-N223 WeakPolarHBondContact O-CB 3.34Å; L220-N223 PolarHBondContact O-N 2.79Å; L220-E256 HydrophobicContact CB-CB 4.35Å; L220-E256 HydrophobicContact CB-CG 3.87Å; L220-E256 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 221 | C | 91.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.088 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -55.9 | -40.4 | -172.2 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | L124 I129 N223 I224 | L124-C221 HydrophobicContact CB-CB 4.29Å; L124-C221 WeakPolarHBondContact CB-O 3.3Å; L124-C221 PolarHBondContact N-O 3.03Å; L124-C221 CarbonylContact O-C 3.59Å; I129-C221 HydrophobicContact CD1-CB 4.23Å; I129-C221 HydrophobicContact CG2-CB 3.95Å; C221-N223 PolarHBondContact O-N 3.48Å; C221-I224 WeakPolarHBondContact O-CB 3.2Å; C221-I224 PolarHBondContact O-N 3.33Å |
| 222 | K | 91.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -65.8 | -19.4 | 177.7 | -59.6 | -71.2 | -177.5 | 167.8 | 0 | 114 | A123 E125 L220 I224 | A123-K222 HydrophobicContact CB-CD 4.42Å; E125-K222 IonicContact OE1-NZ 2.99Å; E125-K222 PolarHBondContact OE1-NZ 3.06Å; E125-K222 WeakPolarHBondContact OE2-CE 3.37Å; E125-K222 IonicContact OE2-NZ 3.82Å; E125-K222 PolarHBondContact OE2-NZ 3.09Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 HydrophobicContact CD1-CB 3.55Å; L220-K222 HydrophobicContact CD1-CG 4.3Å; L220-K222 PolarHBondContact O-N 3.25Å; K222-I224 PolarHBondContact O-N 3.15Å |
| 223 | N | 94.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -85.6 | 6.2 | 174.8 | -70.3 | -11 | 0 | 0 | 0 | 112.2 | D218 L220 C221 F235 I236 | D218-N223 PolarHBondContact O-ND2 3.47Å; D218-N223 PolarHBondContact OD2-ND2 2.8Å; L220-N223 HydrophobicContact CD1-CB 4.17Å; L220-N223 HydrophobicContact CG-CB 4.39Å; L220-N223 WeakPolarHBondContact O-CB 3.34Å; L220-N223 PolarHBondContact O-N 2.79Å; C221-N223 PolarHBondContact O-N 3.48Å; N223-F235 CarbonylContact O-C 3.39Å; N223-F235 VanDerWaalsContact O-CA 3.29Å; N223-F235 WeakPolarHBondContact O-CA 3.42Å; N223-I236 HydrophobicContact CB-CG1 4.5Å; N223-I236 PolarHBondContact O-N 2.85Å |
| 224 | I | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.5 | 178.3 | -50.9 | 174.5 | 0 | 0 | 0 | 108.7 | A123 L124 I129 I138 L219 C221 K222 V233 F235 | A123-I224 WeakPolarHBondContact CA-O 3.41Å; L124-I224 HydrophobicContact CB-CB 4.43Å; L124-I224 HydrophobicContact CD1-CB 3.96Å; L124-I224 HydrophobicContact CD1-CG2 3.58Å; L124-I224 HydrophobicContact CG-CB 4.18Å; L124-I224 HydrophobicContact CG-CG2 4.09Å; L124-I224 PolarHBondContact N-O 3.03Å; I129-I224 HydrophobicContact CG2-CD1 4.32Å; I138-I224 HydrophobicContact CD1-CD1 3.8Å; I138-I224 HydrophobicContact CG1-CD1 4.05Å; I138-I224 HydrophobicContact CG1-CG2 4.22Å; I138-I224 HydrophobicContact CG2-CD1 4.08Å; L219-I224 HydrophobicContact CD1-CD1 4.44Å; L219-I224 HydrophobicContact CD1-CG1 4.08Å; L219-I224 HydrophobicContact CG-CD1 4.22Å; L219-I224 HydrophobicContact CG-CG1 4.37Å; C221-I224 WeakPolarHBondContact O-CB 3.2Å; C221-I224 PolarHBondContact O-N 3.33Å; K222-I224 PolarHBondContact O-N 3.15Å; I224-V233 HydrophobicContact CG2-CB 3.8Å; I224-V233 HydrophobicContact CG2-CG1 4.01Å; I224-V233 HydrophobicContact CG2-CG2 4.45Å; I224-F235 HydrophobicContact CG1-CD1 4.1Å; I224-F235 HydrophobicContact CG1-CE1 4.28Å; I224-F235 HydrophobicContact CG2-CD1 4.27Å; I224-F235 HydrophobicContact CG2-CE1 4.28Å |
| 225 | I | 95.5 | Very high | 93.5 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.8 | 174.8 | -55.8 | -53.9 | 0 | 0 | 0 | 108.9 | L119 A123 V233 K234 I236 | L119-I225 HydrophobicContact CB-CG2 4.3Å; A123-I225 HydrophobicContact CB-CD1 3.86Å; I225-V233 CarbonylContact O-C 3.49Å; I225-V233 VanDerWaalsContact O-CA 3.28Å; I225-V233 WeakPolarHBondContact O-CA 3.36Å; I225-K234 PolarHBondContact N-O 3.1Å; I225-K234 PolarHBondContact O-N 3.44Å; I225-I236 HydrophobicContact CD1-CD1 3.78Å; I225-I236 HydrophobicContact CD1-CG1 4.46Å; I225-I236 HydrophobicContact CG1-CD1 3.96Å; I225-I236 HydrophobicContact CG1-CG1 4.22Å; I225-I236 HydrophobicContact CG1-CG2 3.93Å |
| 226 | Y | 95.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.7 | 171.2 | 177.1 | -116 | 0 | 0 | 0 | 110.9 | G121 Q122 L124 L137 Q228 N232 V233 | G121-Y226 CarbonylContact C-O 3.42Å; G121-Y226 WeakPolarHBondContact CA-O 3.19Å; Q122-Y226 PolarHBondContact N-O 2.84Å; Q122-Y226 PolarHBondContact O-N 3.07Å; L124-Y226 HydrophobicContact CD2-CG 4.39Å; L137-Y226 HydrophobicContact CD1-CD2 4.27Å; L137-Y226 HydrophobicContact CD1-CE2 3.79Å; Y226-Q228 HydrophobicContact CE1-CB 4.02Å; Y226-Q228 HydrophobicContact CE1-CG 4.41Å; Y226-N232 WeakPolarHBondContact CD2-O 3.4Å; Y226-V233 HydrophobicContact CD2-CG1 3.96Å |
| 227 | N | 93.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106.5 | 173.5 | -174.5 | -41.4 | 0 | 0 | 0 | 109.4 | Q120 Q229 G230 E231 N232 | Q120-N227 PolarHBondContact O-ND2 3.38Å; N227-Q229 PolarHBondContact O-N 2.98Å; N227-Q229 PolarHBondContact OD1-N 3.19Å; N227-G230 PolarHBondContact O-N 3.48Å; N227-G230 PolarHBondContact OD1-N 2.94Å; N227-E231 WeakPolarHBondContact O-CA 3.48Å; N227-E231 PolarHBondContact O-N 3.37Å; N227-N232 PolarHBondContact N-O 3.46Å; N227-N232 PolarHBondContact O-N 3.44Å |
| 228 | Q | 89.6 | Confident | 92.8 | Very high | 156 Ų | 156 | 47 Ų | 47 | 73% | 0.729 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -36.4 | -179.1 | -172.3 | 179.1 | 4.6 | 0 | 0 | 113.2 | Y226 G230 E231 | Y226-Q228 HydrophobicContact CE1-CB 4.02Å; Y226-Q228 HydrophobicContact CE1-CG 4.41Å; Q228-G230 VanDerWaalsContact C-N 3.34Å; Q228-E231 PolarHBondContact O-N 3.15Å |
| 229 | Q | 87.1 | Confident | 92.5 | Very high | 191 Ų | 191 | 46.8 Ų | 46.8 | 89% | 0.893 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -34.8 | -178.1 | -66.8 | 179.7 | -9.7 | 0 | 0 | 112.2 | N227 | N227-Q229 PolarHBondContact O-N 2.98Å; N227-Q229 PolarHBondContact OD1-N 3.19Å |
| 230 | G | 84.9 | Confident | 92.3 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N227 Q228 N232 | N227-G230 PolarHBondContact O-N 3.48Å; N227-G230 PolarHBondContact OD1-N 2.94Å; Q228-G230 VanDerWaalsContact C-N 3.34Å; G230-N232 VanDerWaalsContact C-ND2 3.34Å; G230-N232 WeakPolarHBondContact CA-ND2 3.44Å; G230-N232 PolarHBondContact O-N 2.89Å; G230-N232 VanDerWaalsContact O-N 3.1Å; G230-N232 PolarHBondContact O-ND2 3.09Å |
| 231 | E | 90.5 | Very high | 92.4 | Very high | 145 Ų | 145 | 46.4 Ų | 46.4 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 41.3 | 46 | -174.8 | -62.8 | -171.9 | 149.3 | 0 | 0 | 113.2 | L137 N227 Q228 | L137-E231 WeakPolarHBondContact CD2-O 3.41Å; N227-E231 WeakPolarHBondContact O-CA 3.48Å; N227-E231 PolarHBondContact O-N 3.37Å; Q228-E231 PolarHBondContact O-N 3.15Å |
| 232 | N | 93.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163.2 | -177.3 | 64.4 | 71.9 | 0 | 0 | 0 | 112 | Y226 N227 G230 | Y226-N232 WeakPolarHBondContact CD2-O 3.4Å; N227-N232 PolarHBondContact N-O 3.46Å; N227-N232 PolarHBondContact O-N 3.44Å; G230-N232 VanDerWaalsContact C-ND2 3.34Å; G230-N232 WeakPolarHBondContact CA-ND2 3.44Å; G230-N232 PolarHBondContact O-N 2.89Å; G230-N232 VanDerWaalsContact O-N 3.1Å; G230-N232 PolarHBondContact O-ND2 3.09Å |
| 233 | V | 95.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.6 | 171.9 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | L137 I138 Q141 I224 I225 Y226 F235 | L137-V233 HydrophobicContact CB-CG1 3.98Å; L137-V233 HydrophobicContact CB-CG2 4.04Å; L137-V233 HydrophobicContact CD1-CG1 4.41Å; L137-V233 WeakPolarHBondContact O-CG2 3.41Å; I138-V233 HydrophobicContact CG1-CG1 4.41Å; I138-V233 HydrophobicContact CG1-CG2 4.27Å; Q141-V233 HydrophobicContact CB-CG2 3.66Å; Q141-V233 HydrophobicContact CG-CG2 4.07Å; Q141-V233 WeakPolarHBondContact CG-O 3.34Å; I224-V233 HydrophobicContact CG2-CB 3.8Å; I224-V233 HydrophobicContact CG2-CG1 4.01Å; I224-V233 HydrophobicContact CG2-CG2 4.45Å; I225-V233 CarbonylContact O-C 3.49Å; I225-V233 VanDerWaalsContact O-CA 3.28Å; I225-V233 WeakPolarHBondContact O-CA 3.36Å; Y226-V233 HydrophobicContact CD2-CG1 3.96Å; V233-F235 HydrophobicContact CG2-CE1 4.25Å |
| 234 | K | 95.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 44 Ų | 44 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.1 | 168.7 | -70.7 | -173 | 177.3 | -176.1 | 0 | 109.1 | L119 I225 | L119-K234 HydrophobicContact CD1-CB 3.7Å; L119-K234 HydrophobicContact CD1-CD 3.79Å; L119-K234 HydrophobicContact CD1-CG 4.41Å; L119-K234 HydrophobicContact CD2-CD 3.83Å; L119-K234 HydrophobicContact CG-CD 4.42Å; I225-K234 PolarHBondContact N-O 3.1Å; I225-K234 PolarHBondContact O-N 3.44Å |
| 235 | F | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 155.3 | 175.5 | -51.4 | -30.2 | 0 | 0 | 0 | 109.9 | I138 Q141 L142 Y145 L219 N223 I224 V233 Y238 | I138-F235 HydrophobicContact CG2-CE1 4.23Å; I138-F235 HydrophobicContact CG2-CZ 4.27Å; Q141-F235 HydrophobicContact CB-CE1 4.2Å; Q141-F235 HydrophobicContact CB-CE2 4.28Å; Q141-F235 HydrophobicContact CB-CZ 3.73Å; Q141-F235 HydrophobicContact CG-CD1 4.33Å; Q141-F235 HydrophobicContact CG-CD2 4.22Å; Q141-F235 HydrophobicContact CG-CE1 3.84Å; Q141-F235 HydrophobicContact CG-CE2 3.73Å; Q141-F235 HydrophobicContact CG-CG 4.5Å; Q141-F235 HydrophobicContact CG-CZ 3.52Å; L142-F235 HydrophobicContact CB-CE2 4Å; L142-F235 HydrophobicContact CB-CZ 4.03Å; L142-F235 HydrophobicContact CD1-CE2 3.76Å; L142-F235 HydrophobicContact CD1-CZ 4.44Å; Y145-F235 AromaticContact CD2-CD2 3.93Å; Y145-F235 HydrophobicContact CD2-CD2 3.93Å; Y145-F235 HydrophobicContact CD2-CE2 4.49Å; Y145-F235 HydrophobicContact CE2-CD2 4.45Å; L219-F235 HydrophobicContact CD1-CB 4.21Å; L219-F235 HydrophobicContact CD1-CD1 3.61Å; L219-F235 HydrophobicContact CD1-CD2 3.88Å; L219-F235 HydrophobicContact CD1-CE1 3.86Å; L219-F235 HydrophobicContact CD1-CE2 4.1Å; L219-F235 HydrophobicContact CD1-CG 3.63Å; L219-F235 HydrophobicContact CD1-CZ 4.09Å; L219-F235 HydrophobicContact CD2-CE1 4.32Å; L219-F235 HydrophobicContact CD2-CE2 4.31Å; L219-F235 HydrophobicContact CD2-CZ 4.02Å; N223-F235 CarbonylContact O-C 3.39Å; N223-F235 VanDerWaalsContact O-CA 3.29Å; N223-F235 WeakPolarHBondContact O-CA 3.42Å; I224-F235 HydrophobicContact CG1-CD1 4.1Å; I224-F235 HydrophobicContact CG1-CE1 4.28Å; I224-F235 HydrophobicContact CG2-CD1 4.27Å; I224-F235 HydrophobicContact CG2-CE1 4.28Å; V233-F235 HydrophobicContact CG2-CE1 4.25Å; F235-Y238 HydrophobicContact CB-CE1 4.32Å; F235-Y238 PolarHBondContact O-OH 2.77Å |
| 236 | I | 93.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | trans | -139.4 | 169.7 | 175.2 | 58.5 | 166.8 | 0 | 0 | 0 | 109.3 | L119 H216 N223 I225 | L119-I236 HydrophobicContact CD1-CG2 3.7Å; H216-I236 PolarHBondContact CE1-O 3.1Å; H216-I236 PolarHBondContact NE2-O 2.71Å; N223-I236 HydrophobicContact CB-CG1 4.5Å; N223-I236 PolarHBondContact O-N 2.85Å; I225-I236 HydrophobicContact CD1-CD1 3.78Å; I225-I236 HydrophobicContact CD1-CG1 4.46Å; I225-I236 HydrophobicContact CG1-CD1 3.96Å; I225-I236 HydrophobicContact CG1-CG1 4.22Å; I225-I236 HydrophobicContact CG1-CG2 3.93Å | ||
| 237 | D | 90 | Very high | 92.9 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | trans | 64.2 | 77.3 | 177.7 | -147.1 | -4.4 | 0 | 0 | 0 | 114.5 | R75 H216 E239 | R75-D237 IonicContact CZ-OD1 3.83Å; R75-D237 IonicContact NH1-OD1 2.81Å; R75-D237 PolarHBondContact NH1-OD1 3.03Å; H216-D237 PolarHBondContact CE1-O 2.72Å; D237-E239 VanDerWaalsContact C-N 3.29Å; D237-E239 PolarHBondContact O-N 3.4Å | ||
| 238 | Y | 91.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | trans | -92.5 | 25.8 | -173.3 | -43.7 | -66.5 | 0 | 0 | 0 | 113.4 | F94 L97 C102 A103 P104 Y145 H216 F235 Y240 A241 | F94-Y238 HydrophobicContact CB-CD2 4.28Å; F94-Y238 AromaticContact CD1-CD2 3.93Å; F94-Y238 HydrophobicContact CD1-CD2 3.93Å; F94-Y238 HydrophobicContact CD1-CE2 4.36Å; F94-Y238 AromaticContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CD2-CD2 3.99Å; F94-Y238 AromaticContact CD2-CE2 3.84Å; F94-Y238 HydrophobicContact CD2-CE2 3.84Å; F94-Y238 HydrophobicContact CE1-CD2 4.22Å; F94-Y238 HydrophobicContact CE1-CE2 4.3Å; F94-Y238 HydrophobicContact CE2-CD2 4.26Å; F94-Y238 AromaticContact CE2-CE2 3.75Å; F94-Y238 HydrophobicContact CE2-CE2 3.75Å; F94-Y238 AromaticContact CG-CD2 3.81Å; F94-Y238 HydrophobicContact CG-CD2 3.81Å; F94-Y238 HydrophobicContact CG-CE2 4.14Å; F94-Y238 HydrophobicContact CZ-CD2 4.37Å; F94-Y238 HydrophobicContact CZ-CE2 4Å; L97-Y238 HydrophobicContact CD1-CD1 3.5Å; L97-Y238 HydrophobicContact CD1-CD2 4.26Å; L97-Y238 HydrophobicContact CD1-CE1 3.86Å; L97-Y238 HydrophobicContact CD1-CG 3.72Å; C102-Y238 PolarHBondContact O-OH 3.49Å; A103-Y238 WeakPolarHBondContact CA-OH 3.27Å; A103-Y238 HydrophobicContact CB-CD2 4.45Å; A103-Y238 HydrophobicContact CB-CE1 4.47Å; A103-Y238 HydrophobicContact CB-CE2 3.49Å; A103-Y238 VanDerWaalsContact CB-CE2 3.49Å; A103-Y238 VanDerWaalsContact CB-OH 3.25Å; A103-Y238 WeakPolarHBondContact CB-OH 3.22Å; P104-Y238 WeakPolarHBondContact CD-OH 3.5Å; Y145-Y238 HydrophobicContact CE2-CD1 4.39Å; Y145-Y238 HydrophobicContact CE2-CE1 4.35Å; H216-Y238 AromaticContact NE2-CD1 3.85Å; F235-Y238 HydrophobicContact CB-CE1 4.32Å; F235-Y238 PolarHBondContact O-OH 2.77Å; Y238-Y240 VanDerWaalsContact C-N 3.29Å; Y238-Y240 PolarHBondContact O-N 2.89Å; Y238-A241 VanDerWaalsContact O-CB 3.26Å; Y238-A241 WeakPolarHBondContact O-CB 3.46Å; Y238-A241 PolarHBondContact O-N 2.88Å; Y238-A241 VanDerWaalsContact O-N 3.09Å | ||
| 239 | E | 88.8 | Confident | 93.6 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.1 | -172.8 | 71.9 | 176.8 | -174.8 | 0 | 0 | 112.7 | N57 V85 R87 E90 D237 | N57-E239 PolarHBondContact ND2-OE2 3.34Å; V85-E239 HydrophobicContact CG1-CB 3.97Å; V85-E239 HydrophobicContact CG2-CB 4.21Å; V85-E239 HydrophobicContact CG2-CG 4.28Å; R87-E239 IonicContact NH1-OE2 2.62Å; E90-E239 WeakPolarHBondContact OE1-CA 3.45Å; E90-E239 VanDerWaalsContact OE1-CB 3.29Å; E90-E239 WeakPolarHBondContact OE1-CB 3.28Å; D237-E239 VanDerWaalsContact C-N 3.29Å; D237-E239 PolarHBondContact O-N 3.4Å |
| 240 | Y | 91.7 | Very high | 94.1 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.9 | 173.9 | -62.7 | -76.6 | 0 | 0 | 0 | 113.6 | H216 N217 D218 Y238 G242 W318 W321 | H216-Y240 CarbonylContact O-C 3.56Å; N217-Y240 WeakPolarHBondContact CB-O 3.35Å; N217-Y240 PolarHBondContact ND2-O 3.12Å; D218-Y240 HydrophobicContact CB-CD2 3.68Å; D218-Y240 HydrophobicContact CB-CG 4.24Å; Y238-Y240 VanDerWaalsContact C-N 3.29Å; Y238-Y240 PolarHBondContact O-N 2.89Å; Y240-G242 PolarHBondContact O-N 3.33Å; Y240-W318 AromaticContact CD2-CH2 3.95Å; Y240-W318 HydrophobicContact CD2-CH2 3.95Å; Y240-W318 HydrophobicContact CE1-CH2 4.38Å; Y240-W318 AromaticContact CE2-CH2 3.72Å; Y240-W318 HydrophobicContact CE2-CH2 3.72Å; Y240-W318 HydrophobicContact CE2-CZ3 4.3Å; Y240-W318 HydrophobicContact CG-CH2 4.4Å; Y240-W318 AromaticContact CZ-CH2 3.96Å; Y240-W321 PolarHBondContact OH-NE1 2.8Å; Y240-W321 VanDerWaalsContact OH-NE1 3.08Å |
| 241 | A | 93.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -64.6 | 135 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N89 S93 Y145 C215 H216 Y238 | N89-A241 PolarHBondContact ND2-O 3.03Å; S93-A241 PolarHBondContact OG-O 3.34Å; Y145-A241 WeakPolarHBondContact OH-CB 3.37Å; C215-A241 VanDerWaalsContact O-CA 3.28Å; C215-A241 WeakPolarHBondContact O-CA 3.23Å; H216-A241 PolarHBondContact O-N 3.06Å; Y238-A241 VanDerWaalsContact O-CB 3.26Å; Y238-A241 WeakPolarHBondContact O-CB 3.46Å; Y238-A241 PolarHBondContact O-N 2.88Å; Y238-A241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | G | 92.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 10% | 0.103 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 168 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C215 N217 Y240 N244 | C215-G242 PolarHBondContact N-O 3.34Å; C215-G242 PolarHBondContact O-N 3.35Å; C215-G242 VanDerWaalsContact O-N 3.1Å; N217-G242 PolarHBondContact ND2-N 3Å; Y240-G242 PolarHBondContact O-N 3.33Å; G242-N244 PolarHBondContact O-N 3.5Å |
| 243 | Y | 93.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 12.1 Ų | 12.1 | 6% | 0.055 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 123.7 | 173.9 | -74.1 | -63.9 | 0 | 0 | 0 | 110.5 | I5 A150 P156 Q157 S158 V213 L214 | I5-Y243 HydrophobicContact CG1-CD2 4.31Å; I5-Y243 HydrophobicContact CG1-CE2 4.02Å; A150-Y243 WeakPolarHBondContact CA-OH 3.37Å; A150-Y243 HydrophobicContact CB-CE1 4.38Å; A150-Y243 VanDerWaalsContact CB-OH 3.23Å; A150-Y243 WeakPolarHBondContact CB-OH 3.25Å; P156-Y243 HydrophobicContact CB-CD1 3.35Å; P156-Y243 HydrophobicContact CB-CD2 4.05Å; P156-Y243 HydrophobicContact CB-CE1 3.71Å; P156-Y243 HydrophobicContact CB-CE2 4.32Å; P156-Y243 HydrophobicContact CB-CG 3.57Å; P156-Y243 HydrophobicContact CG-CD1 4.12Å; P156-Y243 HydrophobicContact CG-CE1 4.3Å; Q157-Y243 WeakPolarHBondContact O-CB 3.47Å; S158-Y243 WeakPolarHBondContact CA-O 3Å; V213-Y243 WeakPolarHBondContact O-CA 3.38Å; L214-Y243 HydrophobicContact CB-CD1 4.33Å; L214-Y243 HydrophobicContact CB-CE1 3.99Å |
| 244 | N | 96.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 12 Ų | 12 | 3% | 0.032 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 175 | 178.1 | -158.4 | -0.9 | 0 | 0 | 0 | 110.9 | S158 L160 V212 V213 C215 N217 G242 Q246 Y248 | S158-N244 PolarHBondContact OG-OD1 3.03Å; L160-N244 WeakPolarHBondContact CB-OD1 3.45Å; V212-N244 CarbonylContact C-O 3.49Å; V212-N244 VanDerWaalsContact CA-O 3.27Å; V212-N244 WeakPolarHBondContact CA-O 3.42Å; V213-N244 PolarHBondContact N-O 2.94Å; V213-N244 PolarHBondContact O-N 2.83Å; V213-N244 VanDerWaalsContact O-O 3.11Å; C215-N244 HydrophobicContact CB-CB 3.97Å; C215-N244 PolarHBondContact SG-O 2.83Å; N217-N244 VanDerWaalsContact OD1-CB 3.25Å; N217-N244 WeakPolarHBondContact OD1-CB 3.27Å; N217-N244 PolarHBondContact OD1-ND2 2.88Å; G242-N244 PolarHBondContact O-N 3.5Å; N244-Q246 PolarHBondContact O-N 3.47Å; N244-Y248 WeakPolarHBondContact ND2-CD1 3.48Å; N244-Y248 WeakPolarHBondContact ND2-CE1 3.36Å |
| 245 | Y | 97.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 8.4 Ų | 8.4 | 12% | 0.118 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.9 | 174.7 | -58.7 | -82.1 | 0 | 0 | 0 | 110 | S158 L160 W161 V212 A247 Y248 D249 F310 | S158-Y245 WeakPolarHBondContact OG-CE2 3.44Å; L160-Y245 HydrophobicContact CD2-CD2 4.06Å; L160-Y245 HydrophobicContact CD2-CE2 4.34Å; W161-Y245 HydrophobicContact CZ2-CE2 4.16Å; W161-Y245 AromaticContact NE1-CE2 3.58Å; W161-Y245 AromaticContact NE1-CZ 3.78Å; W161-Y245 PolarHBondContact NE1-OH 2.66Å; W161-Y245 VanDerWaalsContact NE1-OH 3.14Å; V212-Y245 HydrophobicContact CG2-CD1 4.15Å; V212-Y245 HydrophobicContact CG2-CE1 4.19Å; Y245-A247 PolarHBondContact O-N 3.48Å; Y245-Y248 WeakPolarHBondContact O-CB 3.33Å; Y245-Y248 PolarHBondContact O-N 3.02Å; Y245-D249 PolarHBondContact O-N 2.82Å; Y245-F310 HydrophobicContact CD1-CE1 4.2Å; Y245-F310 AromaticContact CD1-CZ 3.71Å; Y245-F310 HydrophobicContact CD1-CZ 3.71Å; Y245-F310 HydrophobicContact CD2-CD1 4.39Å; Y245-F310 AromaticContact CD2-CE1 3.4Å; Y245-F310 HydrophobicContact CD2-CE1 3.4Å; Y245-F310 VanDerWaalsContact CD2-CE1 3.4Å; Y245-F310 AromaticContact CD2-CZ 3.79Å; Y245-F310 HydrophobicContact CD2-CZ 3.79Å; Y245-F310 HydrophobicContact CE1-CZ 4.17Å; Y245-F310 AromaticContact CE2-CE1 3.99Å; Y245-F310 HydrophobicContact CE2-CE1 3.99Å; Y245-F310 HydrophobicContact CE2-CZ 4.24Å; Y245-F310 HydrophobicContact CG-CD1 4.46Å; Y245-F310 AromaticContact CG-CE1 3.52Å; Y245-F310 HydrophobicContact CG-CE1 3.52Å; Y245-F310 HydrophobicContact CG-CE2 4.43Å; Y245-F310 AromaticContact CG-CZ 3.49Å; Y245-F310 HydrophobicContact CG-CZ 3.49Å; Y245-F310 VanDerWaalsContact CG-CZ 3.49Å |
| 246 | Q | 98.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 8.9 Ų | 8.9 | 4% | 0.042 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -52.1 | -43 | 175 | 176 | -177.9 | 79 | 0 | 0 | 111.6 | P211 V213 N244 Y248 D249 I250 Y281 | P211-Q246 HydrophobicContact CG-CB 3.95Å; P211-Q246 PolarHBondContact O-N 3.43Å; V213-Q246 HydrophobicContact CG1-CB 4.47Å; V213-Q246 HydrophobicContact CG2-CB 3.84Å; V213-Q246 HydrophobicContact CG2-CG 4.44Å; N244-Q246 PolarHBondContact O-N 3.47Å; Q246-Y248 VanDerWaalsContact C-N 3.29Å; Q246-Y248 PolarHBondContact O-N 3.38Å; Q246-D249 PolarHBondContact O-N 3.23Å; Q246-I250 HydrophobicContact CG-CD1 3.99Å; Q246-I250 WeakPolarHBondContact O-CG1 3.41Å; Q246-I250 PolarHBondContact O-N 2.85Å; Q246-Y281 VanDerWaalsContact CD-OH 3.26Å; Q246-Y281 HydrophobicContact CG-CE1 4.35Å; Q246-Y281 WeakPolarHBondContact CG-OH 3.42Å; Q246-Y281 PolarHBondContact NE2-OH 3.05Å |
| 247 | A | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.5 | -27.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S210 Y245 G251 Q306 V307 F310 | S210-A247 WeakPolarHBondContact OG-CB 3.4Å; S210-A247 PolarHBondContact OG-N 3.4Å; S210-A247 VanDerWaalsContact OG-N 3.07Å; Y245-A247 PolarHBondContact O-N 3.48Å; A247-G251 PolarHBondContact O-N 3.09Å; A247-Q306 HydrophobicContact CB-CB 3.72Å; A247-V307 HydrophobicContact CB-CG2 4.09Å; A247-F310 HydrophobicContact CB-CB 4.02Å; A247-F310 HydrophobicContact CB-CD2 3.55Å; A247-F310 HydrophobicContact CB-CE2 4.27Å; A247-F310 HydrophobicContact CB-CG 3.98Å |
| 248 | Y | 98.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | 173.6 | 176.2 | -85.9 | 0 | 0 | 0 | 111.1 | L160 N217 N244 Y245 Q246 I250 G251 N252 A313 F317 | L160-Y248 HydrophobicContact CD1-CD2 3.98Å; L160-Y248 HydrophobicContact CD1-CE2 3.55Å; L160-Y248 HydrophobicContact CD2-CD2 3.62Å; L160-Y248 HydrophobicContact CD2-CE2 4.05Å; L160-Y248 HydrophobicContact CD2-CG 4.21Å; L160-Y248 HydrophobicContact CG-CD2 4.47Å; L160-Y248 HydrophobicContact CG-CE2 4.46Å; N217-Y248 HydrophobicContact CB-CE1 4.26Å; N244-Y248 WeakPolarHBondContact ND2-CD1 3.48Å; N244-Y248 WeakPolarHBondContact ND2-CE1 3.36Å; Y245-Y248 WeakPolarHBondContact O-CB 3.33Å; Y245-Y248 PolarHBondContact O-N 3.02Å; Q246-Y248 VanDerWaalsContact C-N 3.29Å; Q246-Y248 PolarHBondContact O-N 3.38Å; Y248-I250 PolarHBondContact O-N 3.05Å; Y248-G251 PolarHBondContact O-N 3.34Å; Y248-N252 HydrophobicContact CE1-CB 4.41Å; Y248-N252 VanDerWaalsContact O-CB 3.23Å; Y248-N252 WeakPolarHBondContact O-CB 3.37Å; Y248-N252 PolarHBondContact O-N 2.83Å; Y248-A313 HydrophobicContact CD2-CB 3.96Å; Y248-A313 HydrophobicContact CE2-CB 4.11Å; Y248-F317 WeakPolarHBondContact OH-CB 3.35Å; Y248-F317 WeakPolarHBondContact OH-CG 3.38Å |
| 249 | D | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | -174.4 | -153.4 | 19.9 | 0 | 0 | 0 | 111.7 | H146 C215 H216 N217 Y245 Q246 N252 H253 | H146-D249 IonicContact CE1-OD2 2.85Å; H146-D249 IonicContact NE2-OD2 3.74Å; H146-D249 PolarHBondContact NE2-OD2 3.12Å; C215-D249 WeakPolarHBondContact CA-OD2 3.45Å; C215-D249 HydrophobicContact CB-CB 3.86Å; C215-D249 VanDerWaalsContact CB-OD2 3.31Å; C215-D249 WeakPolarHBondContact CB-OD2 3.3Å; H216-D249 PolarHBondContact N-OD2 3.41Å; N217-D249 VanDerWaalsContact CA-OD1 3.22Å; N217-D249 WeakPolarHBondContact CA-OD1 3.21Å; N217-D249 PolarHBondContact N-OD1 3Å; Y245-D249 PolarHBondContact O-N 2.82Å; Q246-D249 PolarHBondContact O-N 3.23Å; D249-N252 PolarHBondContact O-N 3.29Å; D249-H253 PolarHBondContact O-N 2.96Å |
| 250 | I | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 174 | -58.3 | 167.4 | 0 | 0 | 0 | 110.7 | L142 Q246 Y248 N252 H253 F254 W277 L278 Y281 L303 V307 | L142-I250 HydrophobicContact CD2-CG1 4.07Å; Q246-I250 HydrophobicContact CG-CD1 3.99Å; Q246-I250 WeakPolarHBondContact O-CG1 3.41Å; Q246-I250 PolarHBondContact O-N 2.85Å; Y248-I250 PolarHBondContact O-N 3.05Å; I250-N252 VanDerWaalsContact C-N 3.27Å; I250-N252 PolarHBondContact O-N 3.22Å; I250-H253 WeakPolarHBondContact O-CB 3.35Å; I250-H253 PolarHBondContact O-N 2.83Å; I250-H253 VanDerWaalsContact O-N 3.14Å; I250-F254 HydrophobicContact CG2-CD2 4.45Å; I250-F254 HydrophobicContact CG2-CE1 4.2Å; I250-F254 HydrophobicContact CG2-CE2 3.99Å; I250-F254 HydrophobicContact CG2-CZ 3.86Å; I250-F254 PolarHBondContact O-N 3.3Å; I250-W277 HydrophobicContact CB-CH2 4.42Å; I250-W277 HydrophobicContact CB-CZ3 4.31Å; I250-W277 HydrophobicContact CD1-CZ3 4.11Å; I250-W277 HydrophobicContact CG1-CH2 3.98Å; I250-W277 HydrophobicContact CG1-CZ3 3.96Å; I250-W277 HydrophobicContact CG2-CE3 4.06Å; I250-W277 HydrophobicContact CG2-CH2 3.82Å; I250-W277 HydrophobicContact CG2-CZ3 3.42Å; I250-W277 VanDerWaalsContact CG2-CZ3 3.42Å; I250-L278 HydrophobicContact CD1-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD2 3.86Å; I250-Y281 HydrophobicContact CD1-CD1 4.18Å; I250-Y281 HydrophobicContact CD1-CD2 4.4Å; I250-Y281 HydrophobicContact CD1-CE1 4Å; I250-Y281 HydrophobicContact CD1-CE2 4.21Å; I250-Y281 HydrophobicContact CD1-CG 4.41Å; I250-L303 HydrophobicContact CD1-CD1 4.37Å; I250-L303 HydrophobicContact CD1-CD2 4.27Å; I250-V307 HydrophobicContact CB-CG1 4.29Å; I250-V307 HydrophobicContact CB-CG2 3.87Å; I250-V307 HydrophobicContact CD1-CG2 4.17Å; I250-V307 HydrophobicContact CG2-CB 4.48Å; I250-V307 HydrophobicContact CG2-CG1 3.77Å; I250-V307 HydrophobicContact CG2-CG2 3.8Å |
| 251 | G | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.5 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A247 Y248 F254 N255 | A247-G251 PolarHBondContact O-N 3.09Å; Y248-G251 PolarHBondContact O-N 3.34Å; G251-F254 PolarHBondContact O-N 3.33Å; G251-N255 PolarHBondContact O-N 3.46Å; G251-N255 VanDerWaalsContact O-N 3.15Å |
| 252 | N | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -51.3 | 170.9 | -172.9 | 78.7 | 0 | 0 | 0 | 110.6 | Y248 D249 I250 F254 N255 E256 S314 W318 | Y248-N252 HydrophobicContact CE1-CB 4.41Å; Y248-N252 VanDerWaalsContact O-CB 3.23Å; Y248-N252 WeakPolarHBondContact O-CB 3.37Å; Y248-N252 PolarHBondContact O-N 2.83Å; D249-N252 PolarHBondContact O-N 3.29Å; I250-N252 VanDerWaalsContact C-N 3.27Å; I250-N252 PolarHBondContact O-N 3.22Å; N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 3.44Å; N252-N255 WeakPolarHBondContact O-CB 3.45Å; N252-N255 PolarHBondContact O-N 3Å; N252-E256 WeakPolarHBondContact O-CG 3.36Å; N252-E256 PolarHBondContact O-N 3.21Å; N252-S314 WeakPolarHBondContact OD1-CB 3.32Å; N252-S314 PolarHBondContact OD1-OG 2.53Å; N252-W318 PolarHBondContact OD1-NE1 3.14Å |
| 253 | H | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.5 | -40.2 | 177.9 | -179.1 | 56.3 | 0 | 0 | 0 | 112.8 | L219 D249 I250 N255 E256 F257 W277 | L219-H253 HydrophobicContact CB-CB 4.29Å; L219-H253 HydrophobicContact CD2-CB 4.2Å; L219-H253 PolarHBondContact O-ND1 2.98Å; D249-H253 PolarHBondContact O-N 2.96Å; I250-H253 WeakPolarHBondContact O-CB 3.35Å; I250-H253 PolarHBondContact O-N 2.83Å; I250-H253 VanDerWaalsContact O-N 3.14Å; H253-N255 VanDerWaalsContact C-N 3.34Å; H253-N255 PolarHBondContact O-N 2.64Å; H253-E256 WeakPolarHBondContact O-CB 3.45Å; H253-E256 PolarHBondContact O-N 2.99Å; H253-E256 VanDerWaalsContact O-N 3.15Å; H253-F257 AromaticContact NE2-CE2 3.8Å; H253-F257 WeakPolarHBondContact O-CD2 3.27Å; H253-W277 AromaticContact CD2-CZ2 3.94Å |
| 254 | F | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 175.7 | -69.3 | -9.9 | 0 | 0 | 0 | 113.2 | I250 G251 N252 E256 F257 Y268 P269 Q274 W277 L278 V307 | I250-F254 HydrophobicContact CG2-CD2 4.45Å; I250-F254 HydrophobicContact CG2-CE1 4.2Å; I250-F254 HydrophobicContact CG2-CE2 3.99Å; I250-F254 HydrophobicContact CG2-CZ 3.86Å; I250-F254 PolarHBondContact O-N 3.3Å; G251-F254 PolarHBondContact O-N 3.33Å; N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 3.44Å; F254-E256 PolarHBondContact O-N 3Å; F254-F257 HydrophobicContact CD1-CE2 4.24Å; F254-F257 WeakPolarHBondContact O-CB 3.44Å; F254-F257 PolarHBondContact O-N 3.35Å; F254-Y268 HydrophobicContact CB-CD2 4.47Å; F254-Y268 HydrophobicContact CB-CE2 3.71Å; F254-Y268 WeakPolarHBondContact O-CD2 3.44Å; F254-P269 HydrophobicContact CB-CG 3.84Å; F254-P269 HydrophobicContact CD1-CG 3.95Å; F254-P269 HydrophobicContact CD2-CG 4.14Å; F254-P269 HydrophobicContact CG-CG 3.73Å; F254-Q274 HydrophobicContact CD2-CG 4.03Å; F254-Q274 HydrophobicContact CE2-CB 4.05Å; F254-Q274 HydrophobicContact CE2-CG 3.69Å; F254-Q274 HydrophobicContact CZ-CB 4.42Å; F254-Q274 HydrophobicContact CZ-CG 4.25Å; F254-W277 HydrophobicContact CE1-CB 4.39Å; F254-W277 AromaticContact CE1-CD2 3.64Å; F254-W277 HydrophobicContact CE1-CD2 3.64Å; F254-W277 AromaticContact CE1-CE2 3.94Å; F254-W277 AromaticContact CE1-CE3 3.94Å; F254-W277 HydrophobicContact CE1-CE3 3.94Å; F254-W277 AromaticContact CE1-CG 3.83Å; F254-W277 HydrophobicContact CE1-CG 3.83Å; F254-W277 HydrophobicContact CZ-CB 4.22Å; F254-W277 AromaticContact CZ-CD2 3.82Å; F254-W277 HydrophobicContact CZ-CD2 3.82Å; F254-W277 AromaticContact CZ-CE3 3.72Å; F254-W277 HydrophobicContact CZ-CE3 3.72Å; F254-W277 HydrophobicContact CZ-CG 4.04Å; F254-W277 HydrophobicContact CZ-CZ3 4.43Å; F254-L278 HydrophobicContact CE2-CD2 4.34Å; F254-L278 HydrophobicContact CZ-CD2 4.22Å; F254-L278 HydrophobicContact CZ-CG 4.4Å; F254-V307 HydrophobicContact CD2-CG1 3.68Å; F254-V307 HydrophobicContact CE2-CG1 3.7Å |
| 255 | N | 97.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -30.4 | 173.4 | -71.9 | -20.7 | 0 | 0 | 0 | 112.2 | G251 N252 H253 F257 A258 Y268 S311 S314 H315 | G251-N255 PolarHBondContact O-N 3.46Å; G251-N255 VanDerWaalsContact O-N 3.15Å; N252-N255 WeakPolarHBondContact O-CB 3.45Å; N252-N255 PolarHBondContact O-N 3Å; H253-N255 VanDerWaalsContact C-N 3.34Å; H253-N255 PolarHBondContact O-N 2.64Å; N255-F257 PolarHBondContact O-N 3.46Å; N255-A258 WeakPolarHBondContact O-CB 3.26Å; N255-A258 PolarHBondContact O-N 3.17Å; N255-Y268 WeakPolarHBondContact OD1-CE2 3.29Å; N255-S311 PolarHBondContact ND2-O 3.03Å; N255-S314 WeakPolarHBondContact ND2-CB 3.32Å; N255-S314 PolarHBondContact ND2-OG 3.31Å; N255-H315 VanDerWaalsContact CG-CE1 3.48Å; N255-H315 PolarHBondContact OD1-CE1 3.48Å; N255-H315 PolarHBondContact OD1-NE2 3.23Å |
| 256 | E | 95.5 | Very high | 94 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -72 | -8.8 | -179.7 | -58.8 | -55.6 | 131.2 | 0 | 0 | 113.4 | L220 N252 H253 F254 A258 G259 R342 | L220-E256 HydrophobicContact CB-CB 4.35Å; L220-E256 HydrophobicContact CB-CG 3.87Å; L220-E256 WeakPolarHBondContact CB-OE2 3.45Å; N252-E256 WeakPolarHBondContact O-CG 3.36Å; N252-E256 PolarHBondContact O-N 3.21Å; H253-E256 WeakPolarHBondContact O-CB 3.45Å; H253-E256 PolarHBondContact O-N 2.99Å; H253-E256 VanDerWaalsContact O-N 3.15Å; F254-E256 PolarHBondContact O-N 3Å; E256-A258 PolarHBondContact O-N 3Å; E256-G259 PolarHBondContact O-N 2.93Å; E256-G259 VanDerWaalsContact O-N 3.12Å; E256-R342 IonicContact OE1-NH1 3.19Å; E256-R342 PolarHBondContact OE1-NH1 2.77Å |
| 257 | F | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -63.5 | -25.8 | 171.4 | -80.3 | -128.5 | 0 | 0 | 0 | 112.4 | I129 R130 H253 F254 N255 G259 H267 P269 L273 | I129-F257 HydrophobicContact CB-CE2 4.41Å; I129-F257 HydrophobicContact CB-CZ 4.49Å; I129-F257 HydrophobicContact CD1-CD2 3.65Å; I129-F257 HydrophobicContact CD1-CE2 3.93Å; I129-F257 HydrophobicContact CD1-CG 4.13Å; I129-F257 HydrophobicContact CG1-CD2 4.24Å; I129-F257 HydrophobicContact CG1-CE2 4.24Å; I129-F257 HydrophobicContact CG1-CG 4.47Å; I129-F257 HydrophobicContact CG1-CZ 4.48Å; I129-F257 WeakPolarHBondContact O-CZ 3.09Å; R130-F257 HydrophobicContact CG-CD1 3.83Å; R130-F257 HydrophobicContact CG-CE1 4.21Å; R130-F257 PolarHBondContact NE-O 2.88Å; R130-F257 PolarHBondContact NH2-O 3.07Å; H253-F257 AromaticContact NE2-CE2 3.8Å; H253-F257 WeakPolarHBondContact O-CD2 3.27Å; F254-F257 HydrophobicContact CD1-CE2 4.24Å; F254-F257 WeakPolarHBondContact O-CB 3.44Å; F254-F257 PolarHBondContact O-N 3.35Å; N255-F257 PolarHBondContact O-N 3.46Å; F257-G259 PolarHBondContact O-N 2.94Å; F257-H267 WeakPolarHBondContact CB-O 3.46Å; F257-H267 WeakPolarHBondContact O-CB 3.46Å; F257-P269 HydrophobicContact CD1-CB 4.06Å; F257-P269 HydrophobicContact CD1-CG 4.19Å; F257-P269 HydrophobicContact CE1-CB 3.99Å; F257-P269 HydrophobicContact CE1-CG 4.31Å; F257-P269 HydrophobicContact CG-CG 4.37Å; F257-L273 HydrophobicContact CE1-CD2 4.1Å |
| 258 | A | 93.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -70.5 | -16.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N255 E256 V263 D264 Y265 | N255-A258 WeakPolarHBondContact O-CB 3.26Å; N255-A258 PolarHBondContact O-N 3.17Å; E256-A258 PolarHBondContact O-N 3Å; A258-V263 HydrophobicContact CB-CG1 4.18Å; A258-V263 WeakPolarHBondContact O-CA 3.28Å; A258-D264 VanDerWaalsContact CA-O 3.3Å; A258-D264 WeakPolarHBondContact CA-O 3.12Å; A258-D264 WeakPolarHBondContact CB-O 3.47Å; A258-D264 PolarHBondContact O-N 3.28Å; A258-Y265 HydrophobicContact CB-CD1 3.58Å; A258-Y265 HydrophobicContact CB-CE1 3.9Å; A258-Y265 HydrophobicContact CB-CG 4.35Å |
| 259 | G | 89.4 | Confident | 93.6 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | 78.4 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E256 F257 | E256-G259 PolarHBondContact O-N 2.93Å; E256-G259 VanDerWaalsContact O-N 3.12Å; F257-G259 PolarHBondContact O-N 2.94Å | ||
| 260 | L | 82.3 | Confident | 93.5 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -116.5 | -47.5 | -174.9 | -177.2 | 61.8 | 0 | 0 | 0 | 113.2 | I55 F333 Y338 | I55-L260 HydrophobicContact CD1-CD2 3.43Å; I55-L260 VanDerWaalsContact CD1-CD2 3.43Å; I55-L260 HydrophobicContact CD1-CG 4.49Å; L260-F333 HydrophobicContact CD1-CZ 4.28Å; L260-Y338 HydrophobicContact CD1-CD2 4.23Å; L260-Y338 HydrophobicContact CD1-CE1 4.37Å; L260-Y338 HydrophobicContact CD1-CE2 3.47Å; L260-Y338 VanDerWaalsContact CD1-CE2 3.47Å |
| 261 | N | 78.7 | Confident | 93.4 | Very high | 146 Ų | 146 | 47.7 Ų | 47.7 | 78% | 0.781 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -75.6 | -42.8 | -179.7 | -65.4 | -16.9 | 0 | 0 | 0 | 111.6 | ||
| 262 | E | 83.8 | Confident | 93.4 | Very high | 176 Ų | 176 | 50.2 Ų | 50.2 | 82% | 0.822 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -121.7 | 86 | 176 | -66 | -178.1 | -176.4 | 0 | 0 | 107.6 | D264 | E262-D264 PolarHBondContact O-N 2.88Š|
| 263 | V | 91.1 | Very high | 93.3 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | trans | -71.5 | 113.4 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | A258 Y265 Y338 L341 | A258-V263 HydrophobicContact CB-CG1 4.18Å; A258-V263 WeakPolarHBondContact O-CA 3.28Å; V263-Y265 HydrophobicContact CG1-CD1 4.43Å; V263-Y265 HydrophobicContact CG1-CD2 4.1Å; V263-Y265 HydrophobicContact CG1-CE1 4Å; V263-Y265 HydrophobicContact CG1-CE2 3.66Å; V263-Y265 HydrophobicContact CG1-CG 4.47Å; V263-Y338 HydrophobicContact CG2-CD2 4.42Å; V263-Y338 HydrophobicContact CG2-CE2 4.2Å; V263-L341 HydrophobicContact CB-CD1 4.34Å; V263-L341 HydrophobicContact CG2-CD1 4.28Å | ||
| 264 | D | 93.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | trans | -126.1 | 101.6 | 170.3 | -177.1 | 6.2 | 0 | 0 | 0 | 111.4 | A258 E262 S266 H267 | A258-D264 VanDerWaalsContact CA-O 3.3Å; A258-D264 WeakPolarHBondContact CA-O 3.12Å; A258-D264 WeakPolarHBondContact CB-O 3.47Å; A258-D264 PolarHBondContact O-N 3.28Å; E262-D264 PolarHBondContact O-N 2.88Å; D264-S266 PolarHBondContact O-N 3.38Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CB 3.47Å; D264-S266 PolarHBondContact OD1-N 2.94Å; D264-S266 PolarHBondContact OD1-OG 3.26Å; D264-S266 PolarHBondContact OD2-OG 3.2Å; D264-H267 WeakPolarHBondContact O-CB 3.46Å; D264-H267 PolarHBondContact O-N 2.95Å; D264-H267 VanDerWaalsContact O-N 3.08Å; D264-H267 IonicContact OD2-CD2 2.96Å; D264-H267 IonicContact OD2-CE1 2.68Å; D264-H267 IonicContact OD2-NE2 3.46Å | ||
| 265 | Y | 94.2 | Very high | 93.3 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -68.2 | -8.4 | 178 | -66.6 | -61.9 | 0 | 0 | 0 | 114.1 | A258 V263 H267 Y268 H315 Q345 | A258-Y265 HydrophobicContact CB-CD1 3.58Å; A258-Y265 HydrophobicContact CB-CE1 3.9Å; A258-Y265 HydrophobicContact CB-CG 4.35Å; V263-Y265 HydrophobicContact CG1-CD1 4.43Å; V263-Y265 HydrophobicContact CG1-CD2 4.1Å; V263-Y265 HydrophobicContact CG1-CE1 4Å; V263-Y265 HydrophobicContact CG1-CE2 3.66Å; V263-Y265 HydrophobicContact CG1-CG 4.47Å; Y265-H267 PolarHBondContact O-N 3.4Å; Y265-Y268 WeakPolarHBondContact O-CB 3.4Å; Y265-Y268 PolarHBondContact O-N 3Å; Y265-H315 AromaticContact CE1-CE1 3.65Å; Y265-Q345 HydrophobicContact CD1-CG 3.78Å; Y265-Q345 HydrophobicContact CD2-CB 4.12Å; Y265-Q345 HydrophobicContact CD2-CG 3.95Å; Y265-Q345 HydrophobicContact CE1-CB 4.13Å; Y265-Q345 HydrophobicContact CE1-CG 3.67Å; Y265-Q345 HydrophobicContact CE2-CB 3.59Å; Y265-Q345 HydrophobicContact CE2-CG 3.82Å; Y265-Q345 VanDerWaalsContact CG-CD 3.5Å; Y265-Q345 HydrophobicContact CG-CG 3.92Å |
| 266 | S | 93.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 57.7 Ų | 57.7 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.3 | 168.6 | 88 | 0 | 0 | 0 | 0 | 112.2 | D264 | D264-S266 PolarHBondContact O-N 3.38Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CB 3.47Å; D264-S266 PolarHBondContact OD1-N 2.94Å; D264-S266 PolarHBondContact OD1-OG 3.26Å; D264-S266 PolarHBondContact OD2-OG 3.2Å |
| 267 | H | 95 | Very high | 93.4 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -84.9 | -5.6 | 178.6 | -65.3 | -37.4 | 0 | 0 | 0 | 114.6 | R130 F257 D264 Y265 | R130-H267 PolarHBondContact NH1-CD2 3.42Å; R130-H267 PolarHBondContact NH1-CE1 3.03Å; R130-H267 PolarHBondContact NH1-NE2 3.23Å; R130-H267 VanDerWaalsContact NH1-NE2 3.12Å; R130-H267 PolarHBondContact NH2-CD2 3.32Å; F257-H267 WeakPolarHBondContact CB-O 3.46Å; F257-H267 WeakPolarHBondContact O-CB 3.46Å; D264-H267 WeakPolarHBondContact O-CB 3.46Å; D264-H267 PolarHBondContact O-N 2.95Å; D264-H267 VanDerWaalsContact O-N 3.08Å; D264-H267 IonicContact OD2-CD2 2.96Å; D264-H267 IonicContact OD2-CE1 2.68Å; D264-H267 IonicContact OD2-NE2 3.46Å; Y265-H267 PolarHBondContact O-N 3.4Å |
| 268 | Y | 95.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -54 | 133.9 | 173.1 | -172.6 | -92.5 | 0 | 0 | 0 | 109.7 | F254 N255 Y265 E270 N308 | F254-Y268 HydrophobicContact CB-CD2 4.47Å; F254-Y268 HydrophobicContact CB-CE2 3.71Å; F254-Y268 WeakPolarHBondContact O-CD2 3.44Å; N255-Y268 WeakPolarHBondContact OD1-CE2 3.29Å; Y265-Y268 WeakPolarHBondContact O-CB 3.4Å; Y265-Y268 PolarHBondContact O-N 3Å; Y268-E270 PolarHBondContact O-N 3.4Å; Y268-N308 PolarHBondContact OH-OD1 2.87Å |
| 269 | P | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.3 | -169.9 | 24.9 | -34.3 | 0 | 0 | 0 | 110.9 | F254 F257 L273 Q274 | F254-P269 HydrophobicContact CB-CG 3.84Å; F254-P269 HydrophobicContact CD1-CG 3.95Å; F254-P269 HydrophobicContact CD2-CG 4.14Å; F254-P269 HydrophobicContact CG-CG 3.73Å; F257-P269 HydrophobicContact CD1-CB 4.06Å; F257-P269 HydrophobicContact CD1-CG 4.19Å; F257-P269 HydrophobicContact CE1-CB 3.99Å; F257-P269 HydrophobicContact CE1-CG 4.31Å; F257-P269 HydrophobicContact CG-CG 4.37Å; P269-L273 HydrophobicContact CB-CB 4.4Å; P269-L273 HydrophobicContact CB-CD2 3.87Å; P269-L273 HydrophobicContact CB-CG 4.19Å; P269-Q274 HydrophobicContact CB-CG 3.9Å; P269-Q274 HydrophobicContact CG-CG 3.82Å; P269-Q274 WeakPolarHBondContact O-CG 3.49Å; P269-Q274 PolarHBondContact O-NE2 2.95Å |
| 270 | E | 96 | Very high | 94.3 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 161.1 | 173.7 | 56.1 | 168.1 | -160.5 | 0 | 0 | 111.7 | Y268 S272 L273 Q274 | Y268-E270 PolarHBondContact O-N 3.4Å; E270-S272 VanDerWaalsContact C-N 3.28Å; E270-S272 VanDerWaalsContact CG-OG 3.3Å; E270-S272 WeakPolarHBondContact CG-OG 3.34Å; E270-S272 PolarHBondContact O-N 3.45Å; E270-S272 PolarHBondContact OE1-OG 2.89Å; E270-L273 HydrophobicContact CG-CB 4.34Å; E270-L273 PolarHBondContact O-N 2.94Å; E270-Q274 WeakPolarHBondContact O-CG 3.47Å; E270-Q274 PolarHBondContact O-N 3.19Å |
| 271 | R | 97.1 | Very high | 95.1 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.8 | -43.2 | -174.8 | -176.2 | 174.1 | -171.6 | -87.9 | -0.2 | 113 | L273 Q274 L275 E301 Y304 | R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.81Å; R271-Q274 PolarHBondContact O-N 2.89Å; R271-L275 HydrophobicContact CG-CD1 4.07Å; R271-L275 HydrophobicContact CG-CG 4.25Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.44Å; R271-L275 PolarHBondContact O-N 3.14Å; R271-E301 IonicContact CZ-OE1 3.52Å; R271-E301 IonicContact CZ-OE2 2.59Å; R271-E301 IonicContact NH1-OE1 2.78Å; R271-E301 IonicContact NH2-OE1 3.39Å; R271-E301 PolarHBondContact NH2-OE1 3.21Å; R271-E301 IonicContact NH2-OE2 2.81Å; R271-E301 PolarHBondContact NH2-OE2 3.14Å; R271-Y304 HydrophobicContact CB-CE2 4.34Å; R271-Y304 HydrophobicContact CG-CE2 3.81Å |
| 272 | S | 96.8 | Very high | 96 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | E270 Q276 | E270-S272 VanDerWaalsContact C-N 3.28Å; E270-S272 VanDerWaalsContact CG-OG 3.3Å; E270-S272 WeakPolarHBondContact CG-OG 3.34Å; E270-S272 PolarHBondContact O-N 3.45Å; E270-S272 PolarHBondContact OE1-OG 2.89Å; S272-Q276 WeakPolarHBondContact O-CG 3.31Å; S272-Q276 PolarHBondContact O-N 3.41Å; S272-Q276 PolarHBondContact O-NE2 3.03Å |
| 273 | L | 96.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.6 | -42.5 | 177.9 | 178.9 | 58.5 | 0 | 0 | 0 | 110.8 | L132 F257 P269 E270 R271 L275 Q276 W277 | L132-L273 HydrophobicContact CD1-CD1 3.83Å; F257-L273 HydrophobicContact CE1-CD2 4.1Å; P269-L273 HydrophobicContact CB-CB 4.4Å; P269-L273 HydrophobicContact CB-CD2 3.87Å; P269-L273 HydrophobicContact CB-CG 4.19Å; E270-L273 HydrophobicContact CG-CB 4.34Å; E270-L273 PolarHBondContact O-N 2.94Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.81Å; L273-L275 PolarHBondContact O-N 2.84Å; L273-Q276 PolarHBondContact O-N 2.95Å; L273-W277 WeakPolarHBondContact O-CB 3.34Å; L273-W277 PolarHBondContact O-N 3.48Å |
| 274 | Q | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 175.9 | -68.7 | -174.1 | 50.3 | 0 | 0 | 111.3 | F254 P269 E270 R271 Q276 W277 L278 Y304 N308 | F254-Q274 HydrophobicContact CD2-CG 4.03Å; F254-Q274 HydrophobicContact CE2-CB 4.05Å; F254-Q274 HydrophobicContact CE2-CG 3.69Å; F254-Q274 HydrophobicContact CZ-CB 4.42Å; F254-Q274 HydrophobicContact CZ-CG 4.25Å; P269-Q274 HydrophobicContact CB-CG 3.9Å; P269-Q274 HydrophobicContact CG-CG 3.82Å; P269-Q274 WeakPolarHBondContact O-CG 3.49Å; P269-Q274 PolarHBondContact O-NE2 2.95Å; E270-Q274 WeakPolarHBondContact O-CG 3.47Å; E270-Q274 PolarHBondContact O-N 3.19Å; R271-Q274 PolarHBondContact O-N 2.89Å; Q274-Q276 VanDerWaalsContact C-N 3.32Å; Q274-Q276 PolarHBondContact O-N 3.13Å; Q274-W277 PolarHBondContact O-N 3.21Å; Q274-W277 VanDerWaalsContact O-N 3.16Å; Q274-L278 WeakPolarHBondContact O-CB 3.33Å; Q274-L278 WeakPolarHBondContact O-CG 3.36Å; Q274-L278 PolarHBondContact O-N 2.78Å; Q274-Y304 HydrophobicContact CB-CD2 4.17Å; Q274-Y304 HydrophobicContact CB-CE2 4.21Å; Q274-N308 PolarHBondContact OE1-ND2 3.01Å; Q274-N308 PolarHBondContact OE1-OD1 2.9Å |
| 275 | L | 98.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | -179.6 | -66.2 | 176.4 | 0 | 0 | 0 | 112.1 | R271 L273 L278 R279 V300 Y304 | R271-L275 HydrophobicContact CG-CD1 4.07Å; R271-L275 HydrophobicContact CG-CG 4.25Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.44Å; R271-L275 PolarHBondContact O-N 3.14Å; L273-L275 PolarHBondContact O-N 2.84Å; L275-L278 PolarHBondContact O-N 3.37Å; L275-R279 VanDerWaalsContact O-CB 3.26Å; L275-R279 WeakPolarHBondContact O-CB 3.45Å; L275-R279 PolarHBondContact O-N 3.49Å; L275-V300 HydrophobicContact CB-CG1 4.19Å; L275-V300 HydrophobicContact CD2-CG1 3.64Å; L275-Y304 HydrophobicContact CD2-CD2 4.1Å; L275-Y304 HydrophobicContact CD2-CG 4.14Å |
| 276 | Q | 98 | Very high | 97.4 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 46% | 0.458 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 175 | -73.5 | 173.4 | 82.7 | 0 | 0 | 112.2 | L132 S272 L273 Q274 S280 | L132-Q276 HydrophobicContact CD1-CB 4.31Å; S272-Q276 WeakPolarHBondContact O-CG 3.31Å; S272-Q276 PolarHBondContact O-N 3.41Å; S272-Q276 PolarHBondContact O-NE2 3.03Å; L273-Q276 PolarHBondContact O-N 2.95Å; Q274-Q276 VanDerWaalsContact C-N 3.32Å; Q274-Q276 PolarHBondContact O-N 3.13Å; Q276-S280 PolarHBondContact O-N 2.83Å |
| 277 | W | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 177.2 | -169.2 | 107.9 | 0 | 0 | 0 | 110.9 | S135 I138 A139 L142 I250 H253 F254 L273 Q274 R279 S280 Y281 | S135-W277 PolarHBondContact O-NE1 3.48Å; I138-W277 HydrophobicContact CG2-CZ2 4.45Å; A139-W277 VanDerWaalsContact CA-CZ2 3.48Å; A139-W277 HydrophobicContact CB-CD2 3.72Å; A139-W277 HydrophobicContact CB-CE3 4.2Å; A139-W277 HydrophobicContact CB-CG 4.12Å; A139-W277 HydrophobicContact CB-CH2 4.24Å; A139-W277 HydrophobicContact CB-CZ2 3.84Å; A139-W277 HydrophobicContact CB-CZ3 4.42Å; L142-W277 HydrophobicContact CD2-CH2 3.96Å; L142-W277 HydrophobicContact CD2-CZ2 4.45Å; I250-W277 HydrophobicContact CB-CH2 4.42Å; I250-W277 HydrophobicContact CB-CZ3 4.31Å; I250-W277 HydrophobicContact CD1-CZ3 4.11Å; I250-W277 HydrophobicContact CG1-CH2 3.98Å; I250-W277 HydrophobicContact CG1-CZ3 3.96Å; I250-W277 HydrophobicContact CG2-CE3 4.06Å; I250-W277 HydrophobicContact CG2-CH2 3.82Å; I250-W277 HydrophobicContact CG2-CZ3 3.42Å; I250-W277 VanDerWaalsContact CG2-CZ3 3.42Å; H253-W277 AromaticContact CD2-CZ2 3.94Å; F254-W277 HydrophobicContact CE1-CB 4.39Å; F254-W277 AromaticContact CE1-CD2 3.64Å; F254-W277 HydrophobicContact CE1-CD2 3.64Å; F254-W277 AromaticContact CE1-CE2 3.94Å; F254-W277 AromaticContact CE1-CE3 3.94Å; F254-W277 HydrophobicContact CE1-CE3 3.94Å; F254-W277 AromaticContact CE1-CG 3.83Å; F254-W277 HydrophobicContact CE1-CG 3.83Å; F254-W277 HydrophobicContact CZ-CB 4.22Å; F254-W277 AromaticContact CZ-CD2 3.82Å; F254-W277 HydrophobicContact CZ-CD2 3.82Å; F254-W277 AromaticContact CZ-CE3 3.72Å; F254-W277 HydrophobicContact CZ-CE3 3.72Å; F254-W277 HydrophobicContact CZ-CG 4.04Å; F254-W277 HydrophobicContact CZ-CZ3 4.43Å; L273-W277 WeakPolarHBondContact O-CB 3.34Å; L273-W277 PolarHBondContact O-N 3.48Å; Q274-W277 PolarHBondContact O-N 3.21Å; Q274-W277 VanDerWaalsContact O-N 3.16Å; W277-R279 PolarHBondContact O-N 2.87Å; W277-S280 PolarHBondContact O-N 2.89Å; W277-Y281 AromaticContact CH2-CD2 3.95Å; W277-Y281 HydrophobicContact CH2-CD2 3.95Å; W277-Y281 HydrophobicContact CH2-CG 4.33Å; W277-Y281 AromaticContact CZ3-CD2 3.95Å; W277-Y281 HydrophobicContact CZ3-CD2 3.95Å; W277-Y281 AromaticContact CZ3-CG 3.86Å; W277-Y281 HydrophobicContact CZ3-CG 3.86Å; W277-Y281 WeakPolarHBondContact O-CB 3.32Å; W277-Y281 PolarHBondContact O-N 2.76Å |
| 278 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -39 | -178.4 | -66.8 | 173.5 | 0 | 0 | 0 | 111.8 | I250 F254 Q274 L275 Y281 L282 V300 L303 Y304 V307 | I250-L278 HydrophobicContact CD1-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD2 3.86Å; F254-L278 HydrophobicContact CE2-CD2 4.34Å; F254-L278 HydrophobicContact CZ-CD2 4.22Å; F254-L278 HydrophobicContact CZ-CG 4.4Å; Q274-L278 WeakPolarHBondContact O-CB 3.33Å; Q274-L278 WeakPolarHBondContact O-CG 3.36Å; Q274-L278 PolarHBondContact O-N 2.78Å; L275-L278 PolarHBondContact O-N 3.37Å; L278-Y281 WeakPolarHBondContact O-CB 3.22Å; L278-Y281 PolarHBondContact O-N 2.62Å; L278-L282 WeakPolarHBondContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.3Å; L278-V300 HydrophobicContact CB-CG1 4.03Å; L278-L303 HydrophobicContact CB-CD2 4.3Å; L278-L303 HydrophobicContact CD2-CD2 3.71Å; L278-L303 HydrophobicContact CD2-CG 3.91Å; L278-L303 HydrophobicContact CG-CD2 4.5Å; L278-Y304 HydrophobicContact CD1-CD2 4.24Å; L278-V307 HydrophobicContact CD2-CG2 3.99Å |
| 279 | R | 98.7 | Very high | 97.4 | Very high | 53 Ų | 53 | 43 Ų | 43 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 171.6 | 176.6 | 168.9 | -70 | -70 | -6.5 | 111.1 | L275 W277 Y281 L282 E283 V295 E297 V300 | L275-R279 VanDerWaalsContact O-CB 3.26Å; L275-R279 WeakPolarHBondContact O-CB 3.45Å; L275-R279 PolarHBondContact O-N 3.49Å; W277-R279 PolarHBondContact O-N 2.87Å; R279-Y281 PolarHBondContact O-N 2.99Å; R279-L282 PolarHBondContact O-N 2.89Å; R279-L282 VanDerWaalsContact O-N 3.15Å; R279-E283 HydrophobicContact CG-CG 4.42Å; R279-E283 WeakPolarHBondContact CG-OE1 3.45Å; R279-E283 VanDerWaalsContact O-CG 3.28Å; R279-E283 WeakPolarHBondContact O-CG 3.44Å; R279-E283 PolarHBondContact O-N 3.23Å; R279-V295 PolarHBondContact NH1-O 3.25Å; R279-E297 IonicContact CZ-OE1 3.63Å; R279-E297 IonicContact NE-OE1 3.03Å; R279-E297 IonicContact NH2-OE1 3.83Å; R279-E297 PolarHBondContact NH2-OE1 3.45Å; R279-E297 IonicContact NH2-OE2 3.67Å; R279-E297 PolarHBondContact NH2-OE2 3.05Å; R279-V300 HydrophobicContact CB-CG2 3.98Å |
| 280 | S | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -32.8 | 178.6 | -177 | 0 | 0 | 0 | 0 | 112.9 | R136 R140 Q276 W277 A284 | R136-S280 WeakPolarHBondContact CG-OG 3.32Å; R140-S280 WeakPolarHBondContact CG-OG 3.44Å; Q276-S280 PolarHBondContact O-N 2.83Å; W277-S280 PolarHBondContact O-N 2.89Å; S280-A284 PolarHBondContact O-N 2.77Å |
| 281 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -51.3 | 173.5 | 169.8 | -88 | 0 | 0 | 0 | 110.9 | A139 L142 A143 H146 Q246 I250 W277 L278 R279 E283 A284 Y285 L303 | A139-Y281 WeakPolarHBondContact O-CD2 3.47Å; L142-Y281 HydrophobicContact CB-CD2 4.48Å; L142-Y281 HydrophobicContact CB-CE2 4.41Å; L142-Y281 HydrophobicContact CG-CE2 4.36Å; A143-Y281 VanDerWaalsContact CA-CE2 3.42Å; A143-Y281 HydrophobicContact CB-CD2 3.74Å; A143-Y281 HydrophobicContact CB-CE2 3.79Å; A143-Y281 HydrophobicContact CB-CG 4.33Å; A143-Y281 VanDerWaalsContact CB-O 3.3Å; A143-Y281 WeakPolarHBondContact CB-O 3.1Å; H146-Y281 WeakPolarHBondContact CB-OH 3.19Å; H146-Y281 AromaticContact ND1-CE2 3.56Å; H146-Y281 AromaticContact ND1-CZ 3.53Å; H146-Y281 PolarHBondContact ND1-OH 3.03Å; Q246-Y281 VanDerWaalsContact CD-OH 3.26Å; Q246-Y281 HydrophobicContact CG-CE1 4.35Å; Q246-Y281 WeakPolarHBondContact CG-OH 3.42Å; Q246-Y281 PolarHBondContact NE2-OH 3.05Å; I250-Y281 HydrophobicContact CD1-CD1 4.18Å; I250-Y281 HydrophobicContact CD1-CD2 4.4Å; I250-Y281 HydrophobicContact CD1-CE1 4Å; I250-Y281 HydrophobicContact CD1-CE2 4.21Å; I250-Y281 HydrophobicContact CD1-CG 4.41Å; W277-Y281 AromaticContact CH2-CD2 3.95Å; W277-Y281 HydrophobicContact CH2-CD2 3.95Å; W277-Y281 HydrophobicContact CH2-CG 4.33Å; W277-Y281 AromaticContact CZ3-CD2 3.95Å; W277-Y281 HydrophobicContact CZ3-CD2 3.95Å; W277-Y281 AromaticContact CZ3-CG 3.86Å; W277-Y281 HydrophobicContact CZ3-CG 3.86Å; W277-Y281 WeakPolarHBondContact O-CB 3.32Å; W277-Y281 PolarHBondContact O-N 2.76Å; L278-Y281 WeakPolarHBondContact O-CB 3.22Å; L278-Y281 PolarHBondContact O-N 2.62Å; R279-Y281 PolarHBondContact O-N 2.99Å; Y281-E283 PolarHBondContact O-N 3.44Å; Y281-A284 PolarHBondContact O-N 2.85Å; Y281-Y285 HydrophobicContact CE1-CG 4.44Å; Y281-Y285 VanDerWaalsContact O-CB 3.3Å; Y281-Y285 WeakPolarHBondContact O-CB 3.47Å; Y281-Y285 PolarHBondContact O-N 3.08Å; Y281-L303 HydrophobicContact CD1-CD2 3.93Å; Y281-L303 HydrophobicContact CE1-CD2 4.24Å |
| 282 | L | 98.7 | Very high | 97 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | -178 | -75.7 | 171.4 | 0 | 0 | 0 | 112.4 | L278 R279 Y285 K286 V295 E299 V300 L303 | L278-L282 WeakPolarHBondContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.3Å; R279-L282 PolarHBondContact O-N 2.89Å; R279-L282 VanDerWaalsContact O-N 3.15Å; L282-Y285 PolarHBondContact O-N 2.96Å; L282-K286 WeakPolarHBondContact O-CG 3.34Å; L282-K286 PolarHBondContact O-N 3.47Å; L282-V295 HydrophobicContact CB-CB 4.48Å; L282-V295 HydrophobicContact CB-CG1 3.87Å; L282-V295 HydrophobicContact CB-CG2 3.71Å; L282-V295 HydrophobicContact CD1-CG1 3.84Å; L282-E299 HydrophobicContact CD1-CB 4.14Å; L282-V300 HydrophobicContact CD1-CG2 4.12Å; L282-L303 HydrophobicContact CD1-CB 4.45Å; L282-L303 HydrophobicContact CD1-CD2 4.06Å; L282-L303 HydrophobicContact CD2-CD2 3.93Å; L282-L303 HydrophobicContact CG-CD2 3.84Å |
| 283 | E | 98.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.7 | -54.3 | 175.1 | -72 | 169.2 | 176.6 | 0 | 0 | 110.3 | R279 Y281 Y285 K286 E287 V295 | R279-E283 HydrophobicContact CG-CG 4.42Å; R279-E283 WeakPolarHBondContact CG-OE1 3.45Å; R279-E283 VanDerWaalsContact O-CG 3.28Å; R279-E283 WeakPolarHBondContact O-CG 3.44Å; R279-E283 PolarHBondContact O-N 3.23Å; Y281-E283 PolarHBondContact O-N 3.44Å; E283-Y285 VanDerWaalsContact C-N 3.32Å; E283-Y285 PolarHBondContact O-N 2.91Å; E283-K286 PolarHBondContact O-N 3.27Å; E283-E287 VanDerWaalsContact O-CG 3.27Å; E283-E287 WeakPolarHBondContact O-CG 3.45Å; E283-E287 PolarHBondContact O-N 3.44Å; E283-V295 HydrophobicContact CB-CG2 4.36Å; E283-V295 HydrophobicContact CG-CB 4.34Å; E283-V295 HydrophobicContact CG-CG2 3.73Å |
| 284 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R140 A143 S280 Y281 E287 H288 | R140-A284 HydrophobicContact CB-CB 3.97Å; R140-A284 HydrophobicContact CG-CB 3.86Å; A143-A284 HydrophobicContact CB-CB 3.67Å; S280-A284 PolarHBondContact O-N 2.77Å; Y281-A284 PolarHBondContact O-N 2.85Å; A284-E287 WeakPolarHBondContact O-CB 3.45Å; A284-E287 PolarHBondContact O-N 3.3Å; A284-H288 PolarHBondContact O-CD2 2.94Å; A284-H288 PolarHBondContact O-N 3.45Å |
| 285 | Y | 97.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | -179.9 | -175.7 | -103.9 | 0 | 0 | 0 | 110.6 | H146 A147 Y281 L282 E283 E287 H288 K289 | H146-Y285 HydrophobicContact CB-CD2 4.23Å; H146-Y285 HydrophobicContact CB-CE2 3.99Å; A147-Y285 HydrophobicContact CB-CD2 4.22Å; A147-Y285 HydrophobicContact CB-CE2 4.18Å; Y281-Y285 HydrophobicContact CE1-CG 4.44Å; Y281-Y285 VanDerWaalsContact O-CB 3.3Å; Y281-Y285 WeakPolarHBondContact O-CB 3.47Å; Y281-Y285 PolarHBondContact O-N 3.08Å; L282-Y285 PolarHBondContact O-N 2.96Å; E283-Y285 VanDerWaalsContact C-N 3.32Å; E283-Y285 PolarHBondContact O-N 2.91Å; Y285-E287 PolarHBondContact O-N 3.13Å; Y285-H288 PolarHBondContact O-N 3.38Å; Y285-K289 HydrophobicContact CD1-CG 4.39Å; Y285-K289 HydrophobicContact CE1-CG 4.14Å; Y285-K289 HydrophobicContact CE2-CG 4.46Å; Y285-K289 WeakPolarHBondContact O-CB 3.31Å; Y285-K289 WeakPolarHBondContact O-CG 3.19Å; Y285-K289 PolarHBondContact O-N 2.92Å |
| 286 | K | 97.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 174.6 | -71.3 | -176.1 | 178.5 | -172.1 | 0 | 112 | L282 E283 H288 K289 G290 Q291 G292 E294 V295 E299 | L282-K286 WeakPolarHBondContact O-CG 3.34Å; L282-K286 PolarHBondContact O-N 3.47Å; E283-K286 PolarHBondContact O-N 3.27Å; K286-H288 PolarHBondContact O-N 3.32Å; K286-K289 CarbonylContact O-C 3.54Å; K286-K289 PolarHBondContact O-N 2.98Å; K286-K289 VanDerWaalsContact O-N 3.13Å; K286-G290 PolarHBondContact O-N 3.01Å; K286-Q291 HydrophobicContact CB-CB 4.13Å; K286-Q291 HydrophobicContact CG-CB 4.43Å; K286-Q291 PolarHBondContact O-N 3.5Å; K286-G292 CarbonylContact C-O 3.04Å; K286-G292 WeakPolarHBondContact CB-O 3.32Å; K286-E294 VanDerWaalsContact CD-O 3.31Å; K286-E294 WeakPolarHBondContact CD-O 3.47Å; K286-E294 PolarHBondContact NZ-O 3.43Å; K286-V295 HydrophobicContact CD-CG2 4.16Å; K286-E299 WeakPolarHBondContact CE-OE1 3.46Å; K286-E299 IonicContact NZ-OE1 2.72Å; K286-E299 PolarHBondContact NZ-OE1 3.35Å; K286-E299 IonicContact NZ-OE2 3.89Å; K286-E299 PolarHBondContact NZ-OE2 3.37Å |
| 287 | E | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.6 | -50.2 | 175.8 | -74.7 | 166 | -164.3 | 0 | 0 | 110.8 | R140 E283 A284 Y285 K289 G290 G292 S293 | R140-E287 IonicContact CZ-OE2 3.85Å; R140-E287 IonicContact NH1-OE1 3.58Å; R140-E287 IonicContact NH1-OE2 2.79Å; R140-E287 IonicContact NH2-OE1 3.63Å; R140-E287 IonicContact NH2-OE2 3.88Å; R140-E287 PolarHBondContact NH2-OE2 2.98Å; E283-E287 VanDerWaalsContact O-CG 3.27Å; E283-E287 WeakPolarHBondContact O-CG 3.45Å; E283-E287 PolarHBondContact O-N 3.44Å; A284-E287 WeakPolarHBondContact O-CB 3.45Å; A284-E287 PolarHBondContact O-N 3.3Å; Y285-E287 PolarHBondContact O-N 3.13Å; E287-K289 PolarHBondContact O-N 3.49Å; E287-G290 PolarHBondContact O-N 2.99Å; E287-G292 WeakPolarHBondContact CA-O 3.19Å; E287-G292 PolarHBondContact N-O 3.31Å; E287-S293 WeakPolarHBondContact OE1-CB 3.48Å |
| 288 | H | 95.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 43% | 0.431 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -22.3 | 178.7 | -73.5 | -53.7 | 0 | 0 | 0 | 113.8 | K144 A147 A284 Y285 K286 | K144-H288 VanDerWaalsContact CA-CD2 3.48Å; K144-H288 WeakPolarHBondContact CA-CD2 3.41Å; K144-H288 WeakPolarHBondContact CB-NE2 3.25Å; A147-H288 HydrophobicContact CB-CB 3.58Å; A284-H288 PolarHBondContact O-CD2 2.94Å; A284-H288 PolarHBondContact O-N 3.45Å; Y285-H288 PolarHBondContact O-N 3.38Å; K286-H288 PolarHBondContact O-N 3.32Å |
| 289 | K | 92.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.2 | 174.6 | -66 | -74.2 | -64.3 | -159.7 | 0 | 113.2 | A147 H149 Y285 K286 E287 Q291 | A147-K289 HydrophobicContact CB-CD 4.29Å; A147-K289 HydrophobicContact CB-CG 4.4Å; H149-K289 PolarHBondContact CE1-NZ 3.47Å; H149-K289 VanDerWaalsContact CE1-NZ 3.32Å; H149-K289 PolarHBondContact NE2-NZ 2.96Å; Y285-K289 HydrophobicContact CD1-CG 4.39Å; Y285-K289 HydrophobicContact CE1-CG 4.14Å; Y285-K289 HydrophobicContact CE2-CG 4.46Å; Y285-K289 WeakPolarHBondContact O-CB 3.31Å; Y285-K289 WeakPolarHBondContact O-CG 3.19Å; Y285-K289 PolarHBondContact O-N 2.92Å; K286-K289 CarbonylContact O-C 3.54Å; K286-K289 PolarHBondContact O-N 2.98Å; K286-K289 VanDerWaalsContact O-N 3.13Å; E287-K289 PolarHBondContact O-N 3.49Å; K289-Q291 VanDerWaalsContact C-N 3.3Å; K289-Q291 HydrophobicContact CB-CG 3.98Å |
| 290 | G | 93.4 | Very high | 96.8 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 73% | 0.732 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 25.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K286 E287 | K286-G290 PolarHBondContact O-N 3.01Å; E287-G290 PolarHBondContact O-N 2.99Å |
| 291 | Q | 93.4 | Very high | 96.8 | Very high | 127 Ų | 127 | 58.1 Ų | 58.1 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -103.2 | 12.9 | -175.2 | -64.9 | 176.9 | -27.4 | 0 | 0 | 113.1 | K286 K289 | K286-Q291 HydrophobicContact CB-CB 4.13Å; K286-Q291 HydrophobicContact CG-CB 4.43Å; K286-Q291 PolarHBondContact O-N 3.5Å; K289-Q291 VanDerWaalsContact C-N 3.3Å; K289-Q291 HydrophobicContact CB-CG 3.98Å |
| 292 | G | 93.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | trans | 82.2 | -164.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K286 E287 | K286-G292 CarbonylContact C-O 3.04Å; K286-G292 WeakPolarHBondContact CB-O 3.32Å; E287-G292 WeakPolarHBondContact CA-O 3.19Å; E287-G292 PolarHBondContact N-O 3.31Å | ||
| 293 | S | 94.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -127.1 | 0.8 | -178.8 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | E287 | E287-S293 WeakPolarHBondContact OE1-CB 3.48Š|
| 294 | E | 96.9 | Very high | 96.8 | Very high | 161 Ų | 161 | 58.8 Ų | 58.8 | 75% | 0.752 | 32% | 0.323 | S | S | * | . | trans | -72.9 | 129.3 | -179.3 | -171.1 | 175.8 | -174.7 | 0 | 0 | 110.4 | K286 | K286-E294 VanDerWaalsContact CD-O 3.31Å; K286-E294 WeakPolarHBondContact CD-O 3.47Å; K286-E294 PolarHBondContact NZ-O 3.43Å | ||
| 295 | V | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | trans | -130.8 | 125.1 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | R279 L282 E283 K286 E299 V300 | R279-V295 PolarHBondContact NH1-O 3.25Å; L282-V295 HydrophobicContact CB-CB 4.48Å; L282-V295 HydrophobicContact CB-CG1 3.87Å; L282-V295 HydrophobicContact CB-CG2 3.71Å; L282-V295 HydrophobicContact CD1-CG1 3.84Å; E283-V295 HydrophobicContact CB-CG2 4.36Å; E283-V295 HydrophobicContact CG-CB 4.34Å; E283-V295 HydrophobicContact CG-CG2 3.73Å; K286-V295 HydrophobicContact CD-CG2 4.16Å; V295-E299 HydrophobicContact CG1-CB 4.23Å; V295-V300 HydrophobicContact CG1-CG2 3.64Å | ||
| 296 | T | 97.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | trans | -81.1 | 157.7 | 178 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | T298 E299 V300 | T296-T298 VanDerWaalsContact C-N 3.25Å; T296-T298 PolarHBondContact O-N 3.48Å; T296-E299 PolarHBondContact N-OE2 3.41Å; T296-E299 PolarHBondContact O-N 3.5Å; T296-E299 VanDerWaalsContact OG1-CG 3.3Å; T296-E299 WeakPolarHBondContact OG1-CG 3.5Å; T296-E299 PolarHBondContact OG1-N 2.86Å; T296-E299 PolarHBondContact OG1-OE2 2.86Å; T296-V300 PolarHBondContact O-N 3.45Å | ||
| 297 | E | 97.9 | Very high | 97 | Very high | 118 Ų | 118 | 56.4 Ų | 56.4 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.6 | -38.2 | 172.4 | -64.2 | -54.6 | 146.8 | 0 | 0 | 111.8 | R279 E299 V300 E301 | R279-E297 IonicContact CZ-OE1 3.63Å; R279-E297 IonicContact NE-OE1 3.03Å; R279-E297 IonicContact NH2-OE1 3.83Å; R279-E297 PolarHBondContact NH2-OE1 3.45Å; R279-E297 IonicContact NH2-OE2 3.67Å; R279-E297 PolarHBondContact NH2-OE2 3.05Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.94Å; E297-V300 PolarHBondContact O-N 2.97Å; E297-V300 VanDerWaalsContact O-N 3.12Å; E297-E301 WeakPolarHBondContact O-CG 3.39Å; E297-E301 PolarHBondContact O-N 3.47Å |
| 298 | T | 98.3 | Very high | 97 | Very high | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 177.3 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | T296 V300 E301 V302 P359 | T296-T298 VanDerWaalsContact C-N 3.25Å; T296-T298 PolarHBondContact O-N 3.48Å; T298-V300 VanDerWaalsContact C-N 3.35Å; T298-V300 PolarHBondContact O-N 2.88Å; T298-E301 PolarHBondContact O-N 3.36Å; T298-V302 HydrophobicContact CG2-CG2 4.44Å; T298-V302 WeakPolarHBondContact O-CB 3.47Å; T298-V302 VanDerWaalsContact O-CG2 3.24Å; T298-V302 WeakPolarHBondContact O-CG2 3.4Å; T298-V302 PolarHBondContact O-N 3.17Å; T298-P359 HydrophobicContact CG2-CB 4.36Å; T298-P359 HydrophobicContact CG2-CG 3.8Å |
| 299 | E | 98.3 | Very high | 97.2 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.9 | -72.3 | 174.8 | 108.8 | 0 | 0 | 112.4 | L282 K286 V295 T296 E297 L303 | L282-E299 HydrophobicContact CD1-CB 4.14Å; K286-E299 WeakPolarHBondContact CE-OE1 3.46Å; K286-E299 IonicContact NZ-OE1 2.72Å; K286-E299 PolarHBondContact NZ-OE1 3.35Å; K286-E299 IonicContact NZ-OE2 3.89Å; K286-E299 PolarHBondContact NZ-OE2 3.37Å; V295-E299 HydrophobicContact CG1-CB 4.23Å; T296-E299 PolarHBondContact N-OE2 3.41Å; T296-E299 PolarHBondContact O-N 3.5Å; T296-E299 VanDerWaalsContact OG1-CG 3.3Å; T296-E299 WeakPolarHBondContact OG1-CG 3.5Å; T296-E299 PolarHBondContact OG1-N 2.86Å; T296-E299 PolarHBondContact OG1-OE2 2.86Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.94Å; E299-L303 PolarHBondContact O-N 2.75Å; E299-L303 VanDerWaalsContact O-N 3.1Å |
| 300 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | L275 L278 R279 L282 V295 T296 E297 T298 L303 Y304 | L275-V300 HydrophobicContact CB-CG1 4.19Å; L275-V300 HydrophobicContact CD2-CG1 3.64Å; L278-V300 HydrophobicContact CB-CG1 4.03Å; R279-V300 HydrophobicContact CB-CG2 3.98Å; L282-V300 HydrophobicContact CD1-CG2 4.12Å; V295-V300 HydrophobicContact CG1-CG2 3.64Å; T296-V300 PolarHBondContact O-N 3.45Å; E297-V300 PolarHBondContact O-N 2.97Å; E297-V300 VanDerWaalsContact O-N 3.12Å; T298-V300 VanDerWaalsContact C-N 3.35Å; T298-V300 PolarHBondContact O-N 2.88Å; V300-L303 PolarHBondContact O-N 3.03Å; V300-Y304 WeakPolarHBondContact O-CB 3.46Å; V300-Y304 PolarHBondContact O-N 3.1Å |
| 301 | E | 98.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.3 | -69.2 | -66.5 | 170.9 | 0 | 0 | 112.3 | R271 E297 T298 L303 Y304 V305 P359 | R271-E301 IonicContact CZ-OE1 3.52Å; R271-E301 IonicContact CZ-OE2 2.59Å; R271-E301 IonicContact NH1-OE1 2.78Å; R271-E301 IonicContact NH2-OE1 3.39Å; R271-E301 PolarHBondContact NH2-OE1 3.21Å; R271-E301 IonicContact NH2-OE2 2.81Å; R271-E301 PolarHBondContact NH2-OE2 3.14Å; E297-E301 WeakPolarHBondContact O-CG 3.39Å; E297-E301 PolarHBondContact O-N 3.47Å; T298-E301 PolarHBondContact O-N 3.36Å; E301-L303 PolarHBondContact O-N 2.9Å; E301-Y304 WeakPolarHBondContact O-CB 3.31Å; E301-Y304 PolarHBondContact O-N 3.19Å; E301-V305 WeakPolarHBondContact O-CG2 3.07Å; E301-V305 PolarHBondContact O-N 3.33Å; E301-P359 HydrophobicContact CB-CB 4.37Å; E301-P359 HydrophobicContact CB-CG 3.95Å |
| 302 | V | 98.7 | Very high | 98 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 173.3 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | T298 Y304 V305 Q306 F358 P359 | T298-V302 HydrophobicContact CG2-CG2 4.44Å; T298-V302 WeakPolarHBondContact O-CB 3.47Å; T298-V302 VanDerWaalsContact O-CG2 3.24Å; T298-V302 WeakPolarHBondContact O-CG2 3.4Å; T298-V302 PolarHBondContact O-N 3.17Å; V302-Y304 VanDerWaalsContact C-N 3.32Å; V302-Y304 PolarHBondContact O-N 2.94Å; V302-V305 PolarHBondContact O-N 3.45Å; V302-Q306 WeakPolarHBondContact O-CG 3.48Å; V302-Q306 PolarHBondContact O-N 2.89Å; V302-Q306 VanDerWaalsContact O-N 3.12Å; V302-F358 HydrophobicContact CB-CD1 4.35Å; V302-F358 HydrophobicContact CG1-CD1 4.14Å; V302-F358 HydrophobicContact CG1-CE1 3.94Å; V302-F358 HydrophobicContact CG2-CD1 4.16Å; V302-P359 HydrophobicContact CG2-CG 3.71Å |
| 303 | L | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 179.2 | -174.3 | 61.3 | 0 | 0 | 0 | 111.5 | I250 L278 Y281 L282 E299 V300 E301 V305 Q306 V307 | I250-L303 HydrophobicContact CD1-CD1 4.37Å; I250-L303 HydrophobicContact CD1-CD2 4.27Å; L278-L303 HydrophobicContact CB-CD2 4.3Å; L278-L303 HydrophobicContact CD2-CD2 3.71Å; L278-L303 HydrophobicContact CD2-CG 3.91Å; L278-L303 HydrophobicContact CG-CD2 4.5Å; Y281-L303 HydrophobicContact CD1-CD2 3.93Å; Y281-L303 HydrophobicContact CE1-CD2 4.24Å; L282-L303 HydrophobicContact CD1-CB 4.45Å; L282-L303 HydrophobicContact CD1-CD2 4.06Å; L282-L303 HydrophobicContact CD2-CD2 3.93Å; L282-L303 HydrophobicContact CG-CD2 3.84Å; E299-L303 PolarHBondContact O-N 2.75Å; E299-L303 VanDerWaalsContact O-N 3.1Å; V300-L303 PolarHBondContact O-N 3.03Å; E301-L303 PolarHBondContact O-N 2.9Å; L303-V305 PolarHBondContact O-N 2.99Å; L303-Q306 PolarHBondContact O-N 3.42Å; L303-V307 HydrophobicContact CD1-CG2 3.88Å; L303-V307 HydrophobicContact CG-CG2 3.99Å; L303-V307 VanDerWaalsContact O-CB 3.32Å; L303-V307 WeakPolarHBondContact O-CB 3.33Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 2.93Å |
| 304 | Y | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 11% | 0.106 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 175.6 | 172.7 | -95.5 | 0 | 0 | 0 | 112.1 | R271 Q274 L275 L278 V300 E301 V302 N308 L356 | R271-Y304 HydrophobicContact CB-CE2 4.34Å; R271-Y304 HydrophobicContact CG-CE2 3.81Å; Q274-Y304 HydrophobicContact CB-CD2 4.17Å; Q274-Y304 HydrophobicContact CB-CE2 4.21Å; L275-Y304 HydrophobicContact CD2-CD2 4.1Å; L275-Y304 HydrophobicContact CD2-CG 4.14Å; L278-Y304 HydrophobicContact CD1-CD2 4.24Å; V300-Y304 WeakPolarHBondContact O-CB 3.46Å; V300-Y304 PolarHBondContact O-N 3.1Å; E301-Y304 WeakPolarHBondContact O-CB 3.31Å; E301-Y304 PolarHBondContact O-N 3.19Å; V302-Y304 VanDerWaalsContact C-N 3.32Å; V302-Y304 PolarHBondContact O-N 2.94Å; Y304-N308 VanDerWaalsContact CD2-ND2 3.28Å; Y304-N308 WeakPolarHBondContact CD2-ND2 3.09Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.41Å; Y304-N308 PolarHBondContact O-N 3.44Å; Y304-N308 PolarHBondContact O-ND2 3.38Å; Y304-L356 HydrophobicContact CE1-CD1 4.05Å; Y304-L356 HydrophobicContact CE1-CD2 3.97Å |
| 305 | V | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | E301 V302 L303 R309 L356 N357 F358 | E301-V305 WeakPolarHBondContact O-CG2 3.07Å; E301-V305 PolarHBondContact O-N 3.33Å; V302-V305 PolarHBondContact O-N 3.45Å; L303-V305 PolarHBondContact O-N 2.99Å; V305-R309 WeakPolarHBondContact O-CB 3.17Å; V305-R309 WeakPolarHBondContact O-CG 3.49Å; V305-R309 PolarHBondContact O-N 3.28Å; V305-R309 VanDerWaalsContact O-N 3.15Å; V305-L356 HydrophobicContact CG1-CB 4.18Å; V305-L356 HydrophobicContact CG2-CB 4.28Å; V305-N357 VanDerWaalsContact CG2-O 3.27Å; V305-N357 WeakPolarHBondContact CG2-O 3.35Å; V305-F358 HydrophobicContact CB-CD1 4.09Å; V305-F358 HydrophobicContact CB-CE1 4.02Å; V305-F358 HydrophobicContact CG1-CD1 4.1Å; V305-F358 HydrophobicContact CG1-CE1 3.94Å; V305-F358 HydrophobicContact CG1-CZ 4.22Å; V305-F358 HydrophobicContact CG2-CD1 4.46Å |
| 306 | Q | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -52 | 178.9 | -67.9 | 174.8 | -16.7 | 0 | 0 | 111.2 | L208 A247 V302 L303 R309 F310 F358 | L208-Q306 HydrophobicContact CB-CG 4.25Å; L208-Q306 PolarHBondContact O-NE2 2.69Å; A247-Q306 HydrophobicContact CB-CB 3.72Å; V302-Q306 WeakPolarHBondContact O-CG 3.48Å; V302-Q306 PolarHBondContact O-N 2.89Å; V302-Q306 VanDerWaalsContact O-N 3.12Å; L303-Q306 PolarHBondContact O-N 3.42Å; Q306-R309 PolarHBondContact O-N 3.23Å; Q306-F310 WeakPolarHBondContact O-CB 3.42Å; Q306-F310 WeakPolarHBondContact O-CD2 3.4Å; Q306-F310 PolarHBondContact O-N 3.48Å; Q306-F358 HydrophobicContact CG-CE1 3.93Å; Q306-F358 HydrophobicContact CG-CZ 4.09Å |
| 307 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | -176.5 | 166.4 | 0 | 0 | 0 | 0 | 111.6 | A247 I250 F254 L278 L303 R309 F310 S311 | A247-V307 HydrophobicContact CB-CG2 4.09Å; I250-V307 HydrophobicContact CB-CG1 4.29Å; I250-V307 HydrophobicContact CB-CG2 3.87Å; I250-V307 HydrophobicContact CD1-CG2 4.17Å; I250-V307 HydrophobicContact CG2-CB 4.48Å; I250-V307 HydrophobicContact CG2-CG1 3.77Å; I250-V307 HydrophobicContact CG2-CG2 3.8Å; F254-V307 HydrophobicContact CD2-CG1 3.68Å; F254-V307 HydrophobicContact CE2-CG1 3.7Å; L278-V307 HydrophobicContact CD2-CG2 3.99Å; L303-V307 HydrophobicContact CD1-CG2 3.88Å; L303-V307 HydrophobicContact CG-CG2 3.99Å; L303-V307 VanDerWaalsContact O-CB 3.32Å; L303-V307 WeakPolarHBondContact O-CB 3.33Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 2.93Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 2.68Å; V307-F310 PolarHBondContact O-N 3.18Å; V307-S311 PolarHBondContact O-N 3.15Å |
| 308 | N | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.032 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.4 | -28.3 | -179.2 | -76.5 | -79.2 | 0 | 0 | 0 | 113 | Y268 Q274 Y304 S311 V353 L356 | Y268-N308 PolarHBondContact OH-OD1 2.87Å; Q274-N308 PolarHBondContact OE1-ND2 3.01Å; Q274-N308 PolarHBondContact OE1-OD1 2.9Å; Y304-N308 VanDerWaalsContact CD2-ND2 3.28Å; Y304-N308 WeakPolarHBondContact CD2-ND2 3.09Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.41Å; Y304-N308 PolarHBondContact O-N 3.44Å; Y304-N308 PolarHBondContact O-ND2 3.38Å; N308-S311 PolarHBondContact O-OG 2.91Å; N308-V353 HydrophobicContact CB-CB 4.41Å; N308-V353 HydrophobicContact CB-CG1 4.13Å; N308-V353 WeakPolarHBondContact O-CB 3.43Å; N308-L356 HydrophobicContact CB-CD1 3.65Å |
| 309 | R | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 13.7 Ų | 13.7 | 18% | 0.177 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -75.3 | -37.9 | 172.4 | -73.4 | -175.8 | 172.8 | -155.3 | 2.8 | 111.9 | L205 L208 V305 Q306 V307 L312 V353 G354 L356 | L205-R309 HydrophobicContact CD2-CB 3.67Å; L205-R309 WeakPolarHBondContact CD2-O 2.87Å; L208-R309 HydrophobicContact CD1-CB 3.65Å; L208-R309 HydrophobicContact CD1-CG 4.36Å; V305-R309 WeakPolarHBondContact O-CB 3.17Å; V305-R309 WeakPolarHBondContact O-CG 3.49Å; V305-R309 PolarHBondContact O-N 3.28Å; V305-R309 VanDerWaalsContact O-N 3.15Å; Q306-R309 PolarHBondContact O-N 3.23Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 2.68Å; R309-L312 WeakPolarHBondContact O-CB 3.47Å; R309-L312 PolarHBondContact O-N 2.87Å; R309-V353 WeakPolarHBondContact CG-O 3.39Å; R309-V353 PolarHBondContact NE-O 3.11Å; R309-G354 PolarHBondContact NH2-O 3.36Å; R309-G354 VanDerWaalsContact NH2-O 3.07Å; R309-L356 PolarHBondContact NE-O 3.5Å; R309-L356 PolarHBondContact NH2-O 2.96Å |
| 310 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -75.2 | -20.2 | 177.3 | -90.8 | -80.7 | 0 | 0 | 0 | 113.8 | L160 W161 L205 L208 Y245 A247 Q306 V307 L312 A313 S314 | L160-F310 HydrophobicContact CD2-CE1 4.49Å; W161-F310 HydrophobicContact CZ2-CE1 4.27Å; L205-F310 HydrophobicContact CB-CD1 4.39Å; L205-F310 HydrophobicContact CB-CE1 3.89Å; L205-F310 HydrophobicContact CB-CE2 4.16Å; L205-F310 HydrophobicContact CB-CZ 3.78Å; L205-F310 HydrophobicContact CD1-CD1 4.19Å; L205-F310 HydrophobicContact CD1-CE1 4.43Å; L205-F310 WeakPolarHBondContact O-CZ 3.45Å; L208-F310 HydrophobicContact CB-CE2 4.31Å; L208-F310 HydrophobicContact CD1-CD2 4.02Å; L208-F310 HydrophobicContact CD1-CE2 3.91Å; Y245-F310 HydrophobicContact CD1-CE1 4.2Å; Y245-F310 AromaticContact CD1-CZ 3.71Å; Y245-F310 HydrophobicContact CD1-CZ 3.71Å; Y245-F310 HydrophobicContact CD2-CD1 4.39Å; Y245-F310 AromaticContact CD2-CE1 3.4Å; Y245-F310 HydrophobicContact CD2-CE1 3.4Å; Y245-F310 VanDerWaalsContact CD2-CE1 3.4Å; Y245-F310 AromaticContact CD2-CZ 3.79Å; Y245-F310 HydrophobicContact CD2-CZ 3.79Å; Y245-F310 HydrophobicContact CE1-CZ 4.17Å; Y245-F310 AromaticContact CE2-CE1 3.99Å; Y245-F310 HydrophobicContact CE2-CE1 3.99Å; Y245-F310 HydrophobicContact CE2-CZ 4.24Å; Y245-F310 HydrophobicContact CG-CD1 4.46Å; Y245-F310 AromaticContact CG-CE1 3.52Å; Y245-F310 HydrophobicContact CG-CE1 3.52Å; Y245-F310 HydrophobicContact CG-CE2 4.43Å; Y245-F310 AromaticContact CG-CZ 3.49Å; Y245-F310 HydrophobicContact CG-CZ 3.49Å; Y245-F310 VanDerWaalsContact CG-CZ 3.49Å; A247-F310 HydrophobicContact CB-CB 4.02Å; A247-F310 HydrophobicContact CB-CD2 3.55Å; A247-F310 HydrophobicContact CB-CE2 4.27Å; A247-F310 HydrophobicContact CB-CG 3.98Å; Q306-F310 WeakPolarHBondContact O-CB 3.42Å; Q306-F310 WeakPolarHBondContact O-CD2 3.4Å; Q306-F310 PolarHBondContact O-N 3.48Å; V307-F310 PolarHBondContact O-N 3.18Å; F310-L312 PolarHBondContact O-N 3.12Å; F310-A313 WeakPolarHBondContact O-CB 3.43Å; F310-A313 PolarHBondContact O-N 3.46Å; F310-S314 PolarHBondContact O-N 3.12Å |
| 311 | S | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60 | -28.8 | 172.5 | 73 | 0 | 0 | 0 | 0 | 112.2 | N255 V307 N308 A313 S314 H315 | N255-S311 PolarHBondContact ND2-O 3.03Å; V307-S311 PolarHBondContact O-N 3.15Å; N308-S311 PolarHBondContact O-OG 2.91Å; S311-A313 VanDerWaalsContact C-N 3.35Å; S311-A313 PolarHBondContact O-N 3.26Å; S311-S314 WeakPolarHBondContact O-CB 3.43Å; S311-S314 PolarHBondContact O-N 2.97Å; S311-H315 PolarHBondContact O-N 3.16Å; S311-H315 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 169.7 | -64 | -178 | 0 | 0 | 0 | 112.3 | W200 R309 F310 S314 H315 F316 Y346 M349 K350 V353 | W200-L312 HydrophobicContact CH2-CD1 4.12Å; W200-L312 HydrophobicContact CZ3-CD1 4.05Å; R309-L312 WeakPolarHBondContact O-CB 3.47Å; R309-L312 PolarHBondContact O-N 2.87Å; F310-L312 PolarHBondContact O-N 3.12Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 3.01Å; L312-H315 PolarHBondContact O-N 3.21Å; L312-F316 PolarHBondContact O-N 3.38Å; L312-Y346 HydrophobicContact CB-CD2 3.74Å; L312-Y346 HydrophobicContact CB-CE2 3.7Å; L312-Y346 HydrophobicContact CD1-CE2 4.38Å; L312-Y346 HydrophobicContact CD2-CD2 4.03Å; L312-Y346 HydrophobicContact CD2-CE2 4.41Å; L312-Y346 HydrophobicContact CG-CD2 4.39Å; L312-Y346 HydrophobicContact CG-CE2 4.4Å; L312-Y346 WeakPolarHBondContact O-CD2 3.49Å; L312-M349 HydrophobicContact CD2-CB 3.98Å; L312-K350 HydrophobicContact CD1-CB 4.21Å; L312-K350 HydrophobicContact CD1-CG 4.26Å; L312-K350 HydrophobicContact CD2-CB 4.3Å; L312-V353 HydrophobicContact CD1-CG2 3.45Å; L312-V353 VanDerWaalsContact CD1-CG2 3.45Å; L312-V353 HydrophobicContact CD2-CG2 3.85Å; L312-V353 HydrophobicContact CG-CG2 3.61Å |
| 313 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.3 | -35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | L160 W161 M164 M201 L205 Y248 F310 S311 F316 F317 | L160-A313 HydrophobicContact CD2-CB 4.29Å; W161-A313 HydrophobicContact CH2-CB 4.4Å; M164-A313 HydrophobicContact CE-CB 3.98Å; M164-A313 WeakPolarHBondContact CE-O 3.47Å; M201-A313 HydrophobicContact SD-CB 4.24Å; L205-A313 HydrophobicContact CD1-CB 3.87Å; Y248-A313 HydrophobicContact CD2-CB 3.96Å; Y248-A313 HydrophobicContact CE2-CB 4.11Å; F310-A313 WeakPolarHBondContact O-CB 3.43Å; F310-A313 PolarHBondContact O-N 3.46Å; S311-A313 VanDerWaalsContact C-N 3.35Å; S311-A313 PolarHBondContact O-N 3.26Å; A313-F316 PolarHBondContact O-N 3.31Å; A313-F317 VanDerWaalsContact O-CB 3.27Å; A313-F317 WeakPolarHBondContact O-CB 3.49Å; A313-F317 PolarHBondContact O-N 3.4Å |
| 314 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 172.8 | 160.5 | 0 | 0 | 0 | 0 | 111.7 | N252 N255 F310 S311 L312 F316 F317 W318 R342 | N252-S314 WeakPolarHBondContact OD1-CB 3.32Å; N252-S314 PolarHBondContact OD1-OG 2.53Å; N255-S314 WeakPolarHBondContact ND2-CB 3.32Å; N255-S314 PolarHBondContact ND2-OG 3.31Å; F310-S314 PolarHBondContact O-N 3.12Å; S311-S314 WeakPolarHBondContact O-CB 3.43Å; S311-S314 PolarHBondContact O-N 2.97Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 3.01Å; S314-F316 VanDerWaalsContact C-N 3.29Å; S314-F316 PolarHBondContact O-N 3.24Å; S314-F317 PolarHBondContact O-N 3.15Å; S314-W318 PolarHBondContact O-N 3.04Å; S314-W318 VanDerWaalsContact O-N 3.09Å; S314-R342 PolarHBondContact O-NH2 3.15Å; S314-R342 PolarHBondContact OG-NH2 3.3Å |
| 315 | H | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 175.1 | -75.2 | -50 | 0 | 0 | 0 | 112 | N255 Y265 S311 L312 G319 R342 Q345 | N255-H315 VanDerWaalsContact CG-CE1 3.48Å; N255-H315 PolarHBondContact OD1-CE1 3.48Å; N255-H315 PolarHBondContact OD1-NE2 3.23Å; Y265-H315 AromaticContact CE1-CE1 3.65Å; S311-H315 PolarHBondContact O-N 3.16Å; S311-H315 VanDerWaalsContact O-N 3.08Å; L312-H315 PolarHBondContact O-N 3.21Å; H315-G319 PolarHBondContact O-N 2.95Å; H315-R342 WeakPolarHBondContact O-CB 3.48Å; H315-Q345 WeakPolarHBondContact NE2-CG 3.36Å |
| 316 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | -179 | -154.6 | -80.4 | 0 | 0 | 0 | 112.6 | M164 L194 E197 M198 M201 L312 A313 S314 G319 L320 F343 Y346 | M164-F316 HydrophobicContact CE-CB 4.34Å; L194-F316 HydrophobicContact CB-CZ 3.92Å; L194-F316 HydrophobicContact CD2-CE2 3.77Å; L194-F316 HydrophobicContact CD2-CZ 3.58Å; L194-F316 HydrophobicContact CG-CZ 4.35Å; L194-F316 WeakPolarHBondContact O-CZ 3.36Å; E197-F316 HydrophobicContact CB-CE2 3.69Å; E197-F316 HydrophobicContact CB-CZ 4.21Å; M198-F316 HydrophobicContact CG-CD1 4.09Å; M198-F316 HydrophobicContact CG-CE1 3.29Å; M198-F316 HydrophobicContact CG-CZ 3.71Å; M198-F316 HydrophobicContact SD-CE1 3.9Å; M201-F316 HydrophobicContact CE-CB 3.59Å; M201-F316 HydrophobicContact CE-CD1 3.53Å; M201-F316 HydrophobicContact CE-CD2 3.69Å; M201-F316 HydrophobicContact CE-CE1 4.09Å; M201-F316 HydrophobicContact CE-CE2 4.23Å; M201-F316 HydrophobicContact CE-CG 3.3Å; M201-F316 HydrophobicContact CE-CZ 4.4Å; M201-F316 HydrophobicContact SD-CB 3.86Å; M201-F316 HydrophobicContact SD-CD2 4.35Å; M201-F316 HydrophobicContact SD-CG 4.12Å; L312-F316 PolarHBondContact O-N 3.38Å; A313-F316 PolarHBondContact O-N 3.31Å; S314-F316 VanDerWaalsContact C-N 3.29Å; S314-F316 PolarHBondContact O-N 3.24Å; F316-G319 PolarHBondContact O-N 3.49Å; F316-L320 HydrophobicContact CD1-CD1 3.87Å; F316-L320 HydrophobicContact CD1-CG 3.99Å; F316-L320 HydrophobicContact CE1-CD1 3.78Å; F316-L320 HydrophobicContact CE1-CD2 4.11Å; F316-L320 HydrophobicContact CE1-CG 3.9Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 3.45Å; F316-F343 HydrophobicContact CD1-CE1 4.21Å; F316-F343 HydrophobicContact CD2-CD1 4.09Å; F316-F343 AromaticContact CD2-CE1 3.88Å; F316-F343 HydrophobicContact CD2-CE1 3.88Å; F316-F343 HydrophobicContact CE1-CE1 4.21Å; F316-F343 HydrophobicContact CE2-CD1 4.19Å; F316-F343 AromaticContact CE2-CE1 3.88Å; F316-F343 HydrophobicContact CE2-CE1 3.88Å; F316-F343 HydrophobicContact CG-CE1 4.05Å; F316-F343 HydrophobicContact CZ-CE1 4.06Å; F316-Y346 HydrophobicContact CB-CD2 4.3Å; F316-Y346 HydrophobicContact CB-CE2 4.5Å; F316-Y346 HydrophobicContact CD2-CD1 4.28Å; F316-Y346 HydrophobicContact CD2-CD2 4.18Å; F316-Y346 HydrophobicContact CD2-CE1 4.23Å; F316-Y346 HydrophobicContact CD2-CE2 4.09Å; F316-Y346 HydrophobicContact CD2-CG 4.27Å |
| 317 | F | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 10.6 Ų | 10.6 | 6% | 0.061 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.3 | -53 | 178.5 | -176.2 | -89.3 | 0 | 0 | 0 | 111.1 | L160 T163 M164 Y167 Y248 A313 S314 G319 L320 W321 | L160-F317 HydrophobicContact CD1-CD2 3.98Å; L160-F317 HydrophobicContact CD1-CE2 4.49Å; T163-F317 HydrophobicContact CG2-CE2 3.68Å; T163-F317 HydrophobicContact CG2-CZ 4.09Å; M164-F317 HydrophobicContact CE-CB 3.7Å; M164-F317 HydrophobicContact CE-CD2 4.31Å; M164-F317 HydrophobicContact CG-CD2 3.89Å; Y167-F317 HydrophobicContact CD2-CE2 4.29Å; Y167-F317 HydrophobicContact CD2-CZ 4.29Å; Y167-F317 HydrophobicContact CE2-CD1 4.47Å; Y167-F317 AromaticContact CE2-CE1 3.79Å; Y167-F317 HydrophobicContact CE2-CE1 3.79Å; Y167-F317 AromaticContact CE2-CE2 3.84Å; Y167-F317 HydrophobicContact CE2-CE2 3.84Å; Y167-F317 AromaticContact CE2-CZ 3.43Å; Y167-F317 HydrophobicContact CE2-CZ 3.43Å; Y167-F317 VanDerWaalsContact CE2-CZ 3.43Å; Y167-F317 AromaticContact CZ-CZ 3.86Å; Y248-F317 WeakPolarHBondContact OH-CB 3.35Å; Y248-F317 WeakPolarHBondContact OH-CG 3.38Å; A313-F317 VanDerWaalsContact O-CB 3.27Å; A313-F317 WeakPolarHBondContact O-CB 3.49Å; A313-F317 PolarHBondContact O-N 3.4Å; S314-F317 PolarHBondContact O-N 3.15Å; F317-G319 VanDerWaalsContact C-N 3.33Å; F317-G319 PolarHBondContact O-N 3.33Å; F317-L320 PolarHBondContact O-N 2.87Å; F317-W321 PolarHBondContact O-N 3.22Å |
| 318 | W | 97.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72 | -27.1 | -178.5 | -69.7 | 111.2 | 0 | 0 | 0 | 112.8 | D218 Y240 N252 S314 W321 A322 | D218-W318 HydrophobicContact CB-CH2 4.18Å; D218-W318 HydrophobicContact CB-CZ2 3.9Å; D218-W318 VanDerWaalsContact OD1-CZ2 3.23Å; D218-W318 WeakPolarHBondContact OD1-CZ2 3.49Å; Y240-W318 AromaticContact CD2-CH2 3.95Å; Y240-W318 HydrophobicContact CD2-CH2 3.95Å; Y240-W318 HydrophobicContact CE1-CH2 4.38Å; Y240-W318 AromaticContact CE2-CH2 3.72Å; Y240-W318 HydrophobicContact CE2-CH2 3.72Å; Y240-W318 HydrophobicContact CE2-CZ3 4.3Å; Y240-W318 HydrophobicContact CG-CH2 4.4Å; Y240-W318 AromaticContact CZ-CH2 3.96Å; N252-W318 PolarHBondContact OD1-NE1 3.14Å; S314-W318 PolarHBondContact O-N 3.04Å; S314-W318 VanDerWaalsContact O-N 3.09Å; W318-W321 HydrophobicContact CE3-CB 4.07Å; W318-W321 AromaticContact CE3-CD2 3.76Å; W318-W321 HydrophobicContact CE3-CD2 3.76Å; W318-W321 AromaticContact CE3-CE3 3.9Å; W318-W321 HydrophobicContact CE3-CE3 3.9Å; W318-W321 AromaticContact CE3-CG 3.84Å; W318-W321 HydrophobicContact CE3-CG 3.84Å; W318-W321 AromaticContact CZ3-CD2 3.86Å; W318-W321 HydrophobicContact CZ3-CD2 3.86Å; W318-W321 AromaticContact CZ3-CE2 3.96Å; W318-W321 HydrophobicContact CZ3-CE3 4.32Å; W318-W321 AromaticContact CZ3-CG 3.97Å; W318-W321 HydrophobicContact CZ3-CG 3.97Å; W318-A322 WeakPolarHBondContact O-CB 3.39Å; W318-A322 PolarHBondContact O-N 3.43Å |
| 319 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H315 F316 F317 A322 L323 F343 | H315-G319 PolarHBondContact O-N 2.95Å; F316-G319 PolarHBondContact O-N 3.49Å; F317-G319 VanDerWaalsContact C-N 3.33Å; F317-G319 PolarHBondContact O-N 3.33Å; G319-A322 PolarHBondContact O-N 2.7Å; G319-L323 WeakPolarHBondContact O-CG 3.39Å; G319-L323 PolarHBondContact O-N 3.33Å; G319-L323 VanDerWaalsContact O-N 3.15Å; G319-F343 VanDerWaalsContact C-CZ 3.48Å |
| 320 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.1 | -68.6 | 176.3 | 0 | 0 | 0 | 111.7 | M164 Y167 F168 V171 M198 F316 F317 A322 L323 I324 F343 | M164-L320 HydrophobicContact CB-CD1 4.34Å; Y167-L320 HydrophobicContact CD2-CB 4.46Å; F168-L320 HydrophobicContact CB-CD1 4.31Å; F168-L320 HydrophobicContact CB-CD2 4.4Å; F168-L320 HydrophobicContact CD2-CD2 3.99Å; V171-L320 HydrophobicContact CG2-CD2 3.87Å; M198-L320 HydrophobicContact SD-CD1 4.29Å; F316-L320 HydrophobicContact CD1-CD1 3.87Å; F316-L320 HydrophobicContact CD1-CG 3.99Å; F316-L320 HydrophobicContact CE1-CD1 3.78Å; F316-L320 HydrophobicContact CE1-CD2 4.11Å; F316-L320 HydrophobicContact CE1-CG 3.9Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 3.45Å; F317-L320 PolarHBondContact O-N 2.87Å; L320-A322 VanDerWaalsContact C-N 3.28Å; L320-A322 PolarHBondContact O-N 2.91Å; L320-L323 PolarHBondContact O-N 2.93Å; L320-I324 WeakPolarHBondContact O-CD1 3.45Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 3.27Å; L320-F343 HydrophobicContact CD2-CZ 4.12Å; L320-F343 HydrophobicContact CG-CZ 4.31Å |
| 321 | W | 95 | Very high | 93.7 | Very high | 17 Ų | 17 | 21.1 Ų | 21.1 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.7 | -47.2 | 176.1 | 173.7 | 91.3 | 0 | 0 | 0 | 111 | F84 Y167 Y240 F317 W318 L323 I324 Q325 F335 | F84-W321 AromaticContact CD1-CD1 3.99Å; Y167-W321 HydrophobicContact CD2-CB 4.3Å; Y167-W321 HydrophobicContact CE2-CB 4.05Å; Y240-W321 PolarHBondContact OH-NE1 2.8Å; Y240-W321 VanDerWaalsContact OH-NE1 3.08Å; F317-W321 PolarHBondContact O-N 3.22Å; W318-W321 HydrophobicContact CE3-CB 4.07Å; W318-W321 AromaticContact CE3-CD2 3.76Å; W318-W321 HydrophobicContact CE3-CD2 3.76Å; W318-W321 AromaticContact CE3-CE3 3.9Å; W318-W321 HydrophobicContact CE3-CE3 3.9Å; W318-W321 AromaticContact CE3-CG 3.84Å; W318-W321 HydrophobicContact CE3-CG 3.84Å; W318-W321 AromaticContact CZ3-CD2 3.86Å; W318-W321 HydrophobicContact CZ3-CD2 3.86Å; W318-W321 AromaticContact CZ3-CE2 3.96Å; W318-W321 HydrophobicContact CZ3-CE3 4.32Å; W318-W321 AromaticContact CZ3-CG 3.97Å; W318-W321 HydrophobicContact CZ3-CG 3.97Å; W321-L323 PolarHBondContact O-N 3.02Å; W321-I324 PolarHBondContact O-N 3.06Å; W321-I324 VanDerWaalsContact O-N 3.14Å; W321-Q325 HydrophobicContact CD2-CG 3.82Å; W321-Q325 HydrophobicContact CE3-CG 4.09Å; W321-Q325 HydrophobicContact CG-CG 4.46Å; W321-Q325 HydrophobicContact CH2-CG 3.95Å; W321-Q325 HydrophobicContact CZ2-CG 3.66Å; W321-Q325 HydrophobicContact CZ3-CG 4.15Å; W321-Q325 WeakPolarHBondContact O-CG 3.1Å; W321-Q325 PolarHBondContact O-N 3.15Å; W321-F335 HydrophobicContact CH2-CD1 4.27Å; W321-F335 AromaticContact CH2-CE1 3.66Å; W321-F335 HydrophobicContact CH2-CE1 3.66Å; W321-F335 AromaticContact CZ3-CD1 4Å; W321-F335 HydrophobicContact CZ3-CD1 4Å; W321-F335 AromaticContact CZ3-CE1 3.85Å; W321-F335 HydrophobicContact CZ3-CE1 3.85Å |
| 322 | A | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W318 G319 L320 I324 Q325 A326 F335 Y338 A339 | W318-A322 WeakPolarHBondContact O-CB 3.39Å; W318-A322 PolarHBondContact O-N 3.43Å; G319-A322 PolarHBondContact O-N 2.7Å; L320-A322 VanDerWaalsContact C-N 3.28Å; L320-A322 PolarHBondContact O-N 2.91Å; A322-I324 VanDerWaalsContact C-N 3.26Å; A322-I324 PolarHBondContact O-N 2.84Å; A322-Q325 PolarHBondContact O-N 3.31Å; A322-A326 PolarHBondContact O-N 2.89Å; A322-F335 WeakPolarHBondContact CB-O 3.34Å; A322-F335 WeakPolarHBondContact O-CB 3.4Å; A322-Y338 HydrophobicContact CB-CD1 3.76Å; A322-A339 HydrophobicContact CB-CB 3.81Å |
| 323 | L | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 173.9 | -69.5 | -179.7 | 0 | 0 | 0 | 113.2 | V171 P172 L184 V188 G319 L320 W321 L336 A339 F343 | V171-L323 HydrophobicContact CG1-CB 4.11Å; V171-L323 HydrophobicContact CG1-CD1 3.75Å; V171-L323 HydrophobicContact CG2-CB 4.13Å; V171-L323 HydrophobicContact CG2-CD1 4.26Å; P172-L323 WeakPolarHBondContact CD-O 3.33Å; L184-L323 HydrophobicContact CD1-CD2 4.21Å; V188-L323 HydrophobicContact CG1-CD1 3.9Å; V188-L323 HydrophobicContact CG1-CD2 4.24Å; V188-L323 HydrophobicContact CG2-CD2 3.97Å; G319-L323 WeakPolarHBondContact O-CG 3.39Å; G319-L323 PolarHBondContact O-N 3.33Å; G319-L323 VanDerWaalsContact O-N 3.15Å; L320-L323 PolarHBondContact O-N 2.93Å; W321-L323 PolarHBondContact O-N 3.02Å; L323-L336 HydrophobicContact CD2-CD1 3.6Å; L323-A339 HydrophobicContact CD2-CB 3.53Å; L323-A339 HydrophobicContact CG-CB 3.75Å; L323-F343 HydrophobicContact CD1-CE2 3.8Å; L323-F343 HydrophobicContact CD1-CZ 4.31Å; L323-F343 HydrophobicContact CG-CE2 4.21Å |
| 324 | I | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.3 | -41.5 | 177.2 | -55.6 | 158.8 | 0 | 0 | 0 | 109.3 | F84 Y167 L170 V171 L320 W321 A322 A326 E327 F328 | F84-I324 HydrophobicContact CE1-CB 3.77Å; F84-I324 HydrophobicContact CE1-CD1 3.77Å; F84-I324 HydrophobicContact CE1-CG1 4.4Å; F84-I324 HydrophobicContact CE1-CG2 3.55Å; F84-I324 HydrophobicContact CZ-CB 3.79Å; F84-I324 HydrophobicContact CZ-CG2 3.34Å; Y167-I324 HydrophobicContact CD1-CD1 4.36Å; Y167-I324 HydrophobicContact CD2-CD1 4.4Å; Y167-I324 HydrophobicContact CG-CD1 3.92Å; Y167-I324 WeakPolarHBondContact O-CD1 3.46Å; L170-I324 HydrophobicContact CB-CD1 3.95Å; L170-I324 HydrophobicContact CB-CG1 4.11Å; L170-I324 HydrophobicContact CB-CG2 4.27Å; V171-I324 HydrophobicContact CG2-CD1 4.45Å; V171-I324 HydrophobicContact CG2-CG1 3.99Å; L320-I324 WeakPolarHBondContact O-CD1 3.45Å; L320-I324 WeakPolarHBondContact O-CG1 3.32Å; L320-I324 PolarHBondContact O-N 3.27Å; W321-I324 PolarHBondContact O-N 3.06Å; W321-I324 VanDerWaalsContact O-N 3.14Å; A322-I324 VanDerWaalsContact C-N 3.26Å; A322-I324 PolarHBondContact O-N 2.84Å; I324-A326 VanDerWaalsContact C-N 3.29Å; I324-A326 PolarHBondContact O-N 2.91Å; I324-E327 PolarHBondContact O-N 3.45Å; I324-E327 VanDerWaalsContact O-N 3.15Å; I324-F328 HydrophobicContact CG2-CD2 3.69Å; I324-F328 HydrophobicContact CG2-CE2 3.91Å; I324-F328 VanDerWaalsContact O-CD2 3.26Å; I324-F328 WeakPolarHBondContact O-CD2 3.16Å; I324-F328 PolarHBondContact O-N 3.21Å |
| 325 | Q | 91.2 | Very high | 92 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -35 | 175.5 | -69.5 | -67.3 | -13 | 0 | 0 | 112.7 | F84 W321 A322 E327 F328 S329 F335 | F84-Q325 HydrophobicContact CZ-CG 4.44Å; W321-Q325 HydrophobicContact CD2-CG 3.82Å; W321-Q325 HydrophobicContact CE3-CG 4.09Å; W321-Q325 HydrophobicContact CG-CG 4.46Å; W321-Q325 HydrophobicContact CH2-CG 3.95Å; W321-Q325 HydrophobicContact CZ2-CG 3.66Å; W321-Q325 HydrophobicContact CZ3-CG 4.15Å; W321-Q325 WeakPolarHBondContact O-CG 3.1Å; W321-Q325 PolarHBondContact O-N 3.15Å; A322-Q325 PolarHBondContact O-N 3.31Å; Q325-E327 PolarHBondContact O-N 3.44Å; Q325-E327 VanDerWaalsContact O-N 3.13Å; Q325-F328 PolarHBondContact O-N 3.18Å; Q325-S329 WeakPolarHBondContact O-CA 3.39Å; Q325-S329 WeakPolarHBondContact O-CB 3.46Å; Q325-S329 PolarHBondContact O-N 3.47Å; Q325-S329 VanDerWaalsContact OE1-CB 3.3Å; Q325-F335 HydrophobicContact CB-CB 4.2Å; Q325-F335 HydrophobicContact CB-CD1 3.31Å; Q325-F335 HydrophobicContact CB-CD2 4.11Å; Q325-F335 HydrophobicContact CB-CE1 3.6Å; Q325-F335 HydrophobicContact CB-CE2 4.35Å; Q325-F335 HydrophobicContact CB-CG 3.6Å; Q325-F335 HydrophobicContact CB-CZ 4.12Å; Q325-F335 HydrophobicContact CG-CD1 4.07Å; Q325-F335 HydrophobicContact CG-CE1 3.98Å |
| 326 | A | 92.9 | Very high | 91.9 | Very high | 22 Ų | 22 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.1 | -25.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F175 M180 A322 I324 F335 L336 | F175-A326 HydrophobicContact CE1-CB 4.08Å; F175-A326 HydrophobicContact CZ-CB 3.82Å; M180-A326 HydrophobicContact CE-CB 4.1Å; M180-A326 WeakPolarHBondContact CE-O 3.39Å; A322-A326 PolarHBondContact O-N 2.89Å; I324-A326 VanDerWaalsContact C-N 3.29Å; I324-A326 PolarHBondContact O-N 2.91Å; A326-F335 HydrophobicContact CB-CB 3.84Å; A326-L336 HydrophobicContact CB-CB 4.31Å |
| 327 | E | 90.3 | Very high | 91.8 | Very high | 84 Ų | 84 | 36.5 Ų | 36.5 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -89.7 | -37.7 | 176.2 | 179.8 | 66.7 | -170.1 | 0 | 0 | 112.8 | P172 F175 I324 Q325 | P172-E327 HydrophobicContact CB-CB 4.49Å; P172-E327 HydrophobicContact CG-CB 4.23Å; F175-E327 WeakPolarHBondContact CD1-OE2 3.22Å; F175-E327 HydrophobicContact CE1-CB 4Å; F175-E327 WeakPolarHBondContact CE1-OE2 3.28Å; I324-E327 PolarHBondContact O-N 3.45Å; I324-E327 VanDerWaalsContact O-N 3.15Å; Q325-E327 PolarHBondContact O-N 3.44Å; Q325-E327 VanDerWaalsContact O-N 3.13Å |
| 328 | F | 86.9 | Confident | 91.7 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 29% | 0.285 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -113.5 | -18.2 | -164.1 | -61.6 | -63.5 | 0 | 0 | 0 | 115.3 | K80 L83 I324 Q325 | K80-F328 HydrophobicContact CD-CB 4.16Å; K80-F328 HydrophobicContact CD-CD1 4.38Å; L83-F328 HydrophobicContact CD1-CD2 4.11Å; L83-F328 HydrophobicContact CD1-CG 4.29Å; I324-F328 HydrophobicContact CG2-CD2 3.69Å; I324-F328 HydrophobicContact CG2-CE2 3.91Å; I324-F328 VanDerWaalsContact O-CD2 3.26Å; I324-F328 WeakPolarHBondContact O-CD2 3.16Å; I324-F328 PolarHBondContact O-N 3.21Å; Q325-F328 PolarHBondContact O-N 3.18Å |
| 329 | S | 83.7 | Confident | 91.7 | Very high | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | trans | -70.3 | 148.7 | -177.8 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | Q325 I331 F335 | Q325-S329 WeakPolarHBondContact O-CA 3.39Å; Q325-S329 WeakPolarHBondContact O-CB 3.46Å; Q325-S329 PolarHBondContact O-N 3.47Å; Q325-S329 VanDerWaalsContact OE1-CB 3.3Å; S329-I331 WeakPolarHBondContact OG-CD1 3.49Å; S329-I331 PolarHBondContact OG-N 3.5Å; S329-F335 WeakPolarHBondContact OG-CE2 3.45Å; S329-F335 WeakPolarHBondContact OG-CZ 3.46Å | ||
| 330 | T | 81.4 | Confident | 91.7 | Very high | 115 Ų | 115 | 37 Ų | 37 | 71% | 0.706 | 20% | 0.199 | S | C | * | . | trans | -106.9 | 1.7 | 171.2 | 52 | 0 | 0 | 0 | 0 | 112 | ||||
| 331 | I | 80.9 | Confident | 91.6 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 33% | 0.328 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -80.2 | 135.7 | 179.7 | -64.7 | 134.5 | 0 | 0 | 0 | 109.2 | I55 S329 F333 F335 | I55-I331 HydrophobicContact CG2-CD1 3.68Å; I55-I331 HydrophobicContact CG2-CG1 4.4Å; I55-I331 HydrophobicContact CG2-CG2 4.25Å; I55-I331 WeakPolarHBondContact O-CD1 3.35Å; S329-I331 WeakPolarHBondContact OG-CD1 3.49Å; S329-I331 PolarHBondContact OG-N 3.5Å; I331-F333 VanDerWaalsContact C-N 3.34Å; I331-F333 HydrophobicContact CG2-CB 4.09Å; I331-F333 PolarHBondContact O-N 3.44Å; I331-F335 HydrophobicContact CB-CE2 4.22Å; I331-F335 HydrophobicContact CB-CZ 4.26Å |
| 332 | D | 85.3 | Confident | 91.8 | Very high | 172 Ų | 172 | 40.1 Ų | 40.1 | 92% | 0.92 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -73.8 | 85 | 173.9 | -171.8 | 17.4 | 0 | 0 | 0 | 110.5 | ||
| 333 | F | 87.8 | Confident | 92 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -151.8 | 138.5 | 179.8 | 179.7 | -93.6 | 0 | 0 | 0 | 109.9 | L260 I331 F335 Y338 | L260-F333 HydrophobicContact CD1-CZ 4.28Å; I331-F333 VanDerWaalsContact C-N 3.34Å; I331-F333 HydrophobicContact CG2-CB 4.09Å; I331-F333 PolarHBondContact O-N 3.44Å; F333-F335 HydrophobicContact CB-CD2 4.26Å; F333-F335 HydrophobicContact CB-CE2 3.85Å; F333-F335 HydrophobicContact CB-CZ 4.05Å; F333-F335 HydrophobicContact CD1-CB 4.37Å; F333-F335 AromaticContact CD1-CD1 3.54Å; F333-F335 HydrophobicContact CD1-CD1 3.54Å; F333-F335 AromaticContact CD1-CD2 4Å; F333-F335 HydrophobicContact CD1-CD2 4Å; F333-F335 AromaticContact CD1-CE1 3.66Å; F333-F335 HydrophobicContact CD1-CE1 3.66Å; F333-F335 HydrophobicContact CD1-CE2 4.09Å; F333-F335 AromaticContact CD1-CG 3.71Å; F333-F335 HydrophobicContact CD1-CG 3.71Å; F333-F335 AromaticContact CD1-CZ 3.93Å; F333-F335 HydrophobicContact CD1-CZ 3.93Å; F333-F335 AromaticContact CE1-CD1 3.96Å; F333-F335 HydrophobicContact CE1-CD1 3.96Å; F333-F335 HydrophobicContact CE1-CE1 4.24Å; F333-F335 HydrophobicContact CE1-CG 4.39Å; F333-F335 HydrophobicContact CG-CE1 4.46Å; F333-F335 HydrophobicContact CG-CE2 4.45Å; F333-F335 HydrophobicContact CG-CZ 4.35Å; F333-F335 VanDerWaalsContact O-CD2 3.23Å; F333-F335 WeakPolarHBondContact O-CD2 3.45Å; F333-F335 PolarHBondContact O-N 3.44Å; F333-Y338 HydrophobicContact CE1-CD1 4.37Å; F333-Y338 HydrophobicContact CE1-CD2 4.39Å; F333-Y338 AromaticContact CE1-CG 3.89Å; F333-Y338 HydrophobicContact CE1-CG 3.89Å; F333-Y338 AromaticContact CZ-CD2 3.98Å; F333-Y338 HydrophobicContact CZ-CD2 3.98Å; F333-Y338 AromaticContact CZ-CG 3.95Å; F333-Y338 HydrophobicContact CZ-CG 3.95Å |
| 334 | D | 91.9 | Very high | 92 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | trans | -75.9 | 74.6 | 177.2 | -174.4 | 15.2 | 0 | 0 | 0 | 111.4 | R183 L336 G337 Y338 | R183-D334 IonicContact CZ-OD1 3.57Å; R183-D334 IonicContact CZ-OD2 3.38Å; R183-D334 IonicContact NH1-OD1 3.8Å; R183-D334 PolarHBondContact NH1-OD1 2.91Å; R183-D334 VanDerWaalsContact NH1-OD1 3.14Å; R183-D334 IonicContact NH1-OD2 3.4Å; R183-D334 PolarHBondContact NH1-OD2 3.4Å; R183-D334 IonicContact NH2-OD1 3.14Å; R183-D334 IonicContact NH2-OD2 3.86Å; R183-D334 PolarHBondContact NH2-OD2 2.78Å; D334-L336 VanDerWaalsContact C-N 3.26Å; D334-L336 PolarHBondContact O-N 2.96Å; D334-L336 PolarHBondContact OD1-N 2.99Å; D334-G337 VanDerWaalsContact CG-N 3.35Å; D334-G337 PolarHBondContact O-N 3.38Å; D334-G337 PolarHBondContact OD1-N 3.38Å; D334-G337 VanDerWaalsContact OD2-CA 3.32Å; D334-G337 WeakPolarHBondContact OD2-CA 3.31Å; D334-G337 PolarHBondContact OD2-N 3.11Å; D334-Y338 WeakPolarHBondContact O-CB 3.01Å; D334-Y338 PolarHBondContact O-N 3.43Å | ||
| 335 | F | 93.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -34.8 | 178.3 | -71.9 | -74.3 | 0 | 0 | 0 | 112.7 | W321 A322 Q325 A326 S329 I331 F333 Y338 A339 | W321-F335 HydrophobicContact CH2-CD1 4.27Å; W321-F335 AromaticContact CH2-CE1 3.66Å; W321-F335 HydrophobicContact CH2-CE1 3.66Å; W321-F335 AromaticContact CZ3-CD1 4Å; W321-F335 HydrophobicContact CZ3-CD1 4Å; W321-F335 AromaticContact CZ3-CE1 3.85Å; W321-F335 HydrophobicContact CZ3-CE1 3.85Å; A322-F335 WeakPolarHBondContact CB-O 3.34Å; A322-F335 WeakPolarHBondContact O-CB 3.4Å; Q325-F335 HydrophobicContact CB-CB 4.2Å; Q325-F335 HydrophobicContact CB-CD1 3.31Å; Q325-F335 HydrophobicContact CB-CD2 4.11Å; Q325-F335 HydrophobicContact CB-CE1 3.6Å; Q325-F335 HydrophobicContact CB-CE2 4.35Å; Q325-F335 HydrophobicContact CB-CG 3.6Å; Q325-F335 HydrophobicContact CB-CZ 4.12Å; Q325-F335 HydrophobicContact CG-CD1 4.07Å; Q325-F335 HydrophobicContact CG-CE1 3.98Å; A326-F335 HydrophobicContact CB-CB 3.84Å; S329-F335 WeakPolarHBondContact OG-CE2 3.45Å; S329-F335 WeakPolarHBondContact OG-CZ 3.46Å; I331-F335 HydrophobicContact CB-CE2 4.22Å; I331-F335 HydrophobicContact CB-CZ 4.26Å; F333-F335 HydrophobicContact CB-CD2 4.26Å; F333-F335 HydrophobicContact CB-CE2 3.85Å; F333-F335 HydrophobicContact CB-CZ 4.05Å; F333-F335 HydrophobicContact CD1-CB 4.37Å; F333-F335 AromaticContact CD1-CD1 3.54Å; F333-F335 HydrophobicContact CD1-CD1 3.54Å; F333-F335 AromaticContact CD1-CD2 4Å; F333-F335 HydrophobicContact CD1-CD2 4Å; F333-F335 AromaticContact CD1-CE1 3.66Å; F333-F335 HydrophobicContact CD1-CE1 3.66Å; F333-F335 HydrophobicContact CD1-CE2 4.09Å; F333-F335 AromaticContact CD1-CG 3.71Å; F333-F335 HydrophobicContact CD1-CG 3.71Å; F333-F335 AromaticContact CD1-CZ 3.93Å; F333-F335 HydrophobicContact CD1-CZ 3.93Å; F333-F335 AromaticContact CE1-CD1 3.96Å; F333-F335 HydrophobicContact CE1-CD1 3.96Å; F333-F335 HydrophobicContact CE1-CE1 4.24Å; F333-F335 HydrophobicContact CE1-CG 4.39Å; F333-F335 HydrophobicContact CG-CE1 4.46Å; F333-F335 HydrophobicContact CG-CE2 4.45Å; F333-F335 HydrophobicContact CG-CZ 4.35Å; F333-F335 VanDerWaalsContact O-CD2 3.23Å; F333-F335 WeakPolarHBondContact O-CD2 3.45Å; F333-F335 PolarHBondContact O-N 3.44Å; F335-Y338 PolarHBondContact O-N 3.39Å; F335-A339 WeakPolarHBondContact O-CB 3.49Å; F335-A339 PolarHBondContact O-N 3.3Å |
| 336 | L | 95.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.2 | -46.1 | 178.2 | -178.2 | 57.5 | 0 | 0 | 0 | 110.9 | F175 M180 R183 V188 L323 A326 D334 Y338 A339 V340 | F175-L336 HydrophobicContact CE2-CD1 4.31Å; F175-L336 HydrophobicContact CE2-CD2 4.34Å; M180-L336 HydrophobicContact CB-CD2 4.23Å; M180-L336 WeakPolarHBondContact O-CD2 3.17Å; R183-L336 HydrophobicContact CB-CD2 3.58Å; R183-L336 HydrophobicContact CB-CG 4.43Å; V188-L336 HydrophobicContact CG2-CD1 3.77Å; L323-L336 HydrophobicContact CD2-CD1 3.6Å; A326-L336 HydrophobicContact CB-CB 4.31Å; D334-L336 VanDerWaalsContact C-N 3.26Å; D334-L336 PolarHBondContact O-N 2.96Å; D334-L336 PolarHBondContact OD1-N 2.99Å; L336-Y338 VanDerWaalsContact C-N 3.3Å; L336-Y338 PolarHBondContact O-N 2.64Å; L336-A339 WeakPolarHBondContact O-CB 3.39Å; L336-A339 PolarHBondContact O-N 3.4Å; L336-V340 WeakPolarHBondContact O-CG2 3.22Å; L336-V340 PolarHBondContact O-N 2.9Å |
| 337 | G | 95.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D334 A339 V340 L341 | D334-G337 VanDerWaalsContact CG-N 3.35Å; D334-G337 PolarHBondContact O-N 3.38Å; D334-G337 PolarHBondContact OD1-N 3.38Å; D334-G337 VanDerWaalsContact OD2-CA 3.32Å; D334-G337 WeakPolarHBondContact OD2-CA 3.31Å; D334-G337 PolarHBondContact OD2-N 3.11Å; G337-A339 PolarHBondContact O-N 3.37Å; G337-V340 WeakPolarHBondContact O-CB 3.26Å; G337-V340 PolarHBondContact O-N 3.46Å; G337-L341 WeakPolarHBondContact O-CG 3.44Å; G337-L341 PolarHBondContact O-N 3.47Å |
| 338 | Y | 95.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 174.4 | -172.5 | -107.9 | 0 | 0 | 0 | 112.3 | L260 V263 A322 F333 D334 F335 L336 V340 L341 R342 | L260-Y338 HydrophobicContact CD1-CD2 4.23Å; L260-Y338 HydrophobicContact CD1-CE1 4.37Å; L260-Y338 HydrophobicContact CD1-CE2 3.47Å; L260-Y338 VanDerWaalsContact CD1-CE2 3.47Å; V263-Y338 HydrophobicContact CG2-CD2 4.42Å; V263-Y338 HydrophobicContact CG2-CE2 4.2Å; A322-Y338 HydrophobicContact CB-CD1 3.76Å; F333-Y338 HydrophobicContact CE1-CD1 4.37Å; F333-Y338 HydrophobicContact CE1-CD2 4.39Å; F333-Y338 AromaticContact CE1-CG 3.89Å; F333-Y338 HydrophobicContact CE1-CG 3.89Å; F333-Y338 AromaticContact CZ-CD2 3.98Å; F333-Y338 HydrophobicContact CZ-CD2 3.98Å; F333-Y338 AromaticContact CZ-CG 3.95Å; F333-Y338 HydrophobicContact CZ-CG 3.95Å; D334-Y338 WeakPolarHBondContact O-CB 3.01Å; D334-Y338 PolarHBondContact O-N 3.43Å; F335-Y338 PolarHBondContact O-N 3.39Å; L336-Y338 VanDerWaalsContact C-N 3.3Å; L336-Y338 PolarHBondContact O-N 2.64Å; Y338-V340 VanDerWaalsContact C-N 3.33Å; Y338-V340 PolarHBondContact O-N 3.24Å; Y338-L341 PolarHBondContact O-N 3.21Å; Y338-R342 HydrophobicContact CD1-CG 4.16Å; Y338-R342 HydrophobicContact CE1-CG 3.81Å; Y338-R342 HydrophobicContact CE2-CG 4.38Å; Y338-R342 WeakPolarHBondContact O-CG 3.4Å; Y338-R342 PolarHBondContact O-N 3.49Å; Y338-R342 PolarHBondContact OH-NH1 2.9Å |
| 339 | A | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A322 L323 F335 L336 G337 L341 R342 F343 | A322-A339 HydrophobicContact CB-CB 3.81Å; L323-A339 HydrophobicContact CD2-CB 3.53Å; L323-A339 HydrophobicContact CG-CB 3.75Å; F335-A339 WeakPolarHBondContact O-CB 3.49Å; F335-A339 PolarHBondContact O-N 3.3Å; L336-A339 WeakPolarHBondContact O-CB 3.39Å; L336-A339 PolarHBondContact O-N 3.4Å; G337-A339 PolarHBondContact O-N 3.37Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 3.33Å; A339-R342 PolarHBondContact O-N 3.32Å; A339-F343 HydrophobicContact CB-CE2 4.36Å; A339-F343 WeakPolarHBondContact O-CD2 3.23Å; A339-F343 PolarHBondContact O-N 2.76Å |
| 340 | V | 97.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | E187 V188 L336 G337 Y338 R342 F343 S344 | E187-V340 HydrophobicContact CB-CG1 4.09Å; E187-V340 HydrophobicContact CB-CG2 3.6Å; V188-V340 HydrophobicContact CG2-CG2 3.8Å; L336-V340 WeakPolarHBondContact O-CG2 3.22Å; L336-V340 PolarHBondContact O-N 2.9Å; G337-V340 WeakPolarHBondContact O-CB 3.26Å; G337-V340 PolarHBondContact O-N 3.46Å; Y338-V340 VanDerWaalsContact C-N 3.33Å; Y338-V340 PolarHBondContact O-N 3.24Å; V340-R342 PolarHBondContact O-N 3.13Å; V340-F343 PolarHBondContact O-N 2.8Å; V340-S344 VanDerWaalsContact O-CB 3.24Å; V340-S344 WeakPolarHBondContact O-CB 3.41Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 2.84Å |
| 341 | L | 97 | Very high | 95.2 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 177 | -72 | 172.7 | 0 | 0 | 0 | 111.8 | V263 G337 Y338 A339 S344 Q345 | V263-L341 HydrophobicContact CB-CD1 4.34Å; V263-L341 HydrophobicContact CG2-CD1 4.28Å; G337-L341 WeakPolarHBondContact O-CG 3.44Å; G337-L341 PolarHBondContact O-N 3.47Å; Y338-L341 PolarHBondContact O-N 3.21Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 3.33Å; L341-S344 PolarHBondContact O-N 3.19Å; L341-Q345 WeakPolarHBondContact O-CB 3.44Å; L341-Q345 PolarHBondContact O-N 3.13Å |
| 342 | R | 98.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | -180 | -63.1 | -67.6 | -72.3 | -141.9 | 13.4 | 111.5 | E256 S314 H315 Y338 A339 V340 Q345 Y346 | E256-R342 IonicContact OE1-NH1 3.19Å; E256-R342 PolarHBondContact OE1-NH1 2.77Å; S314-R342 PolarHBondContact O-NH2 3.15Å; S314-R342 PolarHBondContact OG-NH2 3.3Å; H315-R342 WeakPolarHBondContact O-CB 3.48Å; Y338-R342 HydrophobicContact CD1-CG 4.16Å; Y338-R342 HydrophobicContact CE1-CG 3.81Å; Y338-R342 HydrophobicContact CE2-CG 4.38Å; Y338-R342 WeakPolarHBondContact O-CG 3.4Å; Y338-R342 PolarHBondContact O-N 3.49Å; Y338-R342 PolarHBondContact OH-NH1 2.9Å; A339-R342 PolarHBondContact O-N 3.32Å; V340-R342 PolarHBondContact O-N 3.13Å; R342-Q345 PolarHBondContact O-N 3.28Å; R342-Y346 PolarHBondContact O-N 3.21Å |
| 343 | F | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 176.7 | -70.8 | -55.4 | 0 | 0 | 0 | 112.7 | V188 P189 L194 F316 G319 L320 L323 A339 V340 Q345 Y346 F347 | V188-F343 HydrophobicContact CG1-CD2 4.3Å; V188-F343 HydrophobicContact CG1-CE2 4.28Å; P189-F343 HydrophobicContact CG-CB 4.03Å; P189-F343 HydrophobicContact CG-CG 4.26Å; L194-F343 HydrophobicContact CD1-CZ 4.39Å; L194-F343 HydrophobicContact CD2-CD1 3.84Å; L194-F343 HydrophobicContact CD2-CE1 3.53Å; L194-F343 HydrophobicContact CD2-CE2 4.42Å; L194-F343 HydrophobicContact CD2-CG 4.43Å; L194-F343 HydrophobicContact CD2-CZ 3.85Å; F316-F343 HydrophobicContact CD1-CE1 4.21Å; F316-F343 HydrophobicContact CD2-CD1 4.09Å; F316-F343 AromaticContact CD2-CE1 3.88Å; F316-F343 HydrophobicContact CD2-CE1 3.88Å; F316-F343 HydrophobicContact CE1-CE1 4.21Å; F316-F343 HydrophobicContact CE2-CD1 4.19Å; F316-F343 AromaticContact CE2-CE1 3.88Å; F316-F343 HydrophobicContact CE2-CE1 3.88Å; F316-F343 HydrophobicContact CG-CE1 4.05Å; F316-F343 HydrophobicContact CZ-CE1 4.06Å; G319-F343 VanDerWaalsContact C-CZ 3.48Å; L320-F343 HydrophobicContact CD2-CZ 4.12Å; L320-F343 HydrophobicContact CG-CZ 4.31Å; L323-F343 HydrophobicContact CD1-CE2 3.8Å; L323-F343 HydrophobicContact CD1-CZ 4.31Å; L323-F343 HydrophobicContact CG-CE2 4.21Å; A339-F343 HydrophobicContact CB-CE2 4.36Å; A339-F343 WeakPolarHBondContact O-CD2 3.23Å; A339-F343 PolarHBondContact O-N 2.76Å; V340-F343 PolarHBondContact O-N 2.8Å; F343-Q345 VanDerWaalsContact C-N 3.34Å; F343-Q345 PolarHBondContact O-N 3.44Å; F343-Y346 WeakPolarHBondContact O-CB 3.49Å; F343-Y346 PolarHBondContact O-N 3.27Å; F343-F347 WeakPolarHBondContact O-CD2 3.47Å; F343-F347 PolarHBondContact O-N 3.26Å |
| 344 | S | 97.7 | Very high | 96.6 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 177 | -62.1 | 0 | 0 | 0 | 0 | 111 | V340 L341 F347 K348 | V340-S344 VanDerWaalsContact O-CB 3.24Å; V340-S344 WeakPolarHBondContact O-CB 3.41Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 2.84Å; L341-S344 PolarHBondContact O-N 3.19Å; S344-F347 PolarHBondContact O-N 3.28Å; S344-K348 WeakPolarHBondContact O-CB 3.47Å; S344-K348 PolarHBondContact O-N 3.14Å |
| 345 | Q | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -40 | 176.5 | -171.8 | 64.9 | 5.5 | 0 | 0 | 112.1 | Y265 H315 L341 R342 F343 F347 K348 M349 | Y265-Q345 HydrophobicContact CD1-CG 3.78Å; Y265-Q345 HydrophobicContact CD2-CB 4.12Å; Y265-Q345 HydrophobicContact CD2-CG 3.95Å; Y265-Q345 HydrophobicContact CE1-CB 4.13Å; Y265-Q345 HydrophobicContact CE1-CG 3.67Å; Y265-Q345 HydrophobicContact CE2-CB 3.59Å; Y265-Q345 HydrophobicContact CE2-CG 3.82Å; Y265-Q345 VanDerWaalsContact CG-CD 3.5Å; Y265-Q345 HydrophobicContact CG-CG 3.92Å; H315-Q345 WeakPolarHBondContact NE2-CG 3.36Å; L341-Q345 WeakPolarHBondContact O-CB 3.44Å; L341-Q345 PolarHBondContact O-N 3.13Å; R342-Q345 PolarHBondContact O-N 3.28Å; F343-Q345 VanDerWaalsContact C-N 3.34Å; F343-Q345 PolarHBondContact O-N 3.44Å; Q345-F347 PolarHBondContact O-N 3.15Å; Q345-K348 PolarHBondContact O-N 3.39Å; Q345-M349 HydrophobicContact CG-CG 4.19Å; Q345-M349 VanDerWaalsContact NE2-CG 3.3Å; Q345-M349 PolarHBondContact NE2-SD 2.83Å; Q345-M349 WeakPolarHBondContact O-CB 3.17Å; Q345-M349 WeakPolarHBondContact O-CG 3.27Å; Q345-M349 PolarHBondContact O-N 3.01Å |
| 346 | Y | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.8 | -53.1 | 171.5 | 169.1 | -91.4 | 0 | 0 | 0 | 111.9 | E197 M201 L312 F316 R342 F343 K348 M349 K350 | E197-Y346 HydrophobicContact CB-CE1 4.25Å; E197-Y346 HydrophobicContact CG-CE1 4.04Å; E197-Y346 WeakPolarHBondContact OE2-CE1 3.5Å; E197-Y346 PolarHBondContact OE2-OH 3Å; M201-Y346 HydrophobicContact CG-CE2 4.06Å; M201-Y346 WeakPolarHBondContact CG-OH 3.38Å; M201-Y346 HydrophobicContact SD-CD2 4.48Å; M201-Y346 HydrophobicContact SD-CE2 3.57Å; M201-Y346 VanDerWaalsContact SD-CE2 3.57Å; L312-Y346 HydrophobicContact CB-CD2 3.74Å; L312-Y346 HydrophobicContact CB-CE2 3.7Å; L312-Y346 HydrophobicContact CD1-CE2 4.38Å; L312-Y346 HydrophobicContact CD2-CD2 4.03Å; L312-Y346 HydrophobicContact CD2-CE2 4.41Å; L312-Y346 HydrophobicContact CG-CD2 4.39Å; L312-Y346 HydrophobicContact CG-CE2 4.4Å; L312-Y346 WeakPolarHBondContact O-CD2 3.49Å; F316-Y346 HydrophobicContact CB-CD2 4.3Å; F316-Y346 HydrophobicContact CB-CE2 4.5Å; F316-Y346 HydrophobicContact CD2-CD1 4.28Å; F316-Y346 HydrophobicContact CD2-CD2 4.18Å; F316-Y346 HydrophobicContact CD2-CE1 4.23Å; F316-Y346 HydrophobicContact CD2-CE2 4.09Å; F316-Y346 HydrophobicContact CD2-CG 4.27Å; R342-Y346 PolarHBondContact O-N 3.21Å; F343-Y346 WeakPolarHBondContact O-CB 3.49Å; F343-Y346 PolarHBondContact O-N 3.27Å; Y346-K348 VanDerWaalsContact C-N 3.35Å; Y346-K348 PolarHBondContact O-N 2.97Å; Y346-M349 PolarHBondContact O-N 3.38Å; Y346-K350 HydrophobicContact CE1-CD 4.19Å; Y346-K350 VanDerWaalsContact O-CB 3.3Å; Y346-K350 WeakPolarHBondContact O-CB 3.42Å; Y346-K350 PolarHBondContact O-N 3.31Å |
| 347 | F | 98.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -32.2 | -177.5 | -77.2 | -67.8 | 0 | 0 | 0 | 113.1 | P189 R193 E197 F343 S344 Q345 P351 | P189-F347 HydrophobicContact CB-CE2 4.09Å; P189-F347 HydrophobicContact CG-CD2 4.29Å; P189-F347 HydrophobicContact CG-CE2 3.55Å; P189-F347 HydrophobicContact CG-CZ 4.41Å; R193-F347 HydrophobicContact CG-CZ 4.08Å; R193-F347 VanDerWaalsContact NH2-CD1 3.31Å; R193-F347 VanDerWaalsContact NH2-CE1 3.33Å; E197-F347 HydrophobicContact CG-CE1 3.74Å; E197-F347 HydrophobicContact CG-CZ 3.71Å; F343-F347 WeakPolarHBondContact O-CD2 3.47Å; F343-F347 PolarHBondContact O-N 3.26Å; S344-F347 PolarHBondContact O-N 3.28Å; Q345-F347 PolarHBondContact O-N 3.15Å; F347-P351 WeakPolarHBondContact O-CD 3.4Å |
| 348 | K | 97.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 174.1 | -179 | -174.5 | 172.5 | -172.1 | 0 | 111.3 | S344 Q345 Y346 P351 | S344-K348 WeakPolarHBondContact O-CB 3.47Å; S344-K348 PolarHBondContact O-N 3.14Å; Q345-K348 PolarHBondContact O-N 3.39Å; Y346-K348 VanDerWaalsContact C-N 3.35Å; Y346-K348 PolarHBondContact O-N 2.97Å; K348-P351 WeakPolarHBondContact O-CD 3.47Å |
| 349 | M | 97.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -80.9 | -25.3 | -174.1 | -63.5 | -51.7 | -58.9 | 0 | 0 | 113.5 | L312 Q345 Y346 E352 V353 | L312-M349 HydrophobicContact CD2-CB 3.98Å; Q345-M349 HydrophobicContact CG-CG 4.19Å; Q345-M349 VanDerWaalsContact NE2-CG 3.3Å; Q345-M349 PolarHBondContact NE2-SD 2.83Å; Q345-M349 WeakPolarHBondContact O-CB 3.17Å; Q345-M349 WeakPolarHBondContact O-CG 3.27Å; Q345-M349 PolarHBondContact O-N 3.01Å; Y346-M349 PolarHBondContact O-N 3.38Å; M349-E352 HydrophobicContact CE-CB 4.48Å; M349-E352 VanDerWaalsContact CE-OE2 3.28Å; M349-E352 WeakPolarHBondContact CE-OE2 3.43Å; M349-E352 PolarHBondContact O-N 2.87Å; M349-V353 HydrophobicContact CB-CG1 4.47Å; M349-V353 HydrophobicContact CE-CG1 4.33Å; M349-V353 WeakPolarHBondContact O-CG2 3.37Å; M349-V353 PolarHBondContact O-N 2.83Å |
| 350 | K | 98.2 | Very high | 95.6 | Very high | 38 Ų | 38 | 62 Ų | 62 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -49.9 | -45.9 | -174.9 | 178.4 | -179.6 | 177.5 | -179.5 | 0 | 114.2 | E197 W200 L312 Y346 G354 | E197-K350 IonicContact OE1-NZ 3.84Å; E197-K350 PolarHBondContact OE1-NZ 2.96Å; E197-K350 IonicContact OE2-NZ 2.71Å; E197-K350 PolarHBondContact OE2-NZ 3.11Å; W200-K350 HydrophobicContact CE3-CD 4.45Å; W200-K350 HydrophobicContact CH2-CD 4.31Å; W200-K350 HydrophobicContact CH2-CG 4.05Å; W200-K350 HydrophobicContact CZ3-CD 4.17Å; W200-K350 HydrophobicContact CZ3-CG 4.27Å; L312-K350 HydrophobicContact CD1-CB 4.21Å; L312-K350 HydrophobicContact CD1-CG 4.26Å; L312-K350 HydrophobicContact CD2-CB 4.3Å; Y346-K350 HydrophobicContact CE1-CD 4.19Å; Y346-K350 VanDerWaalsContact O-CB 3.3Å; Y346-K350 WeakPolarHBondContact O-CB 3.42Å; Y346-K350 PolarHBondContact O-N 3.31Å; K350-G354 WeakPolarHBondContact O-CA 3.41Å; K350-G354 PolarHBondContact O-N 2.94Å |
| 351 | P | 97.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 64.1 Ų | 64.1 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 177.1 | -21.3 | 34.1 | 0 | 0 | 0 | 113 | F347 K348 A355 | F347-P351 WeakPolarHBondContact O-CD 3.4Å; K348-P351 WeakPolarHBondContact O-CD 3.47Å; P351-A355 WeakPolarHBondContact O-CB 3.43Å; P351-A355 PolarHBondContact O-N 3Å; P351-A355 VanDerWaalsContact O-N 3.16Å |
| 352 | E | 95.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -52.1 | -177.4 | -63.3 | 178.5 | -161 | 0 | 0 | 111.2 | M349 G354 A355 | M349-E352 HydrophobicContact CE-CB 4.48Å; M349-E352 VanDerWaalsContact CE-OE2 3.28Å; M349-E352 WeakPolarHBondContact CE-OE2 3.43Å; M349-E352 PolarHBondContact O-N 2.87Å; E352-G354 VanDerWaalsContact C-N 3.33Å; E352-G354 PolarHBondContact O-N 3.14Å; E352-A355 PolarHBondContact O-N 3.37Å |
| 353 | V | 94.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.3 | -26.5 | -179 | -52 | 0 | 0 | 0 | 0 | 112.3 | N308 R309 L312 M349 A355 L356 | N308-V353 HydrophobicContact CB-CB 4.41Å; N308-V353 HydrophobicContact CB-CG1 4.13Å; N308-V353 WeakPolarHBondContact O-CB 3.43Å; R309-V353 WeakPolarHBondContact CG-O 3.39Å; R309-V353 PolarHBondContact NE-O 3.11Å; L312-V353 HydrophobicContact CD1-CG2 3.45Å; L312-V353 VanDerWaalsContact CD1-CG2 3.45Å; L312-V353 HydrophobicContact CD2-CG2 3.85Å; L312-V353 HydrophobicContact CG-CG2 3.61Å; M349-V353 HydrophobicContact CB-CG1 4.47Å; M349-V353 HydrophobicContact CE-CG1 4.33Å; M349-V353 WeakPolarHBondContact O-CG2 3.37Å; M349-V353 PolarHBondContact O-N 2.83Å; V353-A355 VanDerWaalsContact C-N 3.25Å; V353-A355 PolarHBondContact O-N 2.76Å; V353-L356 HydrophobicContact CB-CD1 4.25Å; V353-L356 WeakPolarHBondContact O-CB 3.28Å; V353-L356 PolarHBondContact O-N 2.81Å |
| 354 | G | 92.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -25.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R309 K350 E352 | R309-G354 PolarHBondContact NH2-O 3.36Å; R309-G354 VanDerWaalsContact NH2-O 3.07Å; K350-G354 WeakPolarHBondContact O-CA 3.41Å; K350-G354 PolarHBondContact O-N 2.94Å; E352-G354 VanDerWaalsContact C-N 3.33Å; E352-G354 PolarHBondContact O-N 3.14Å |
| 355 | A | 95.4 | Very high | 95 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P351 E352 V353 N357 | P351-A355 WeakPolarHBondContact O-CB 3.43Å; P351-A355 PolarHBondContact O-N 3Å; P351-A355 VanDerWaalsContact O-N 3.16Å; E352-A355 PolarHBondContact O-N 3.37Å; V353-A355 VanDerWaalsContact C-N 3.25Å; V353-A355 PolarHBondContact O-N 2.76Å; A355-N357 PolarHBondContact O-N 2.93Å; A355-N357 PolarHBondContact O-ND2 3.37Å |
| 356 | L | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | trans | -65.1 | 127.2 | 176.6 | -65.3 | 175.9 | 0 | 0 | 0 | 110.4 | Y304 V305 N308 R309 V353 | Y304-L356 HydrophobicContact CE1-CD1 4.05Å; Y304-L356 HydrophobicContact CE1-CD2 3.97Å; V305-L356 HydrophobicContact CG1-CB 4.18Å; V305-L356 HydrophobicContact CG2-CB 4.28Å; N308-L356 HydrophobicContact CB-CD1 3.65Å; R309-L356 PolarHBondContact NE-O 3.5Å; R309-L356 PolarHBondContact NH2-O 2.96Å; V353-L356 HydrophobicContact CB-CD1 4.25Å; V353-L356 WeakPolarHBondContact O-CB 3.28Å; V353-L356 PolarHBondContact O-N 2.81Å | ||
| 357 | N | 94 | Very high | 94.5 | Very high | 130 Ų | 130 | 79.8 Ų | 79.8 | 70% | 0.695 | 42% | 0.424 | S | S | * | . | trans | -107.7 | 149.2 | 176.3 | -63.7 | -54.6 | 0 | 0 | 0 | 110.2 | V305 A355 | V305-N357 VanDerWaalsContact CG2-O 3.27Å; V305-N357 WeakPolarHBondContact CG2-O 3.35Å; A355-N357 PolarHBondContact O-N 2.93Å; A355-N357 PolarHBondContact O-ND2 3.37Å | ||
| 358 | F | 94.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 82.7 Ų | 82.7 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | trans | -59.7 | 146.5 | 168.3 | -72.5 | -65.2 | 0 | 0 | 0 | 110.1 | L208 V302 V305 Q306 | L208-F358 HydrophobicContact CB-CZ 4.23Å; L208-F358 HydrophobicContact CD2-CE2 3.86Å; L208-F358 HydrophobicContact CD2-CZ 3.86Å; V302-F358 HydrophobicContact CB-CD1 4.35Å; V302-F358 HydrophobicContact CG1-CD1 4.14Å; V302-F358 HydrophobicContact CG1-CE1 3.94Å; V302-F358 HydrophobicContact CG2-CD1 4.16Å; V305-F358 HydrophobicContact CB-CD1 4.09Å; V305-F358 HydrophobicContact CB-CE1 4.02Å; V305-F358 HydrophobicContact CG1-CD1 4.1Å; V305-F358 HydrophobicContact CG1-CE1 3.94Å; V305-F358 HydrophobicContact CG1-CZ 4.22Å; V305-F358 HydrophobicContact CG2-CD1 4.46Å; Q306-F358 HydrophobicContact CG-CE1 3.93Å; Q306-F358 HydrophobicContact CG-CZ 4.09Å | ||
| 359 | P | 92.4 | Very high | 93.9 | Very high | 46 Ų | 46 | 78.9 Ų | 78.9 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | trans | -58.4 | 148.2 | 171 | 27.9 | -35.6 | 0 | 0 | 0 | 110.2 | T298 E301 V302 | T298-P359 HydrophobicContact CG2-CB 4.36Å; T298-P359 HydrophobicContact CG2-CG 3.8Å; E301-P359 HydrophobicContact CB-CB 4.37Å; E301-P359 HydrophobicContact CB-CG 3.95Å; V302-P359 HydrophobicContact CG2-CG 3.71Å | ||
| 360 | E | 78.3 | Confident | 93.6 | Very high | 264 Ų | 264 | 83.2 Ų | 83.2 | 100% | 1.234 | 46% | 0.457 | S | S | * | . | trans | -64.4 | 0 | 178.3 | -68.7 | -174.4 | 171.1 | 0 | 0 | 113.5 |
Retrieved 360 of 360 residues in 1158.3 ms
(Link to these results)