| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 48.2 | Very low | 235 Ų | 235 | 115.5 Ų | 115.5 | 100% | 1.158 | 68% | 0.677 | S | S | * | * | 0 | 131.8 | 0 | -57.4 | -155.2 | -152.6 | 0 | 0 | 106.7 | A3 | M1-A3 PolarHBondContact O-N 3.44Š| |||
| 2 | P | 32.1 | Very low | 52.4 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 132.5 | -178.7 | 28.2 | -29.5 | 0 | 0 | 0 | 108.9 | A4 | P2-A4 PolarHBondContact O-N 3.29Š|
| 3 | A | 36.6 | Very low | 55.9 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | M1 T5 | M1-A3 PolarHBondContact O-N 3.44Å; A3-T5 PolarHBondContact O-N 3.23Å; A3-T5 VanDerWaalsContact O-N 3.15Å |
| 4 | A | 39.1 | Very low | 58.9 | Low | 88 Ų | 88 | 99.9 Ų | 99.9 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | P2 V6 | P2-A4 PolarHBondContact O-N 3.29Å; A4-V6 PolarHBondContact O-N 2.69Å |
| 5 | T | 37.8 | Very low | 61.6 | Low | 138 Ų | 138 | 93.3 Ų | 93.3 | 85% | 0.847 | 54% | 0.54 | S | S | * | . | trans | -58.1 | 105.8 | 167 | 45.3 | 0 | 0 | 0 | 0 | 107 | A3 D7 | A3-T5 PolarHBondContact O-N 3.23Å; A3-T5 VanDerWaalsContact O-N 3.15Å; T5-D7 PolarHBondContact O-N 3.07Å; T5-D7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | V | 44 | Very low | 63.9 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | trans | -65.8 | 113.1 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 106 | A4 H8 | A4-V6 PolarHBondContact O-N 2.69Å; V6-H8 PolarHBondContact O-CD2 3.21Å; V6-H8 PolarHBondContact O-N 3.14Å | ||
| 7 | D | 43.5 | Very low | 66 | Low | 107 Ų | 107 | 86.9 Ų | 86.9 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | trans | -67.7 | 100.6 | 174.4 | -175.4 | -1.3 | 0 | 0 | 0 | 108.3 | T5 S9 | T5-D7 PolarHBondContact O-N 3.07Å; T5-D7 VanDerWaalsContact O-N 3.14Å; D7-S9 PolarHBondContact O-N 2.71Å; D7-S9 VanDerWaalsContact OD1-CB 3.27Å; D7-S9 WeakPolarHBondContact OD1-CB 3.42Å; D7-S9 PolarHBondContact OD1-N 2.66Å; D7-S9 VanDerWaalsContact OD1-N 3.13Å; D7-S9 PolarHBondContact OD1-OG 3.15Å; D7-S9 PolarHBondContact OD2-OG 2.99Å | ||
| 8 | H | 52.4 | Low | 67.8 | Low | 116 Ų | 116 | 89.2 Ų | 89.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -65.7 | -13.8 | -178.2 | -64.9 | -81.5 | 0 | 0 | 0 | 112.7 | V6 Q10 R11 | V6-H8 PolarHBondContact O-CD2 3.21Å; V6-H8 PolarHBondContact O-N 3.14Å; H8-Q10 PolarHBondContact O-N 3.19Å; H8-R11 WeakPolarHBondContact O-CB 3.38Å; H8-R11 PolarHBondContact O-N 3.36Å |
| 9 | S | 52.5 | Low | 69.4 | Low | 89 Ų | 89 | 86.2 Ų | 86.2 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -66.9 | -19.7 | -177.8 | 71.2 | 0 | 0 | 0 | 0 | 114 | D7 | D7-S9 PolarHBondContact O-N 2.71Å; D7-S9 VanDerWaalsContact OD1-CB 3.27Å; D7-S9 WeakPolarHBondContact OD1-CB 3.42Å; D7-S9 PolarHBondContact OD1-N 2.66Å; D7-S9 VanDerWaalsContact OD1-N 3.13Å; D7-S9 PolarHBondContact OD1-OG 3.15Å; D7-S9 PolarHBondContact OD2-OG 2.99Å |
| 10 | Q | 67.3 | Low | 70.9 | Confident | 132 Ų | 132 | 81.9 Ų | 81.9 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -91.4 | 0 | 177.8 | -96.3 | -174.6 | -15.1 | 0 | 0 | 114.7 | H8 T92 | H8-Q10 PolarHBondContact O-N 3.19Å; Q10-T92 VanDerWaalsContact O-CA 3.28Å; Q10-T92 WeakPolarHBondContact O-CA 3.17Å; Q10-T92 PolarHBondContact O-N 3.23Å; Q10-T92 PolarHBondContact O-OG1 2.76Å |
| 11 | R | 90.8 | Very high | 72.2 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 19% | 0.189 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -79.7 | -40.7 | -168.3 | -163.4 | 64.4 | 177.9 | -110.9 | -14.5 | 114 | H8 Y88 S93 T94 L232 | H8-R11 WeakPolarHBondContact O-CB 3.38Å; H8-R11 PolarHBondContact O-N 3.36Å; R11-Y88 VanDerWaalsContact NH2-CD1 3.29Å; R11-S93 WeakPolarHBondContact CD-OG 3.2Å; R11-S93 PolarHBondContact NE-OG 2.78Å; R11-S93 PolarHBondContact O-N 2.93Å; R11-S93 VanDerWaalsContact O-N 3.13Å; R11-T94 PolarHBondContact O-N 2.9Å; R11-L232 HydrophobicContact CG-CD2 4.41Å |
| 12 | I | 97.9 | Very high | 75.3 | Confident | 33 Ų | 33 | 76 Ų | 76 | 17% | 0.169 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.9 | 177.7 | -57.7 | 175.6 | 0 | 0 | 0 | 108.1 | T94 Q96 I221 | I12-T94 CarbonylContact C-O 3.52Å; I12-T94 WeakPolarHBondContact CA-O 3.29Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 4Å; I12-T94 HydrophobicContact CG2-CG2 4.17Å; I12-Q96 HydrophobicContact CG2-CB 4.13Å; I12-I221 WeakPolarHBondContact CD1-O 3.4Å |
| 13 | C | 98.4 | Very high | 78.4 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.142 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.7 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | V15 T92 T94 W95 Q96 | C13-V15 PolarHBondContact O-N 3.47Å; C13-T92 HydrophobicContact CB-CG2 3.46Å; C13-T92 VanDerWaalsContact CB-CG2 3.46Å; C13-T94 PolarHBondContact N-O 3.32Å; C13-W95 WeakPolarHBondContact O-CA 3.27Å; C13-Q96 PolarHBondContact O-N 2.9Å |
| 14 | E | 98.6 | Very high | 81.4 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.1 | 171 | -65 | -56.7 | 121.1 | 0 | 0 | 110.7 | N19 Q96 N98 | E14-N19 PolarHBondContact O-ND2 3.11Å; E14-Q96 PolarHBondContact OE1-NE2 2.97Å; E14-Q96 PolarHBondContact OE2-NE2 2.97Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.08Å; E14-N98 PolarHBondContact OE2-ND2 3.17Å |
| 15 | V | 98.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.8 | 177.9 | -163.2 | 0 | 0 | 0 | 0 | 109.3 | C13 N19 L20 E23 W95 Q96 F97 N98 I131 | C13-V15 PolarHBondContact O-N 3.47Å; V15-N19 WeakPolarHBondContact CA-OD1 3.47Å; V15-L20 HydrophobicContact CG1-CB 4.22Å; V15-L20 HydrophobicContact CG1-CD1 4.03Å; V15-E23 HydrophobicContact CG1-CB 4.3Å; V15-E23 HydrophobicContact CG1-CG 4.47Å; V15-E23 HydrophobicContact CG2-CB 4.18Å; V15-E23 HydrophobicContact CG2-CG 4.2Å; V15-W95 HydrophobicContact CG2-CB 4.06Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; V15-Q96 PolarHBondContact N-O 3.06Å; V15-F97 HydrophobicContact CB-CD1 3.71Å; V15-F97 HydrophobicContact CB-CE1 4.05Å; V15-F97 HydrophobicContact CB-CG 4.38Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.88Å; V15-F97 HydrophobicContact CG2-CD1 4.05Å; V15-F97 HydrophobicContact CG2-CE1 3.97Å; V15-F97 HydrophobicContact CG2-CZ 4.48Å; V15-N98 WeakPolarHBondContact O-CB 3.39Å; V15-N98 PolarHBondContact O-N 2.92Å; V15-N98 PolarHBondContact O-ND2 2.92Å; V15-I131 HydrophobicContact CB-CD1 4.27Å; V15-I131 HydrophobicContact CG1-CD1 4.03Å; V15-I131 WeakPolarHBondContact O-CD1 3.35Å |
| 16 | W | 98.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | trans | -124.9 | 178.1 | 176.9 | -59.7 | 88.5 | 0 | 0 | 0 | 108.8 | N18 N19 L20 N98 K125 H126 E129 I131 | W16-N18 PolarHBondContact O-N 3.04Å; W16-N19 PolarHBondContact N-OD1 2.92Å; W16-N19 PolarHBondContact O-N 3.04Å; W16-N19 PolarHBondContact O-OD1 3.31Å; W16-L20 WeakPolarHBondContact O-CB 3.24Å; W16-L20 PolarHBondContact O-N 3.01Å; W16-L20 VanDerWaalsContact O-N 3.07Å; W16-N98 HydrophobicContact CD2-CB 3.83Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.46Å; W16-N98 VanDerWaalsContact CH2-CB 3.46Å; W16-N98 HydrophobicContact CZ2-CB 3.76Å; W16-N98 VanDerWaalsContact CZ2-CG 3.4Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.29Å; W16-K125 HydrophobicContact CE3-CD 4.32Å; W16-K125 HydrophobicContact CE3-CG 4.08Å; W16-K125 HydrophobicContact CH2-CB 4.01Å; W16-K125 HydrophobicContact CH2-CD 3.68Å; W16-K125 HydrophobicContact CH2-CG 3.79Å; W16-K125 HydrophobicContact CZ2-CD 3.63Å; W16-K125 HydrophobicContact CZ2-CG 4.23Å; W16-K125 HydrophobicContact CZ3-CB 4.07Å; W16-K125 HydrophobicContact CZ3-CD 4.02Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; W16-H126 AromaticContact CH2-CD2 3.9Å; W16-H126 AromaticContact CH2-NE2 3.91Å; W16-E129 HydrophobicContact CE3-CB 4.08Å; W16-I131 VanDerWaalsContact C-CG1 3.47Å | ||
| 17 | S | 98.8 | Very high | 89.7 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.2 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | E129 | S17-E129 VanDerWaalsContact CB-O 3.31Å; S17-E129 WeakPolarHBondContact CB-O 3.49Å; S17-E129 PolarHBondContact N-O 2.82Å; S17-E129 PolarHBondContact OG-O 3.45Å |
| 18 | N | 98.5 | Very high | 92.3 | Very high | 127 Ų | 127 | 59.6 Ų | 59.6 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -24.6 | -174.6 | 65.5 | -10.2 | 0 | 0 | 0 | 115 | W16 | W16-N18 PolarHBondContact O-N 3.04Š|
| 19 | N | 98.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 0.4 | -178.7 | 71.1 | -22.7 | 0 | 0 | 0 | 114 | E14 V15 W16 E21 E22 E23 | E14-N19 PolarHBondContact O-ND2 3.11Å; V15-N19 WeakPolarHBondContact CA-OD1 3.47Å; W16-N19 PolarHBondContact N-OD1 2.92Å; W16-N19 PolarHBondContact O-N 3.04Å; W16-N19 PolarHBondContact O-OD1 3.31Å; N19-E21 PolarHBondContact O-N 3.08Å; N19-E22 WeakPolarHBondContact O-CB 3.37Å; N19-E22 PolarHBondContact O-N 3.35Å; N19-E22 VanDerWaalsContact O-N 3.07Å; N19-E23 PolarHBondContact O-N 3.48Å |
| 20 | L | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -48.9 | -50.8 | -178.6 | 174.9 | 62 | 0 | 0 | 0 | 113.7 | V15 W16 E22 E23 L24 F97 I131 Y135 F136 L139 | V15-L20 HydrophobicContact CG1-CB 4.22Å; V15-L20 HydrophobicContact CG1-CD1 4.03Å; W16-L20 WeakPolarHBondContact O-CB 3.24Å; W16-L20 PolarHBondContact O-N 3.01Å; W16-L20 VanDerWaalsContact O-N 3.07Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.25Å; L20-E23 PolarHBondContact O-N 2.63Å; L20-L24 HydrophobicContact CD1-CD2 3.97Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 WeakPolarHBondContact O-CB 3.41Å; L20-L24 PolarHBondContact O-N 2.87Å; L20-F97 HydrophobicContact CD1-CD1 4.02Å; L20-F97 HydrophobicContact CD1-CE1 3.91Å; L20-I131 HydrophobicContact CD1-CD1 4.18Å; L20-I131 HydrophobicContact CD2-CG1 4.5Å; L20-I131 HydrophobicContact CD2-CG2 3.68Å; L20-Y135 HydrophobicContact CD2-CD1 3.77Å; L20-Y135 HydrophobicContact CD2-CE1 4.19Å; L20-F136 HydrophobicContact CD1-CD2 4.07Å; L20-L139 HydrophobicContact CD2-CD1 3.82Å; L20-L139 HydrophobicContact CG-CD1 3.79Å |
| 21 | E | 98.7 | Very high | 98.1 | Very high | 89 Ų | 89 | 51 Ų | 51 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -36.7 | -178.8 | -78.9 | -173.5 | -136.1 | 0 | 0 | 113.3 | N19 K25 Y135 L139 | N19-E21 PolarHBondContact O-N 3.08Å; E21-K25 WeakPolarHBondContact O-CD 3.41Å; E21-K25 WeakPolarHBondContact O-CG 3.5Å; E21-K25 PolarHBondContact O-N 3.03Å; E21-K25 VanDerWaalsContact O-N 3.08Å; E21-K25 IonicContact OE2-NZ 3.64Å; E21-Y135 VanDerWaalsContact CD-OH 3.24Å; E21-Y135 HydrophobicContact CG-CE1 4.33Å; E21-Y135 WeakPolarHBondContact CG-OH 3.4Å; E21-Y135 PolarHBondContact OE1-OH 3.24Å; E21-L139 HydrophobicContact CG-CD1 4.05Å |
| 22 | E | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -47.6 | 179.1 | -177 | 178.7 | 169.7 | 0 | 0 | 110.1 | N19 L20 K25 R26 | N19-E22 WeakPolarHBondContact O-CB 3.37Å; N19-E22 PolarHBondContact O-N 3.35Å; N19-E22 VanDerWaalsContact O-N 3.07Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.25Å; E22-K25 WeakPolarHBondContact O-CB 3.39Å; E22-K25 PolarHBondContact O-N 2.93Å; E22-R26 PolarHBondContact O-N 3.44Å; E22-R26 IonicContact OE1-CZ 3.56Å; E22-R26 IonicContact OE1-NE 3.96Å; E22-R26 IonicContact OE1-NH2 2.69Å; E22-R26 PolarHBondContact OE1-NH2 3.26Å |
| 23 | E | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.5 | -37.3 | -178.1 | -63.2 | -50.8 | 137 | 0 | 0 | 112 | V15 N19 L20 K25 R26 I27 W95 | V15-E23 HydrophobicContact CG1-CB 4.3Å; V15-E23 HydrophobicContact CG1-CG 4.47Å; V15-E23 HydrophobicContact CG2-CB 4.18Å; V15-E23 HydrophobicContact CG2-CG 4.2Å; N19-E23 PolarHBondContact O-N 3.48Å; L20-E23 PolarHBondContact O-N 2.63Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.43Å; E23-R26 VanDerWaalsContact CD-NH1 3.28Å; E23-R26 WeakPolarHBondContact O-CA 3.49Å; E23-R26 WeakPolarHBondContact O-CB 3.49Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.17Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH1 2.71Å; E23-R26 PolarHBondContact OE1-NH1 3.44Å; E23-R26 IonicContact OE1-NH2 3.64Å; E23-R26 WeakPolarHBondContact OE2-CD 3.42Å; E23-R26 IonicContact OE2-CZ 3.79Å; E23-R26 IonicContact OE2-NE 3.94Å; E23-R26 IonicContact OE2-NH1 3.07Å; E23-R26 PolarHBondContact OE2-NH1 3.07Å; E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 3.07Å; E23-W95 PolarHBondContact OE2-NE1 2.92Å |
| 24 | L | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 171.8 | -91.3 | -102.3 | 0 | 0 | 0 | 112.2 | L20 R26 I27 R28 F97 L139 L140 | L20-L24 HydrophobicContact CD1-CD2 3.97Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 WeakPolarHBondContact O-CB 3.41Å; L20-L24 PolarHBondContact O-N 2.87Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.43Å; L24-I27 HydrophobicContact CD2-CD1 3.84Å; L24-I27 PolarHBondContact O-N 2.87Å; L24-R28 VanDerWaalsContact O-CG 3.24Å; L24-R28 WeakPolarHBondContact O-CG 3.11Å; L24-R28 PolarHBondContact O-N 3.44Å; L24-F97 HydrophobicContact CD2-CE1 3.53Å; L24-F97 HydrophobicContact CD2-CZ 3.73Å; L24-L139 HydrophobicContact CD1-CB 3.65Å; L24-L139 HydrophobicContact CG-CB 4.1Å; L24-L139 HydrophobicContact CG-CD1 4.47Å; L24-L140 HydrophobicContact CD1-CD1 4.48Å |
| 25 | K | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 172 | -74.8 | 163.1 | -169.7 | 159.7 | 0 | 111.7 | E21 E22 E23 | E21-K25 WeakPolarHBondContact O-CD 3.41Å; E21-K25 WeakPolarHBondContact O-CG 3.5Å; E21-K25 PolarHBondContact O-N 3.03Å; E21-K25 VanDerWaalsContact O-N 3.08Å; E21-K25 IonicContact OE2-NZ 3.64Å; E22-K25 WeakPolarHBondContact O-CB 3.39Å; E22-K25 PolarHBondContact O-N 2.93Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.43Å |
| 26 | R | 98.3 | Very high | 98.5 | Very high | 109 Ų | 109 | 63.9 Ų | 63.9 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.3 | -45.5 | 175.3 | -64.8 | 177.6 | -174.4 | 167.8 | 3.1 | 111.4 | E22 E23 L24 R28 Q29 V30 W95 | E22-R26 PolarHBondContact O-N 3.44Å; E22-R26 IonicContact OE1-CZ 3.56Å; E22-R26 IonicContact OE1-NE 3.96Å; E22-R26 IonicContact OE1-NH2 2.69Å; E22-R26 PolarHBondContact OE1-NH2 3.26Å; E23-R26 VanDerWaalsContact CD-NH1 3.28Å; E23-R26 WeakPolarHBondContact O-CA 3.49Å; E23-R26 WeakPolarHBondContact O-CB 3.49Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.17Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH1 2.71Å; E23-R26 PolarHBondContact OE1-NH1 3.44Å; E23-R26 IonicContact OE1-NH2 3.64Å; E23-R26 WeakPolarHBondContact OE2-CD 3.42Å; E23-R26 IonicContact OE2-CZ 3.79Å; E23-R26 IonicContact OE2-NE 3.94Å; E23-R26 IonicContact OE2-NH1 3.07Å; E23-R26 PolarHBondContact OE2-NH1 3.07Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.43Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.13Å; R26-Q29 WeakPolarHBondContact O-CA 3.34Å; R26-Q29 WeakPolarHBondContact O-CB 3.42Å; R26-Q29 PolarHBondContact O-N 2.89Å; R26-V30 WeakPolarHBondContact O-CG2 3.42Å; R26-V30 PolarHBondContact O-N 2.79Å; R26-W95 HydrophobicContact CB-CZ2 4.46Å |
| 27 | I | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -42.8 | 176.4 | -74.3 | 164.8 | 0 | 0 | 0 | 111.4 | E23 L24 Q29 V30 I31 F81 W95 F97 V145 | E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 3.07Å; L24-I27 HydrophobicContact CD2-CD1 3.84Å; L24-I27 PolarHBondContact O-N 2.87Å; I27-Q29 PolarHBondContact O-N 3.03Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; I27-V30 PolarHBondContact O-N 2.97Å; I27-I31 WeakPolarHBondContact O-CG2 3.38Å; I27-I31 PolarHBondContact O-N 3.18Å; I27-F81 HydrophobicContact CB-CZ 4.41Å; I27-F81 HydrophobicContact CD1-CE2 4.33Å; I27-F81 HydrophobicContact CD1-CZ 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.04Å; I27-F81 HydrophobicContact CG1-CZ 4.13Å; I27-F81 HydrophobicContact CG2-CE1 3.98Å; I27-F81 HydrophobicContact CG2-CE2 4.28Å; I27-F81 HydrophobicContact CG2-CZ 3.51Å; I27-W95 HydrophobicContact CD1-CB 4.24Å; I27-W95 HydrophobicContact CD1-CD2 3.79Å; I27-W95 HydrophobicContact CD1-CE3 4.28Å; I27-W95 HydrophobicContact CD1-CG 3.76Å; I27-W95 HydrophobicContact CG1-CD2 3.77Å; I27-W95 HydrophobicContact CG1-CE3 4Å; I27-W95 HydrophobicContact CG1-CG 4.28Å; I27-W95 HydrophobicContact CG1-CH2 4.36Å; I27-W95 HydrophobicContact CG1-CZ2 4.12Å; I27-W95 HydrophobicContact CG1-CZ3 4.29Å; I27-F97 HydrophobicContact CD1-CE2 4.44Å; I27-F97 HydrophobicContact CD1-CZ 3.63Å; I27-V145 HydrophobicContact CG2-CG2 3.67Å |
| 28 | R | 98.5 | Very high | 98.5 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.6 | -25.9 | 174.5 | -75.1 | 170.4 | -171.9 | 170.2 | 2.6 | 113.9 | L24 R26 L139 | L24-R28 VanDerWaalsContact O-CG 3.24Å; L24-R28 WeakPolarHBondContact O-CG 3.11Å; L24-R28 PolarHBondContact O-N 3.44Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.13Å; R28-L139 PolarHBondContact NH2-O 3.44Å |
| 29 | Q | 98.2 | Very high | 98.5 | Very high | 120 Ų | 120 | 54 Ų | 54 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -86.1 | -40.6 | 173.4 | -59.1 | -53.8 | -43.5 | 0 | 0 | 111.9 | R26 I27 R32 | R26-Q29 WeakPolarHBondContact O-CA 3.34Å; R26-Q29 WeakPolarHBondContact O-CB 3.42Å; R26-Q29 PolarHBondContact O-N 2.89Å; I27-Q29 PolarHBondContact O-N 3.03Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-R32 PolarHBondContact O-N 3.47Å |
| 30 | V | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | -178.4 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | R26 I27 R32 K33 Y34 F81 P89 W95 | R26-V30 WeakPolarHBondContact O-CG2 3.42Å; R26-V30 PolarHBondContact O-N 2.79Å; I27-V30 PolarHBondContact O-N 2.97Å; V30-R32 PolarHBondContact O-N 2.98Å; V30-K33 PolarHBondContact O-N 3.23Å; V30-Y34 HydrophobicContact CG1-CD2 3.98Å; V30-Y34 HydrophobicContact CG1-CG 4.26Å; V30-Y34 PolarHBondContact O-N 3.34Å; V30-F81 HydrophobicContact CG1-CB 3.58Å; V30-F81 HydrophobicContact CG1-CD1 4.03Å; V30-F81 HydrophobicContact CG1-CD2 4.5Å; V30-F81 HydrophobicContact CG1-CG 3.79Å; V30-P89 HydrophobicContact CG1-CB 4.17Å; V30-P89 HydrophobicContact CG1-CG 4.01Å; V30-P89 HydrophobicContact CG2-CB 4.4Å; V30-W95 HydrophobicContact CG2-CH2 4.05Å |
| 31 | I | 98.3 | Very high | 98.5 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.7 | -175.9 | -169.7 | 52.2 | 0 | 0 | 0 | 113.6 | I27 K33 I37 F81 V145 V151 | I27-I31 WeakPolarHBondContact O-CG2 3.38Å; I27-I31 PolarHBondContact O-N 3.18Å; I31-K33 VanDerWaalsContact C-N 3.26Å; I31-K33 PolarHBondContact O-N 2.98Å; I31-I37 HydrophobicContact CD1-CD1 3.66Å; I31-I37 HydrophobicContact CD1-CG1 4.03Å; I31-F81 HydrophobicContact CB-CE1 4.41Å; I31-F81 HydrophobicContact CD1-CD1 4.23Å; I31-F81 HydrophobicContact CD1-CE1 4.06Å; I31-V145 HydrophobicContact CB-CG2 4.36Å; I31-V145 HydrophobicContact CG1-CG2 4.12Å; I31-V151 HydrophobicContact CD1-CG1 4.24Å; I31-V151 HydrophobicContact CD1-CG2 4Å; I31-V151 HydrophobicContact CG1-CG2 4.32Å |
| 32 | R | 97.4 | Very high | 98.5 | Very high | 196 Ų | 196 | 50.3 Ų | 50.3 | 74% | 0.74 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.8 | 178.4 | -57.4 | 179.3 | 68.2 | -177.2 | 3.5 | 113.7 | Q29 V30 | Q29-R32 PolarHBondContact O-N 3.47Å; V30-R32 PolarHBondContact O-N 2.98Å |
| 33 | K | 98.2 | Very high | 98.5 | Very high | 165 Ų | 165 | 46.6 Ų | 46.6 | 72% | 0.717 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -27.2 | -178.7 | -67.3 | -174.6 | 179.4 | -177.4 | 0 | 113 | V30 I31 | V30-K33 PolarHBondContact O-N 3.23Å; I31-K33 VanDerWaalsContact C-N 3.26Å; I31-K33 PolarHBondContact O-N 2.98Å |
| 34 | Y | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | trans | -117.3 | 81.9 | -177.4 | -60.4 | -88.2 | 0 | 0 | 0 | 107.7 | V30 M82 N83 E87 Y88 P89 | V30-Y34 HydrophobicContact CG1-CD2 3.98Å; V30-Y34 HydrophobicContact CG1-CG 4.26Å; V30-Y34 PolarHBondContact O-N 3.34Å; Y34-M82 CarbonylContact C-O 2.99Å; Y34-M82 WeakPolarHBondContact CA-O 3.39Å; Y34-M82 WeakPolarHBondContact CB-O 3.13Å; Y34-N83 HydrophobicContact CD1-CB 3.88Å; Y34-N83 HydrophobicContact CE1-CB 4.27Å; Y34-E87 WeakPolarHBondContact CD1-O 3.43Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.28Å; Y34-Y88 PolarHBondContact OH-O 3.18Å; Y34-P89 HydrophobicContact CD2-CB 3.86Å; Y34-P89 HydrophobicContact CE1-CB 4.35Å; Y34-P89 VanDerWaalsContact CE1-N 3.31Å; Y34-P89 HydrophobicContact CE2-CB 3.67Å; Y34-P89 HydrophobicContact CG-CB 4.29Å | ||
| 35 | N | 98.5 | Very high | 98.3 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | trans | -92.6 | 1.1 | -170.9 | 65.6 | -40.6 | 0 | 0 | 0 | 114.2 | M82 G150 V151 K152 | N35-M82 PolarHBondContact N-O 3.25Å; N35-M82 VanDerWaalsContact N-O 3.14Å; N35-G150 PolarHBondContact ND2-O 3.37Å; N35-V151 WeakPolarHBondContact O-CA 3.21Å; N35-K152 PolarHBondContact O-N 2.87Å | ||
| 36 | Y | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.9 | 167.9 | -82 | -108.4 | 0 | 0 | 0 | 109 | F81 M82 E84 K152 L154 F238 F239 | Y36-F81 CarbonylContact O-C 3.56Å; Y36-F81 WeakPolarHBondContact O-CA 3.45Å; Y36-M82 WeakPolarHBondContact CB-O 3.3Å; Y36-M82 PolarHBondContact N-O 3.27Å; Y36-M82 PolarHBondContact O-N 3.12Å; Y36-E84 HydrophobicContact CE2-CB 4.12Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.27Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.49Å; Y36-E84 VanDerWaalsContact OH-CD 3.25Å; Y36-E84 PolarHBondContact OH-OE1 2.83Å; Y36-E84 PolarHBondContact OH-OE2 3.47Å; Y36-K152 CarbonylContact C-O 3.56Å; Y36-K152 WeakPolarHBondContact CA-O 3.16Å; Y36-K152 HydrophobicContact CD1-CB 4.15Å; Y36-K152 HydrophobicContact CD1-CD 4.49Å; Y36-K152 HydrophobicContact CD2-CD 4.28Å; Y36-K152 HydrophobicContact CE1-CB 4.15Å; Y36-K152 HydrophobicContact CE1-CD 3.79Å; Y36-K152 HydrophobicContact CE2-CD 3.52Å; Y36-K152 HydrophobicContact CG-CB 4.35Å; Y36-K152 WeakPolarHBondContact OH-CD 3.21Å; Y36-K152 PolarHBondContact OH-NZ 3.05Å; Y36-L154 HydrophobicContact CD1-CD1 3.87Å; Y36-L154 HydrophobicContact CD1-CD2 3.87Å; Y36-L154 HydrophobicContact CD1-CG 4.13Å; Y36-L154 HydrophobicContact CE1-CD2 4.24Å; Y36-F238 HydrophobicContact CD1-CE1 4.3Å; Y36-F238 AromaticContact CE1-CE1 3.88Å; Y36-F238 HydrophobicContact CE1-CE1 3.88Å; Y36-F238 HydrophobicContact CE1-CZ 4.29Å; Y36-F239 HydrophobicContact CD1-CE1 4.48Å; Y36-F239 HydrophobicContact CD1-CE2 4.22Å; Y36-F239 AromaticContact CD1-CZ 3.63Å; Y36-F239 HydrophobicContact CD1-CZ 3.63Å; Y36-F239 HydrophobicContact CD2-CZ 4.47Å; Y36-F239 HydrophobicContact CE1-CE1 4.47Å; Y36-F239 HydrophobicContact CE1-CZ 4.03Å; Y36-F239 HydrophobicContact CG-CE2 4.5Å; Y36-F239 AromaticContact CG-CZ 3.87Å; Y36-F239 HydrophobicContact CG-CZ 3.87Å |
| 37 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.4 | -178.7 | -51.2 | -178.9 | 0 | 0 | 0 | 108.1 | I31 L79 T80 F81 V145 V151 K152 W153 L154 | I31-I37 HydrophobicContact CD1-CD1 3.66Å; I31-I37 HydrophobicContact CD1-CG1 4.03Å; I37-L79 HydrophobicContact CG2-CB 4.32Å; I37-L79 HydrophobicContact CG2-CD2 3.92Å; I37-T80 CarbonylContact C-O 3.48Å; I37-T80 WeakPolarHBondContact CA-O 3.02Å; I37-F81 HydrophobicContact CD1-CD1 4.38Å; I37-F81 HydrophobicContact CD1-CE1 3.81Å; I37-F81 HydrophobicContact CG1-CD1 4Å; I37-F81 HydrophobicContact CG1-CE1 3.92Å; I37-V145 HydrophobicContact CD1-CB 4.3Å; I37-V145 HydrophobicContact CD1-CG1 3.57Å; I37-V145 HydrophobicContact CD1-CG2 4.41Å; I37-V151 HydrophobicContact CD1-CG1 3.53Å; I37-V151 HydrophobicContact CG1-CG1 3.94Å; I37-K152 PolarHBondContact N-O 3.14Å; I37-W153 HydrophobicContact CB-CD2 4.32Å; I37-W153 HydrophobicContact CB-CE3 4.41Å; I37-W153 HydrophobicContact CD1-CZ2 3.98Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.26Å; I37-W153 HydrophobicContact CG2-CZ3 4.04Å; I37-W153 CarbonylContact O-C 3.59Å; I37-W153 WeakPolarHBondContact O-CA 3.25Å; I37-L154 PolarHBondContact O-N 3.26Å |
| 38 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L79 T80 M82 L154 S231 T234 | A38-L79 WeakPolarHBondContact O-CA 3.27Å; A38-T80 PolarHBondContact N-O 3.13Å; A38-T80 PolarHBondContact O-N 3.19Å; A38-M82 HydrophobicContact CB-CE 3.57Å; A38-L154 CarbonylContact C-O 3.58Å; A38-L154 VanDerWaalsContact CA-O 3.27Å; A38-L154 WeakPolarHBondContact CA-O 3.1Å; A38-L154 HydrophobicContact CB-CB 4.04Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; A38-S231 WeakPolarHBondContact CB-O 3.35Å; A38-T234 HydrophobicContact CB-CG2 4.36Å |
| 39 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.8 | -171.9 | -179.1 | -86.5 | -58.4 | 0 | 0 | 111.5 | T41 L77 G78 L79 W153 L154 D161 F162 L165 | M39-T41 HydrophobicContact SD-CG2 3.81Å; M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.85Å; M39-G78 VanDerWaalsContact CA-O 3.28Å; M39-G78 WeakPolarHBondContact CA-O 3.46Å; M39-L79 HydrophobicContact CB-CD2 3.84Å; M39-L79 HydrophobicContact CG-CD2 3.58Å; M39-W153 HydrophobicContact CB-CE3 3.97Å; M39-W153 HydrophobicContact CB-CZ3 3.87Å; M39-W153 HydrophobicContact CG-CE3 4.44Å; M39-W153 HydrophobicContact CG-CZ3 3.96Å; M39-L154 PolarHBondContact N-O 2.75Å; M39-D161 HydrophobicContact CE-CB 3.6Å; M39-D161 HydrophobicContact SD-CB 3.68Å; M39-F162 HydrophobicContact CE-CD1 4.25Å; M39-F162 HydrophobicContact CE-CD2 4.37Å; M39-F162 HydrophobicContact CE-CE1 3.96Å; M39-F162 HydrophobicContact CE-CE2 4.09Å; M39-F162 HydrophobicContact CE-CG 4.45Å; M39-F162 HydrophobicContact CE-CZ 3.87Å; M39-L165 HydrophobicContact CE-CD1 3.75Å; M39-L165 HydrophobicContact CG-CD1 4.41Å; M39-L165 HydrophobicContact SD-CD1 4.15Å |
| 40 | D | 98.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.1 | 171 | -171.3 | 58.9 | 0 | 0 | 0 | 109.8 | G78 A227 D230 | D40-G78 PolarHBondContact N-O 3.39Å; D40-G78 PolarHBondContact O-N 2.81Å; D40-A227 WeakPolarHBondContact O-CB 3.49Å; D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.38Å |
| 41 | T | 98.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149 | 176.5 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | M39 I74 Q76 L77 D161 | M39-T41 HydrophobicContact SD-CG2 3.81Å; T41-I74 HydrophobicContact CG2-CD1 3.9Å; T41-Q76 WeakPolarHBondContact CA-O 3.44Å; T41-Q76 WeakPolarHBondContact CB-O 3.45Å; T41-L77 HydrophobicContact CG2-CD1 3.72Å; T41-D161 WeakPolarHBondContact CB-OD1 3.31Å; T41-D161 HydrophobicContact CG2-CB 3.97Å; T41-D161 PolarHBondContact N-OD1 3.37Å; T41-D161 PolarHBondContact OG1-OD1 3.29Å |
| 42 | E | 98.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.9 | 168.7 | -61 | -64.4 | 175.6 | 0 | 0 | 110.1 | I75 Q76 L116 H225 Q226 A227 | E42-I75 WeakPolarHBondContact O-CA 3.19Å; E42-I75 WeakPolarHBondContact O-CB 3.27Å; E42-I75 PolarHBondContact O-N 3.32Å; E42-Q76 HydrophobicContact CB-CB 4.04Å; E42-Q76 HydrophobicContact CG-CB 4.3Å; E42-Q76 PolarHBondContact N-O 2.88Å; E42-Q76 PolarHBondContact O-N 2.97Å; E42-L116 HydrophobicContact CB-CD2 3.99Å; E42-L116 HydrophobicContact CG-CD2 4.02Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.26Å; E42-H225 WeakPolarHBondContact OE1-CA 3.35Å; E42-Q226 PolarHBondContact OE1-N 3.14Å; E42-A227 HydrophobicContact CG-CB 4.13Å |
| 43 | F | 98.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | trans | -152.9 | 166.2 | -176.9 | 63.1 | -94.1 | 0 | 0 | 0 | 110.4 | G45 Y160 Y164 Y277 | F43-G45 WeakPolarHBondContact CE2-O 3.39Å; F43-G45 PolarHBondContact O-N 3Å; F43-Y160 HydrophobicContact CE1-CG 4.48Å; F43-Y160 AromaticContact CE2-CD1 3.74Å; F43-Y160 HydrophobicContact CE2-CD1 3.74Å; F43-Y160 HydrophobicContact CE2-CE1 4.35Å; F43-Y160 HydrophobicContact CE2-CG 4.36Å; F43-Y160 AromaticContact CZ-CD1 3.64Å; F43-Y160 HydrophobicContact CZ-CD1 3.64Å; F43-Y160 AromaticContact CZ-CG 3.78Å; F43-Y160 HydrophobicContact CZ-CG 3.78Å; F43-Y164 HydrophobicContact CB-CD2 4.36Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.56Å; F43-Y164 WeakPolarHBondContact CB-OH 3.4Å; F43-Y164 AromaticContact CD1-CD2 4Å; F43-Y164 HydrophobicContact CD1-CD2 4Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.61Å; F43-Y164 HydrophobicContact CD2-CE2 3.61Å; F43-Y164 AromaticContact CD2-CZ 3.92Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.34Å; F43-Y164 HydrophobicContact CE1-CD2 4.49Å; F43-Y164 HydrophobicContact CE1-CE2 4.04Å; F43-Y164 HydrophobicContact CE2-CE2 4.12Å; F43-Y164 HydrophobicContact CG-CD2 4.16Å; F43-Y164 AromaticContact CG-CE2 3.27Å; F43-Y164 HydrophobicContact CG-CE2 3.27Å; F43-Y164 AromaticContact CG-CZ 3.73Å; F43-Y164 HydrophobicContact CZ-CE2 4.32Å; F43-Y277 HydrophobicContact CE2-CD2 4.4Å; F43-Y277 AromaticContact CE2-CE2 3.78Å; F43-Y277 HydrophobicContact CE2-CE2 3.78Å; F43-Y277 HydrophobicContact CZ-CD2 4.19Å; F43-Y277 AromaticContact CZ-CE2 3.8Å; F43-Y277 HydrophobicContact CZ-CE2 3.8Å | ||
| 44 | P | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -83.6 | 39.1 | -166.6 | 34.8 | -37.6 | 0 | 0 | 0 | 113.5 | L72 K73 I75 F101 Y108 A109 I113 | P44-L72 HydrophobicContact CG-CB 4.04Å; P44-L72 HydrophobicContact CG-CD1 4.26Å; P44-L72 HydrophobicContact CG-CD2 4.19Å; P44-L72 HydrophobicContact CG-CG 4.39Å; P44-K73 WeakPolarHBondContact CD-O 3.4Å; P44-I75 HydrophobicContact CB-CD1 4.15Å; P44-F101 HydrophobicContact CB-CE2 4.49Å; P44-F101 HydrophobicContact CB-CZ 4.08Å; P44-F101 HydrophobicContact CG-CE2 4Å; P44-F101 HydrophobicContact CG-CZ 4.02Å; P44-Y108 VanDerWaalsContact CB-CB 3.45Å; P44-A109 WeakPolarHBondContact O-CB 3.41Å; P44-A109 PolarHBondContact O-N 2.78Å; P44-I113 HydrophobicContact CB-CD1 4.15Å | ||
| 45 | G | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | trans | 70.7 | -142.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F43 L72 S112 | F43-G45 WeakPolarHBondContact CE2-O 3.39Å; F43-G45 PolarHBondContact O-N 3Å; G45-L72 WeakPolarHBondContact O-CD1 3.18Å; G45-S112 WeakPolarHBondContact CA-OG 3.23Å | ||
| 46 | V | 93.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | trans | -129.3 | 125.3 | -176.1 | 164.9 | 0 | 0 | 0 | 0 | 108.9 | L64 N68 Y160 Y277 | V46-L64 HydrophobicContact CG1-CD1 4.38Å; V46-N68 WeakPolarHBondContact CA-OD1 3.21Å; V46-N68 HydrophobicContact CG2-CB 4.36Å; V46-Y160 HydrophobicContact CG2-CE1 3.81Å; V46-Y160 WeakPolarHBondContact CG2-OH 3.38Å; V46-Y277 HydrophobicContact CG2-CD1 4.36Å; V46-Y277 HydrophobicContact CG2-CD2 3.66Å; V46-Y277 HydrophobicContact CG2-CE1 4.39Å; V46-Y277 HydrophobicContact CG2-CE2 3.69Å; V46-Y277 HydrophobicContact CG2-CG 4.02Å | ||
| 47 | V | 93.6 | Very high | 91.4 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | trans | -118.3 | -14.8 | -175.6 | -58.2 | 0 | 0 | 0 | 0 | 113.4 | N68 L71 L72 Y108 A109 | V47-N68 PolarHBondContact N-OD1 3.08Å; V47-L71 HydrophobicContact CG2-CD2 3.58Å; V47-L72 HydrophobicContact CG1-CD1 4.44Å; V47-L72 HydrophobicContact CG1-CD2 4.25Å; V47-L72 HydrophobicContact CG2-CD1 4.27Å; V47-L72 HydrophobicContact CG2-CD2 3.85Å; V47-L72 HydrophobicContact CG2-CG 4.31Å; V47-Y108 VanDerWaalsContact CG1-C 3.41Å; V47-A109 HydrophobicContact CG1-CB 4.06Å | ||
| 48 | A | 92.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | trans | -132 | 152.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L64 N68 L71 | A48-L64 WeakPolarHBondContact O-CD1 3.36Å; A48-N68 PolarHBondContact N-OD1 3.37Å; A48-N68 PolarHBondContact O-ND2 2.93Å; A48-N68 PolarHBondContact O-OD1 3.48Å; A48-L71 HydrophobicContact CB-CD2 4.27Å | ||
| 49 | R | 92.5 | Very high | 89.7 | Confident | 196 Ų | 196 | 62.5 Ų | 62.5 | 74% | 0.74 | 32% | 0.321 | S | S | * | . | trans | -119 | 136.1 | 168.2 | -67.4 | -174.2 | 179.4 | -161.7 | -1.4 | 109 | L64 | R49-L64 HydrophobicContact CB-CD1 4.48Å; R49-L64 HydrophobicContact CG-CD1 4.17Å | ||
| 50 | P | 88.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 16% | 0.156 | 33% | 0.332 | C | S | . | . | trans | -67.6 | 139.1 | 178.4 | 30.6 | -36.1 | 0 | 0 | 0 | 109.6 | F54 Y60 Q63 L64 | P50-F54 HydrophobicContact CB-CE1 4.07Å; P50-F54 HydrophobicContact CB-CZ 3.79Å; P50-F54 HydrophobicContact CG-CE1 4.01Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; P50-Y60 HydrophobicContact CG-CD2 4.33Å; P50-Y60 HydrophobicContact CG-CE2 3.95Å; P50-Q63 HydrophobicContact CB-CB 4.17Å; P50-Q63 HydrophobicContact CG-CB 4Å; P50-L64 HydrophobicContact CG-CB 4.4Å | ||
| 51 | I | 85.4 | Confident | 89.1 | Confident | 175 Ų | 175 | 65 Ų | 65 | 90% | 0.897 | 33% | 0.331 | S | S | * | . | trans | -99.2 | 126.6 | 176.7 | -59.3 | 174.6 | 0 | 0 | 0 | 107.9 | ||||
| 52 | G | 83.8 | Confident | 88.9 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 156 | -176.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F54 | G52-F54 WeakPolarHBondContact O-CE2 3.38Š|
| 53 | E | 80.4 | Confident | 88.8 | Confident | 201 Ų | 201 | 64.6 Ų | 64.6 | 94% | 0.939 | 33% | 0.328 | S | S | * | . | trans | -95.4 | 137.5 | 166.8 | -65.7 | -170.7 | 167.5 | 0 | 0 | 109.4 | ||||
| 54 | F | 84.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | trans | -119.1 | 142.6 | -176 | -54.5 | -84 | 0 | 0 | 0 | 110 | P50 G52 S56 Y60 Q63 | P50-F54 HydrophobicContact CB-CE1 4.07Å; P50-F54 HydrophobicContact CB-CZ 3.79Å; P50-F54 HydrophobicContact CG-CE1 4.01Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; G52-F54 WeakPolarHBondContact O-CE2 3.38Å; F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.64Å; F54-Y60 HydrophobicContact CD1-CD2 4.09Å; F54-Y60 AromaticContact CD2-CD2 3.46Å; F54-Y60 HydrophobicContact CD2-CD2 3.46Å; F54-Y60 VanDerWaalsContact CD2-CD2 3.46Å; F54-Y60 HydrophobicContact CD2-CE2 4.2Å; F54-Y60 HydrophobicContact CD2-CG 4.34Å; F54-Y60 HydrophobicContact CE1-CD2 4.07Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.77Å; F54-Y60 HydrophobicContact CE2-CE2 3.77Å; F54-Y60 AromaticContact CG-CD2 3.8Å; F54-Y60 HydrophobicContact CG-CD2 3.8Å; F54-Y60 HydrophobicContact CG-CG 4.4Å; F54-Y60 AromaticContact CZ-CD2 3.76Å; F54-Y60 HydrophobicContact CZ-CD2 3.76Å; F54-Y60 HydrophobicContact CZ-CE2 4.07Å; F54-Q63 HydrophobicContact CD1-CB 4.1Å; F54-Q63 HydrophobicContact CD1-CG 3.87Å; F54-Q63 HydrophobicContact CE1-CB 3.65Å; F54-Q63 HydrophobicContact CE1-CG 3.77Å | ||
| 55 | R | 77.9 | Confident | 88.6 | Confident | 193 Ų | 193 | 64.4 Ų | 64.4 | 73% | 0.728 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -71.3 | -26.4 | -174.4 | -59.8 | -178.8 | -170.5 | 141.9 | 12.2 | 112 | D59 E177 | R55-D59 PolarHBondContact N-OD2 2.95Å; R55-E177 IonicContact CZ-OE1 3.55Å; R55-E177 IonicContact CZ-OE2 2.83Å; R55-E177 IonicContact NH1-OE1 2.8Å; R55-E177 IonicContact NH1-OE2 3.15Å; R55-E177 PolarHBondContact NH1-OE2 3.11Å; R55-E177 IonicContact NH2-OE1 3.59Å; R55-E177 PolarHBondContact NH2-OE1 2.88Å; R55-E177 IonicContact NH2-OE2 3.82Å |
| 56 | S | 81.2 | Confident | 88.8 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -159.7 | 173 | 178.9 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | F54 A58 D59 Y60 | F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 2.64Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.19Å; S56-D59 PolarHBondContact O-N 3.04Å; S56-D59 WeakPolarHBondContact OG-CB 3.21Å; S56-D59 PolarHBondContact OG-N 3.12Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; S56-Y60 PolarHBondContact O-N 2.98Å |
| 57 | N | 81.5 | Confident | 88.9 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 171.4 | -170.1 | 21.5 | 0 | 0 | 0 | 111.7 | D59 Y60 Q61 | N57-D59 PolarHBondContact O-N 2.9Å; N57-Y60 WeakPolarHBondContact O-CB 3.06Å; N57-Y60 PolarHBondContact O-N 2.91Å; N57-Q61 WeakPolarHBondContact O-CG 3.44Å; N57-Q61 PolarHBondContact O-N 3.4Å; N57-Q61 PolarHBondContact OD1-NE2 3.23Å |
| 58 | A | 78.3 | Confident | 89.2 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S56 Y60 Q61 Y62 | S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.19Å; A58-Y60 VanDerWaalsContact C-N 3.35Å; A58-Y60 PolarHBondContact O-N 3.14Å; A58-Q61 WeakPolarHBondContact O-CB 3.39Å; A58-Q61 PolarHBondContact O-N 2.91Å; A58-Y62 PolarHBondContact O-N 3.5Å |
| 59 | D | 84.1 | Confident | 89.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 173.6 | 180 | 34.8 | 0 | 0 | 0 | 111.3 | R55 S56 N57 Q61 Y62 Q63 | R55-D59 PolarHBondContact N-OD2 2.95Å; S56-D59 PolarHBondContact O-N 3.04Å; S56-D59 WeakPolarHBondContact OG-CB 3.21Å; S56-D59 PolarHBondContact OG-N 3.12Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; N57-D59 PolarHBondContact O-N 2.9Å; D59-Q61 PolarHBondContact O-N 3.26Å; D59-Y62 PolarHBondContact O-N 2.89Å; D59-Q63 WeakPolarHBondContact O-CG 3.41Å; D59-Q63 PolarHBondContact O-N 2.89Å |
| 60 | Y | 91.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 55 Ų | 55 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.3 | 177.7 | -105.6 | 0 | 0 | 0 | 113.1 | P50 F54 S56 N57 A58 Y62 Q63 L64 | P50-Y60 HydrophobicContact CG-CD2 4.33Å; P50-Y60 HydrophobicContact CG-CE2 3.95Å; F54-Y60 HydrophobicContact CD1-CD2 4.09Å; F54-Y60 AromaticContact CD2-CD2 3.46Å; F54-Y60 HydrophobicContact CD2-CD2 3.46Å; F54-Y60 VanDerWaalsContact CD2-CD2 3.46Å; F54-Y60 HydrophobicContact CD2-CE2 4.2Å; F54-Y60 HydrophobicContact CD2-CG 4.34Å; F54-Y60 HydrophobicContact CE1-CD2 4.07Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.77Å; F54-Y60 HydrophobicContact CE2-CE2 3.77Å; F54-Y60 AromaticContact CG-CD2 3.8Å; F54-Y60 HydrophobicContact CG-CD2 3.8Å; F54-Y60 HydrophobicContact CG-CG 4.4Å; F54-Y60 AromaticContact CZ-CD2 3.76Å; F54-Y60 HydrophobicContact CZ-CD2 3.76Å; F54-Y60 HydrophobicContact CZ-CE2 4.07Å; S56-Y60 PolarHBondContact O-N 2.98Å; N57-Y60 WeakPolarHBondContact O-CB 3.06Å; N57-Y60 PolarHBondContact O-N 2.91Å; A58-Y60 VanDerWaalsContact C-N 3.35Å; A58-Y60 PolarHBondContact O-N 3.14Å; Y60-Y62 VanDerWaalsContact C-N 3.33Å; Y60-Y62 PolarHBondContact O-N 2.88Å; Y60-Q63 PolarHBondContact O-N 2.94Å; Y60-L64 HydrophobicContact CE1-CD2 4.49Å; Y60-L64 WeakPolarHBondContact O-CB 3.5Å; Y60-L64 PolarHBondContact O-N 3.19Å |
| 61 | Q | 93.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.3 | -67.7 | -56.2 | -49.4 | 0 | 0 | 111.3 | N57 A58 D59 L64 L65 L262 A276 | N57-Q61 WeakPolarHBondContact O-CG 3.44Å; N57-Q61 PolarHBondContact O-N 3.4Å; N57-Q61 PolarHBondContact OD1-NE2 3.23Å; A58-Q61 WeakPolarHBondContact O-CB 3.39Å; A58-Q61 PolarHBondContact O-N 2.91Å; D59-Q61 PolarHBondContact O-N 3.26Å; Q61-L64 PolarHBondContact O-N 2.82Å; Q61-L65 WeakPolarHBondContact O-CB 3.4Å; Q61-L65 PolarHBondContact O-N 3.47Å; Q61-L262 HydrophobicContact CB-CD2 4.04Å; Q61-A276 HydrophobicContact CB-CB 3.98Å |
| 62 | Y | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.4 | 178.5 | -105.2 | 0 | 0 | 0 | 112.2 | A58 D59 Y60 L64 L65 R66 P175 E178 F181 | A58-Y62 PolarHBondContact O-N 3.5Å; D59-Y62 PolarHBondContact O-N 2.89Å; Y60-Y62 VanDerWaalsContact C-N 3.33Å; Y60-Y62 PolarHBondContact O-N 2.88Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.83Å; Y62-L65 WeakPolarHBondContact O-CB 3.43Å; Y62-L65 PolarHBondContact O-N 3.2Å; Y62-R66 HydrophobicContact CE1-CB 4.45Å; Y62-R66 WeakPolarHBondContact O-CB 3.5Å; Y62-R66 PolarHBondContact O-N 3.28Å; Y62-P175 PolarHBondContact OH-O 2.8Å; Y62-E178 HydrophobicContact CD1-CB 3.69Å; Y62-E178 HydrophobicContact CD1-CG 4.44Å; Y62-E178 HydrophobicContact CD2-CB 4.15Å; Y62-E178 HydrophobicContact CD2-CG 4.03Å; Y62-E178 HydrophobicContact CE1-CB 4.28Å; Y62-E178 HydrophobicContact CG-CB 3.63Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; Y62-F181 HydrophobicContact CD2-CD1 4.36Å; Y62-F181 HydrophobicContact CE2-CB 3.57Å; Y62-F181 AromaticContact CE2-CD1 3.8Å; Y62-F181 HydrophobicContact CE2-CD1 3.8Å; Y62-F181 HydrophobicContact CE2-CD2 4.14Å; Y62-F181 AromaticContact CE2-CG 3.56Å; Y62-F181 HydrophobicContact CE2-CG 3.56Å; Y62-F181 VanDerWaalsContact OH-CB 3.3Å; Y62-F181 WeakPolarHBondContact OH-CB 3.36Å |
| 63 | Q | 95.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -33.3 | 178.3 | -64.8 | -56.4 | -33.6 | 0 | 0 | 112.5 | P50 F54 D59 Y60 C67 E176 | P50-Q63 HydrophobicContact CB-CB 4.17Å; P50-Q63 HydrophobicContact CG-CB 4Å; F54-Q63 HydrophobicContact CD1-CB 4.1Å; F54-Q63 HydrophobicContact CD1-CG 3.87Å; F54-Q63 HydrophobicContact CE1-CB 3.65Å; F54-Q63 HydrophobicContact CE1-CG 3.77Å; D59-Q63 WeakPolarHBondContact O-CG 3.41Å; D59-Q63 PolarHBondContact O-N 2.89Å; Y60-Q63 PolarHBondContact O-N 2.94Å; Q63-C67 WeakPolarHBondContact O-CB 3.31Å; Q63-C67 PolarHBondContact O-N 2.77Å; Q63-E176 PolarHBondContact NE2-O 3.32Å |
| 64 | L | 95.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 174.1 | -179.3 | 64 | 0 | 0 | 0 | 111.2 | V46 A48 R49 P50 Y60 Q61 Y62 N68 | V46-L64 HydrophobicContact CG1-CD1 4.38Å; A48-L64 WeakPolarHBondContact O-CD1 3.36Å; R49-L64 HydrophobicContact CB-CD1 4.48Å; R49-L64 HydrophobicContact CG-CD1 4.17Å; P50-L64 HydrophobicContact CG-CB 4.4Å; Y60-L64 HydrophobicContact CE1-CD2 4.49Å; Y60-L64 WeakPolarHBondContact O-CB 3.5Å; Y60-L64 PolarHBondContact O-N 3.19Å; Q61-L64 PolarHBondContact O-N 2.82Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.83Å; L64-N68 PolarHBondContact O-N 2.8Å; L64-N68 PolarHBondContact O-ND2 2.86Å |
| 65 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -56.3 | 173.6 | 178.9 | 166.9 | 0 | 0 | 0 | 110.9 | Q61 Y62 C67 N68 V69 G159 Y160 L174 L262 | Q61-L65 WeakPolarHBondContact O-CB 3.4Å; Q61-L65 PolarHBondContact O-N 3.47Å; Y62-L65 WeakPolarHBondContact O-CB 3.43Å; Y62-L65 PolarHBondContact O-N 3.2Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 3.02Å; L65-N68 PolarHBondContact O-N 2.81Å; L65-N68 VanDerWaalsContact O-N 3.1Å; L65-V69 HydrophobicContact CD2-CB 4.37Å; L65-V69 HydrophobicContact CD2-CG2 3.79Å; L65-V69 HydrophobicContact CG-CG2 4.16Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 2.88Å; L65-G159 WeakPolarHBondContact CD1-O 3.46Å; L65-Y160 WeakPolarHBondContact CA-OH 3.29Å; L65-Y160 HydrophobicContact CB-CD2 4.3Å; L65-Y160 HydrophobicContact CB-CE1 4.49Å; L65-Y160 HydrophobicContact CB-CE2 3.82Å; L65-Y160 HydrophobicContact CD1-CD2 4.04Å; L65-Y160 HydrophobicContact CD1-CE2 4.32Å; L65-Y160 HydrophobicContact CG-CD1 4.39Å; L65-Y160 HydrophobicContact CG-CD2 3.95Å; L65-Y160 HydrophobicContact CG-CE1 4.46Å; L65-Y160 HydrophobicContact CG-CE2 3.99Å; L65-Y160 HydrophobicContact CG-CG 4.16Å; L65-L174 HydrophobicContact CD2-CD1 3.56Å; L65-L262 HydrophobicContact CD1-CD1 3.75Å |
| 66 | R | 97.8 | Very high | 94 | Very high | 65 Ų | 65 | 29.9 Ų | 29.9 | 25% | 0.245 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.9 | -50.5 | -179.1 | 177.6 | 172.5 | 85.8 | 90.8 | -2 | 112.1 | Y62 N68 V69 D70 L174 P175 | Y62-R66 HydrophobicContact CE1-CB 4.45Å; Y62-R66 WeakPolarHBondContact O-CB 3.5Å; Y62-R66 PolarHBondContact O-N 3.28Å; R66-N68 PolarHBondContact O-N 3.1Å; R66-V69 PolarHBondContact O-N 3.42Å; R66-D70 WeakPolarHBondContact CG-OD2 3.37Å; R66-D70 WeakPolarHBondContact O-CB 3.49Å; R66-D70 VanDerWaalsContact O-CG 3.27Å; R66-D70 PolarHBondContact O-N 2.94Å; R66-L174 HydrophobicContact CG-CB 4.07Å; R66-P175 WeakPolarHBondContact CD-O 3.45Å |
| 67 | C | 96.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 27 Ų | 27 | 27% | 0.27 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -55.5 | -38.4 | -179 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | Q63 L65 L71 | Q63-C67 WeakPolarHBondContact O-CB 3.31Å; Q63-C67 PolarHBondContact O-N 2.77Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 3.02Å; C67-L71 WeakPolarHBondContact O-CB 2.89Å |
| 68 | N | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -87.7 | -41.3 | -177.1 | -73 | -83.2 | 0 | 0 | 0 | 112.2 | V46 V47 A48 L64 L65 R66 D70 L71 L72 Y160 | V46-N68 WeakPolarHBondContact CA-OD1 3.21Å; V46-N68 HydrophobicContact CG2-CB 4.36Å; V47-N68 PolarHBondContact N-OD1 3.08Å; A48-N68 PolarHBondContact N-OD1 3.37Å; A48-N68 PolarHBondContact O-ND2 2.93Å; A48-N68 PolarHBondContact O-OD1 3.48Å; L64-N68 PolarHBondContact O-N 2.8Å; L64-N68 PolarHBondContact O-ND2 2.86Å; L65-N68 PolarHBondContact O-N 2.81Å; L65-N68 VanDerWaalsContact O-N 3.1Å; R66-N68 PolarHBondContact O-N 3.1Å; N68-D70 VanDerWaalsContact C-N 3.32Å; N68-D70 PolarHBondContact O-N 2.9Å; N68-L71 PolarHBondContact O-N 3.44Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.3Å; N68-L72 WeakPolarHBondContact O-CB 3.5Å; N68-L72 WeakPolarHBondContact O-CG 3.46Å; N68-L72 PolarHBondContact O-N 3.44Å; N68-Y160 HydrophobicContact CB-CE1 4.1Å |
| 69 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L65 R66 L71 Y160 Y164 K167 L174 | L65-V69 HydrophobicContact CD2-CB 4.37Å; L65-V69 HydrophobicContact CD2-CG2 3.79Å; L65-V69 HydrophobicContact CG-CG2 4.16Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 2.88Å; R66-V69 PolarHBondContact O-N 3.42Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 2.96Å; V69-Y160 HydrophobicContact CG2-CD1 3.83Å; V69-Y160 HydrophobicContact CG2-CE1 4.34Å; V69-Y164 HydrophobicContact CG1-CD1 4.13Å; V69-Y164 HydrophobicContact CG1-CE1 4.35Å; V69-Y164 HydrophobicContact CG1-CG 4.29Å; V69-Y164 HydrophobicContact CG2-CD2 4.24Å; V69-Y164 HydrophobicContact CG2-CE2 4.04Å; V69-K167 HydrophobicContact CG1-CB 4.13Å; V69-K167 HydrophobicContact CG1-CD 3.97Å; V69-K167 VanDerWaalsContact O-CD 3.23Å; V69-K167 WeakPolarHBondContact O-CD 3.37Å; V69-K167 WeakPolarHBondContact O-CE 3.42Å; V69-K167 PolarHBondContact O-NZ 3.42Å; V69-L174 HydrophobicContact CB-CD1 3.94Å; V69-L174 HydrophobicContact CG1-CD1 3.75Å; V69-L174 HydrophobicContact CG1-CG 4.23Å |
| 70 | D | 98.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 20.1 Ų | 20.1 | 16% | 0.155 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 177 | -71.4 | -15.1 | 0 | 0 | 0 | 111.6 | R66 N68 K167 N173 L174 | R66-D70 WeakPolarHBondContact CG-OD2 3.37Å; R66-D70 WeakPolarHBondContact O-CB 3.49Å; R66-D70 VanDerWaalsContact O-CG 3.27Å; R66-D70 PolarHBondContact O-N 2.94Å; N68-D70 VanDerWaalsContact C-N 3.32Å; N68-D70 PolarHBondContact O-N 2.9Å; D70-K167 PolarHBondContact O-NZ 3.02Å; D70-N173 WeakPolarHBondContact OD1-CA 3.34Å; D70-L174 PolarHBondContact OD1-N 3Å |
| 71 | L | 97.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 17.4 Ų | 17.4 | 38% | 0.382 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -79.3 | -36.4 | -174.4 | -170.2 | 67.7 | 0 | 0 | 0 | 113.7 | V47 A48 C67 N68 V69 M107 | V47-L71 HydrophobicContact CG2-CD2 3.58Å; A48-L71 HydrophobicContact CB-CD2 4.27Å; C67-L71 WeakPolarHBondContact O-CB 2.89Å; N68-L71 PolarHBondContact O-N 3.44Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 2.96Å; L71-M107 HydrophobicContact CD1-CE 3.29Å; L71-M107 HydrophobicContact CD1-SD 3.88Å; L71-M107 HydrophobicContact CD2-CE 4.37Å; L71-M107 HydrophobicContact CD2-SD 4.13Å; L71-M107 HydrophobicContact CG-CE 3.53Å; L71-M107 HydrophobicContact CG-SD 3.94Å |
| 72 | L | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -101.8 | 162 | -169.5 | -59.9 | 175.5 | 0 | 0 | 0 | 111.9 | P44 G45 V47 N68 M107 Y164 K167 | P44-L72 HydrophobicContact CG-CB 4.04Å; P44-L72 HydrophobicContact CG-CD1 4.26Å; P44-L72 HydrophobicContact CG-CD2 4.19Å; P44-L72 HydrophobicContact CG-CG 4.39Å; G45-L72 WeakPolarHBondContact O-CD1 3.18Å; V47-L72 HydrophobicContact CG1-CD1 4.44Å; V47-L72 HydrophobicContact CG1-CD2 4.25Å; V47-L72 HydrophobicContact CG2-CD1 4.27Å; V47-L72 HydrophobicContact CG2-CD2 3.85Å; V47-L72 HydrophobicContact CG2-CG 4.31Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.3Å; N68-L72 WeakPolarHBondContact O-CB 3.5Å; N68-L72 WeakPolarHBondContact O-CG 3.46Å; N68-L72 PolarHBondContact O-N 3.44Å; L72-M107 HydrophobicContact CD2-CB 3.77Å; L72-M107 WeakPolarHBondContact CD2-O 2.84Å; L72-Y164 WeakPolarHBondContact CB-OH 3.39Å; L72-K167 PolarHBondContact O-NZ 3.36Å |
| 73 | K | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 17.8 Ų | 17.8 | 42% | 0.422 | 9% | 0.087 | S | C | . | . | trans | -107.1 | 141.6 | 176.2 | -67.6 | -176.3 | -176.3 | 169 | 0 | 110.3 | P44 F101 D106 | P44-K73 WeakPolarHBondContact CD-O 3.4Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.96Å; K73-D106 WeakPolarHBondContact CD-OD1 3.44Å; K73-D106 WeakPolarHBondContact CE-OD1 3.4Å; K73-D106 IonicContact NZ-OD1 2.92Å; K73-D106 PolarHBondContact NZ-OD1 3.01Å; K73-D106 IonicContact NZ-OD2 2.88Å | ||
| 74 | I | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | trans | -64.5 | 149.2 | 170.5 | -169.1 | 167.3 | 0 | 0 | 0 | 110.4 | T41 Q76 L77 F99 T133 Y164 I168 | T41-I74 HydrophobicContact CG2-CD1 3.9Å; I74-Q76 WeakPolarHBondContact CD1-O 3.3Å; I74-Q76 WeakPolarHBondContact CG1-O 3.41Å; I74-L77 HydrophobicContact CD1-CB 4.31Å; I74-F99 HydrophobicContact CB-CD2 4.39Å; I74-F99 HydrophobicContact CD1-CD2 4.21Å; I74-F99 HydrophobicContact CD1-CE2 3.88Å; I74-F99 HydrophobicContact CG1-CD2 4.01Å; I74-F99 HydrophobicContact CG1-CE2 4.21Å; I74-F99 HydrophobicContact CG2-CB 4.19Å; I74-F99 HydrophobicContact CG2-CD2 3.6Å; I74-F99 HydrophobicContact CG2-CE2 4.08Å; I74-F99 HydrophobicContact CG2-CG 3.88Å; I74-T133 HydrophobicContact CG2-CG2 3.78Å; I74-Y164 HydrophobicContact CB-CD1 3.89Å; I74-Y164 HydrophobicContact CB-CE1 4.34Å; I74-Y164 HydrophobicContact CB-CG 4.29Å; I74-I168 HydrophobicContact CB-CD1 4.44Å; I74-I168 HydrophobicContact CD1-CD1 4.2Å; I74-I168 HydrophobicContact CG2-CD1 3.75Å | ||
| 75 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -110.6 | -48.8 | 177.6 | -60.8 | 165.9 | 0 | 0 | 0 | 110.3 | E42 P44 F99 F101 I113 L116 I121 F123 H126 | E42-I75 WeakPolarHBondContact O-CA 3.19Å; E42-I75 WeakPolarHBondContact O-CB 3.27Å; E42-I75 PolarHBondContact O-N 3.32Å; P44-I75 HydrophobicContact CB-CD1 4.15Å; I75-F99 PolarHBondContact O-N 3.25Å; I75-F101 HydrophobicContact CD1-CD2 4.47Å; I75-F101 HydrophobicContact CD1-CE2 4.33Å; I75-F101 HydrophobicContact CD1-CZ 4.38Å; I75-F101 HydrophobicContact CG1-CD1 4.46Å; I75-F101 HydrophobicContact CG1-CD2 3.7Å; I75-F101 HydrophobicContact CG1-CE2 3.95Å; I75-F101 HydrophobicContact CG1-CG 3.98Å; I75-F101 HydrophobicContact CG1-CZ 4.45Å; I75-I113 HydrophobicContact CD1-CD1 4.36Å; I75-L116 HydrophobicContact CD1-CD1 3.58Å; I75-I121 HydrophobicContact CG2-CG2 4.2Å; I75-F123 HydrophobicContact CD1-CE1 3.94Å; I75-F123 HydrophobicContact CD1-CZ 4.3Å; I75-F123 HydrophobicContact CG2-CE1 4.33Å; I75-H126 PolarHBondContact O-CE1 2.79Å; I75-H126 VanDerWaalsContact O-CE1 3.24Å; I75-H126 PolarHBondContact O-ND1 2.92Å | ||
| 76 | Q | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.2 | 174.8 | -65.8 | -174.4 | -35.1 | 0 | 0 | 113.1 | T41 E42 I74 Q96 F97 N98 I121 A227 | T41-Q76 WeakPolarHBondContact CA-O 3.44Å; T41-Q76 WeakPolarHBondContact CB-O 3.45Å; E42-Q76 HydrophobicContact CB-CB 4.04Å; E42-Q76 HydrophobicContact CG-CB 4.3Å; E42-Q76 PolarHBondContact N-O 2.88Å; E42-Q76 PolarHBondContact O-N 2.97Å; I74-Q76 WeakPolarHBondContact CD1-O 3.3Å; I74-Q76 WeakPolarHBondContact CG1-O 3.41Å; Q76-Q96 VanDerWaalsContact NE2-CD 3.29Å; Q76-F97 VanDerWaalsContact CA-O 3.22Å; Q76-F97 WeakPolarHBondContact CA-O 3.41Å; Q76-N98 PolarHBondContact NE2-OD1 3.45Å; Q76-I121 HydrophobicContact CG-CD1 4.07Å; Q76-I121 VanDerWaalsContact NE2-CD1 3.26Å; Q76-A227 HydrophobicContact CB-CB 3.77Å |
| 77 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.8 | 164.8 | 168.5 | 71.5 | 0 | 0 | 0 | 108.4 | M39 T41 I74 L79 F97 F99 F136 L165 | M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.85Å; T41-L77 HydrophobicContact CG2-CD1 3.72Å; I74-L77 HydrophobicContact CD1-CB 4.31Å; L77-L79 HydrophobicContact CD1-CD2 3.98Å; L77-L79 HydrophobicContact CD1-CG 4.47Å; L77-L79 HydrophobicContact CD2-CD1 4.28Å; L77-L79 HydrophobicContact CD2-CD2 4.31Å; L77-L79 HydrophobicContact CD2-CG 4.18Å; L77-L79 HydrophobicContact CG-CD2 4.17Å; L77-L79 HydrophobicContact CG-CG 4.12Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CB-CD2 4.45Å; L77-F97 HydrophobicContact CD2-CD2 4.18Å; L77-F97 HydrophobicContact CG-CD2 4.28Å; L77-F97 PolarHBondContact N-O 3.32Å; L77-F97 WeakPolarHBondContact O-CD2 3.49Å; L77-F97 PolarHBondContact O-N 2.76Å; L77-F99 HydrophobicContact CB-CE2 3.58Å; L77-F99 HydrophobicContact CB-CZ 4.09Å; L77-F99 HydrophobicContact CD2-CZ 4.45Å; L77-F136 HydrophobicContact CD2-CE1 3.92Å; L77-F136 HydrophobicContact CD2-CE2 4.28Å; L77-F136 HydrophobicContact CD2-CZ 3.43Å; L77-F136 VanDerWaalsContact CD2-CZ 3.43Å; L77-L165 HydrophobicContact CD1-CD2 4.1Å; L77-L165 HydrophobicContact CD2-CD2 3.93Å |
| 78 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M39 D40 W95 A227 S231 | M39-G78 VanDerWaalsContact CA-O 3.28Å; M39-G78 WeakPolarHBondContact CA-O 3.46Å; D40-G78 PolarHBondContact N-O 3.39Å; D40-G78 PolarHBondContact O-N 2.81Å; G78-W95 WeakPolarHBondContact CA-O 3.44Å; G78-A227 WeakPolarHBondContact CA-O 3.49Å; G78-S231 WeakPolarHBondContact O-CB 3.47Å |
| 79 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 117.8 | 172.8 | -61.4 | -177.5 | 0 | 0 | 0 | 109.8 | I37 A38 M39 L77 F81 T94 W95 F97 W153 | I37-L79 HydrophobicContact CG2-CB 4.32Å; I37-L79 HydrophobicContact CG2-CD2 3.92Å; A38-L79 WeakPolarHBondContact O-CA 3.27Å; M39-L79 HydrophobicContact CB-CD2 3.84Å; M39-L79 HydrophobicContact CG-CD2 3.58Å; L77-L79 HydrophobicContact CD1-CD2 3.98Å; L77-L79 HydrophobicContact CD1-CG 4.47Å; L77-L79 HydrophobicContact CD2-CD1 4.28Å; L77-L79 HydrophobicContact CD2-CD2 4.31Å; L77-L79 HydrophobicContact CD2-CG 4.18Å; L77-L79 HydrophobicContact CG-CD2 4.17Å; L77-L79 HydrophobicContact CG-CG 4.12Å; L79-F81 HydrophobicContact CB-CE2 3.82Å; L79-F81 HydrophobicContact CB-CZ 4.26Å; L79-F81 HydrophobicContact CD1-CZ 4.45Å; L79-T94 CarbonylContact O-C 3.39Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.44Å; L79-W95 PolarHBondContact N-O 2.88Å; L79-W95 PolarHBondContact O-N 2.79Å; L79-F97 HydrophobicContact CB-CE2 4.32Å; L79-F97 HydrophobicContact CD1-CE2 3.8Å; L79-F97 HydrophobicContact CG-CE2 4.02Å; L79-W153 HydrophobicContact CD2-CH2 4.01Å; L79-W153 HydrophobicContact CD2-CZ3 3.74Å |
| 80 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.6 | 175 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | I37 A38 M82 Y88 S93 T94 S231 L232 | I37-T80 CarbonylContact C-O 3.48Å; I37-T80 WeakPolarHBondContact CA-O 3.02Å; A38-T80 PolarHBondContact N-O 3.13Å; A38-T80 PolarHBondContact O-N 3.19Å; T80-M82 HydrophobicContact CG2-CE 4.29Å; T80-M82 HydrophobicContact CG2-CG 4.39Å; T80-M82 HydrophobicContact CG2-SD 4.42Å; T80-Y88 HydrophobicContact CG2-CD1 4.33Å; T80-Y88 HydrophobicContact CG2-CE1 4.01Å; T80-S93 WeakPolarHBondContact CA-O 3.22Å; T80-T94 WeakPolarHBondContact OG1-CB 3.36Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.35Å; T80-T94 PolarHBondContact OG1-OG1 3.33Å; T80-S231 PolarHBondContact OG1-OG 3.41Å; T80-L232 HydrophobicContact CG2-CB 4.44Å; T80-L232 HydrophobicContact CG2-CD1 3.67Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.47Å; T80-L232 PolarHBondContact OG1-N 3.05Å |
| 81 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.3 | -177.1 | -64 | -99.5 | 0 | 0 | 0 | 111.4 | I27 V30 I31 Y36 I37 L79 P89 S93 W95 V145 | I27-F81 HydrophobicContact CB-CZ 4.41Å; I27-F81 HydrophobicContact CD1-CE2 4.33Å; I27-F81 HydrophobicContact CD1-CZ 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.04Å; I27-F81 HydrophobicContact CG1-CZ 4.13Å; I27-F81 HydrophobicContact CG2-CE1 3.98Å; I27-F81 HydrophobicContact CG2-CE2 4.28Å; I27-F81 HydrophobicContact CG2-CZ 3.51Å; V30-F81 HydrophobicContact CG1-CB 3.58Å; V30-F81 HydrophobicContact CG1-CD1 4.03Å; V30-F81 HydrophobicContact CG1-CD2 4.5Å; V30-F81 HydrophobicContact CG1-CG 3.79Å; I31-F81 HydrophobicContact CB-CE1 4.41Å; I31-F81 HydrophobicContact CD1-CD1 4.23Å; I31-F81 HydrophobicContact CD1-CE1 4.06Å; Y36-F81 CarbonylContact O-C 3.56Å; Y36-F81 WeakPolarHBondContact O-CA 3.45Å; I37-F81 HydrophobicContact CD1-CD1 4.38Å; I37-F81 HydrophobicContact CD1-CE1 3.81Å; I37-F81 HydrophobicContact CG1-CD1 4Å; I37-F81 HydrophobicContact CG1-CE1 3.92Å; L79-F81 HydrophobicContact CB-CE2 3.82Å; L79-F81 HydrophobicContact CB-CZ 4.26Å; L79-F81 HydrophobicContact CD1-CZ 4.45Å; F81-P89 WeakPolarHBondContact O-CD 3.39Å; F81-S93 PolarHBondContact N-O 3.21Å; F81-W95 AromaticContact CD2-CE3 3.52Å; F81-W95 HydrophobicContact CD2-CE3 3.52Å; F81-W95 AromaticContact CD2-CZ3 3.41Å; F81-W95 HydrophobicContact CD2-CZ3 3.41Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.41Å; F81-W95 AromaticContact CE2-CE3 3.58Å; F81-W95 HydrophobicContact CE2-CE3 3.58Å; F81-W95 AromaticContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CG-CZ3 4.29Å; F81-V145 HydrophobicContact CE1-CG2 4.19Å; F81-V145 HydrophobicContact CZ-CG2 4.34Å |
| 82 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 165.5 | 178.1 | -63.3 | 160.3 | -68.6 | 0 | 0 | 110.4 | Y34 N35 Y36 A38 T80 E87 Y88 L154 F239 | Y34-M82 CarbonylContact C-O 2.99Å; Y34-M82 WeakPolarHBondContact CA-O 3.39Å; Y34-M82 WeakPolarHBondContact CB-O 3.13Å; N35-M82 PolarHBondContact N-O 3.25Å; N35-M82 VanDerWaalsContact N-O 3.14Å; Y36-M82 WeakPolarHBondContact CB-O 3.3Å; Y36-M82 PolarHBondContact N-O 3.27Å; Y36-M82 PolarHBondContact O-N 3.12Å; A38-M82 HydrophobicContact CB-CE 3.57Å; T80-M82 HydrophobicContact CG2-CE 4.29Å; T80-M82 HydrophobicContact CG2-CG 4.39Å; T80-M82 HydrophobicContact CG2-SD 4.42Å; M82-E87 CarbonylContact C-O 3.54Å; M82-E87 WeakPolarHBondContact CA-O 3.08Å; M82-Y88 HydrophobicContact CG-CD1 3.63Å; M82-Y88 HydrophobicContact CG-CE1 3.55Å; M82-Y88 HydrophobicContact CG-CG 4.48Å; M82-Y88 HydrophobicContact SD-CD1 4.49Å; M82-Y88 HydrophobicContact SD-CE1 3.8Å; M82-L154 HydrophobicContact CE-CD1 3.66Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.38Å; M82-F239 HydrophobicContact CE-CD2 4.38Å; M82-F239 HydrophobicContact CE-CE2 3.9Å; M82-F239 HydrophobicContact CG-CE2 4.28Å; M82-F239 HydrophobicContact SD-CD2 3.69Å; M82-F239 HydrophobicContact SD-CE2 3.53Å; M82-F239 VanDerWaalsContact SD-CE2 3.53Å |
| 83 | N | 98.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -101.2 | -177.2 | 170.8 | 69.7 | 10.6 | 0 | 0 | 0 | 111.3 | Y34 Q85 G86 E87 F239 | Y34-N83 HydrophobicContact CD1-CB 3.88Å; Y34-N83 HydrophobicContact CE1-CB 4.27Å; N83-Q85 PolarHBondContact O-N 2.9Å; N83-Q85 VanDerWaalsContact O-N 3.12Å; N83-Q85 PolarHBondContact OD1-N 3.04Å; N83-G86 PolarHBondContact O-N 2.92Å; N83-G86 PolarHBondContact OD1-N 2.99Å; N83-E87 PolarHBondContact N-O 2.82Å; N83-E87 PolarHBondContact ND2-OE2 3.21Å; N83-E87 WeakPolarHBondContact OD1-CB 3.45Å; N83-E87 PolarHBondContact OD1-N 2.86Å; N83-F239 WeakPolarHBondContact O-CZ 3.2Å | ||
| 84 | E | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 28.8 Ų | 28.8 | 30% | 0.304 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.6 | 180 | -176.9 | 63.6 | -120.3 | 0 | 0 | 113.8 | Y36 K152 R242 | Y36-E84 HydrophobicContact CE2-CB 4.12Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.27Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.49Å; Y36-E84 VanDerWaalsContact OH-CD 3.25Å; Y36-E84 PolarHBondContact OH-OE1 2.83Å; Y36-E84 PolarHBondContact OH-OE2 3.47Å; E84-K152 IonicContact OE2-NZ 3.97Å; E84-K152 PolarHBondContact OE2-NZ 3.41Å; E84-R242 PolarHBondContact O-NH1 3.38Å; E84-R242 PolarHBondContact O-NH2 2.85Å; E84-R242 IonicContact OE1-NH1 2.88Å; E84-R242 PolarHBondContact OE1-NH1 2.81Å |
| 85 | Q | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 28.8 Ų | 28.8 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.2 | 178.2 | -66.8 | 70.5 | 40.6 | 0 | 0 | 112.8 | N83 E87 | N83-Q85 PolarHBondContact O-N 2.9Å; N83-Q85 VanDerWaalsContact O-N 3.12Å; N83-Q85 PolarHBondContact OD1-N 3.04Å; Q85-E87 VanDerWaalsContact C-N 3.27Å; Q85-E87 HydrophobicContact CB-CG 4.01Å |
| 86 | G | 97.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 17% | 0.165 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 75.8 | 14.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N83 F239 | N83-G86 PolarHBondContact O-N 2.92Å; N83-G86 PolarHBondContact OD1-N 2.99Å; G86-F239 VanDerWaalsContact N-CE1 3.34Å |
| 87 | E | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 28.7 Ų | 28.7 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -81.4 | 149.8 | 175.6 | -51.9 | 170.8 | 159.4 | 0 | 0 | 110.5 | Y34 M82 N83 Q85 | Y34-E87 WeakPolarHBondContact CD1-O 3.43Å; M82-E87 CarbonylContact C-O 3.54Å; M82-E87 WeakPolarHBondContact CA-O 3.08Å; N83-E87 PolarHBondContact N-O 2.82Å; N83-E87 PolarHBondContact ND2-OE2 3.21Å; N83-E87 WeakPolarHBondContact OD1-CB 3.45Å; N83-E87 PolarHBondContact OD1-N 2.86Å; Q85-E87 VanDerWaalsContact C-N 3.27Å; Q85-E87 HydrophobicContact CB-CG 4.01Å |
| 88 | Y | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 24% | 0.235 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -100 | 154.9 | -177.8 | -56.9 | -87.3 | 0 | 0 | 0 | 111.7 | R11 Y34 T80 M82 L232 M236 | R11-Y88 VanDerWaalsContact NH2-CD1 3.29Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.28Å; Y34-Y88 PolarHBondContact OH-O 3.18Å; T80-Y88 HydrophobicContact CG2-CD1 4.33Å; T80-Y88 HydrophobicContact CG2-CE1 4.01Å; M82-Y88 HydrophobicContact CG-CD1 3.63Å; M82-Y88 HydrophobicContact CG-CE1 3.55Å; M82-Y88 HydrophobicContact CG-CG 4.48Å; M82-Y88 HydrophobicContact SD-CD1 4.49Å; M82-Y88 HydrophobicContact SD-CE1 3.8Å; Y88-L232 HydrophobicContact CD1-CD1 4.4Å; Y88-L232 HydrophobicContact CE1-CD1 3.53Å; Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.38Å |
| 89 | P | 97.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 150.4 | 168.3 | 28.9 | -36.6 | 0 | 0 | 0 | 111.2 | V30 Y34 F81 G91 T92 | V30-P89 HydrophobicContact CG1-CB 4.17Å; V30-P89 HydrophobicContact CG1-CG 4.01Å; V30-P89 HydrophobicContact CG2-CB 4.4Å; Y34-P89 HydrophobicContact CD2-CB 3.86Å; Y34-P89 HydrophobicContact CE1-CB 4.35Å; Y34-P89 VanDerWaalsContact CE1-N 3.31Å; Y34-P89 HydrophobicContact CE2-CB 3.67Å; Y34-P89 HydrophobicContact CG-CB 4.29Å; F81-P89 WeakPolarHBondContact O-CD 3.39Å; P89-G91 PolarHBondContact O-N 3.49Å; P89-T92 WeakPolarHBondContact CG-O 3.28Å |
| 90 | P | 94.3 | Very high | 98.1 | Very high | 119 Ų | 119 | 32.8 Ų | 32.8 | 77% | 0.773 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -65.2 | 132.5 | 176.1 | 27.4 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 91 | G | 94.9 | Very high | 98.1 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 43% | 0.433 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 85.7 | -123.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | P89 S93 | P89-G91 PolarHBondContact O-N 3.49Å; G91-S93 PolarHBondContact O-N 2.81Å |
| 92 | T | 97.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 34 Ų | 34 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | trans | -69.9 | 123.3 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | Q10 C13 P89 T94 W95 | Q10-T92 VanDerWaalsContact O-CA 3.28Å; Q10-T92 WeakPolarHBondContact O-CA 3.17Å; Q10-T92 PolarHBondContact O-N 3.23Å; Q10-T92 PolarHBondContact O-OG1 2.76Å; C13-T92 HydrophobicContact CB-CG2 3.46Å; C13-T92 VanDerWaalsContact CB-CG2 3.46Å; P89-T92 WeakPolarHBondContact CG-O 3.28Å; T92-T94 WeakPolarHBondContact CG2-O 3.39Å; T92-W95 HydrophobicContact CG2-CD2 4.04Å; T92-W95 HydrophobicContact CG2-CE3 4.33Å; T92-W95 HydrophobicContact CG2-CH2 3.98Å; T92-W95 HydrophobicContact CG2-CZ2 3.67Å; T92-W95 HydrophobicContact CG2-CZ3 4.3Å; T92-W95 WeakPolarHBondContact O-CH2 3.4Å | ||
| 93 | S | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -106.8 | -19.3 | 172.6 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | R11 T80 F81 G91 | R11-S93 WeakPolarHBondContact CD-OG 3.2Å; R11-S93 PolarHBondContact NE-OG 2.78Å; R11-S93 PolarHBondContact O-N 2.93Å; R11-S93 VanDerWaalsContact O-N 3.13Å; T80-S93 WeakPolarHBondContact CA-O 3.22Å; F81-S93 PolarHBondContact N-O 3.21Å; G91-S93 PolarHBondContact O-N 2.81Å | ||
| 94 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.7 | -166.8 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | R11 I12 C13 L79 T80 T92 G228 L232 | R11-T94 PolarHBondContact O-N 2.9Å; I12-T94 CarbonylContact C-O 3.52Å; I12-T94 WeakPolarHBondContact CA-O 3.29Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 4Å; I12-T94 HydrophobicContact CG2-CG2 4.17Å; C13-T94 PolarHBondContact N-O 3.32Å; L79-T94 CarbonylContact O-C 3.39Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.44Å; T80-T94 WeakPolarHBondContact OG1-CB 3.36Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.35Å; T80-T94 PolarHBondContact OG1-OG1 3.33Å; T92-T94 WeakPolarHBondContact CG2-O 3.39Å; T94-G228 WeakPolarHBondContact CG2-O 3.35Å; T94-L232 HydrophobicContact CG2-CB 4.5Å |
| 95 | W | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.2 | 175.4 | -73.3 | -95.2 | 0 | 0 | 0 | 109.3 | C13 V15 E23 R26 I27 V30 G78 L79 F81 T92 F97 | C13-W95 WeakPolarHBondContact O-CA 3.27Å; V15-W95 HydrophobicContact CG2-CB 4.06Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; E23-W95 PolarHBondContact OE2-NE1 2.92Å; R26-W95 HydrophobicContact CB-CZ2 4.46Å; I27-W95 HydrophobicContact CD1-CB 4.24Å; I27-W95 HydrophobicContact CD1-CD2 3.79Å; I27-W95 HydrophobicContact CD1-CE3 4.28Å; I27-W95 HydrophobicContact CD1-CG 3.76Å; I27-W95 HydrophobicContact CG1-CD2 3.77Å; I27-W95 HydrophobicContact CG1-CE3 4Å; I27-W95 HydrophobicContact CG1-CG 4.28Å; I27-W95 HydrophobicContact CG1-CH2 4.36Å; I27-W95 HydrophobicContact CG1-CZ2 4.12Å; I27-W95 HydrophobicContact CG1-CZ3 4.29Å; V30-W95 HydrophobicContact CG2-CH2 4.05Å; G78-W95 WeakPolarHBondContact CA-O 3.44Å; L79-W95 PolarHBondContact N-O 2.88Å; L79-W95 PolarHBondContact O-N 2.79Å; F81-W95 AromaticContact CD2-CE3 3.52Å; F81-W95 HydrophobicContact CD2-CE3 3.52Å; F81-W95 AromaticContact CD2-CZ3 3.41Å; F81-W95 HydrophobicContact CD2-CZ3 3.41Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.41Å; F81-W95 AromaticContact CE2-CE3 3.58Å; F81-W95 HydrophobicContact CE2-CE3 3.58Å; F81-W95 AromaticContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CG-CZ3 4.29Å; T92-W95 HydrophobicContact CG2-CD2 4.04Å; T92-W95 HydrophobicContact CG2-CE3 4.33Å; T92-W95 HydrophobicContact CG2-CH2 3.98Å; T92-W95 HydrophobicContact CG2-CZ2 3.67Å; T92-W95 HydrophobicContact CG2-CZ3 4.3Å; T92-W95 WeakPolarHBondContact O-CH2 3.4Å; W95-F97 HydrophobicContact CB-CD2 4.44Å; W95-F97 HydrophobicContact CB-CE2 3.72Å; W95-F97 HydrophobicContact CB-CZ 3.9Å |
| 96 | Q | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 104.5 | 174.6 | -179.9 | 161.6 | -75.7 | 0 | 0 | 108.6 | I12 C13 E14 V15 Q76 N98 | I12-Q96 HydrophobicContact CG2-CB 4.13Å; C13-Q96 PolarHBondContact O-N 2.9Å; E14-Q96 PolarHBondContact OE1-NE2 2.97Å; E14-Q96 PolarHBondContact OE2-NE2 2.97Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.08Å; V15-Q96 PolarHBondContact N-O 3.06Å; Q76-Q96 VanDerWaalsContact NE2-CD 3.29Å; Q96-N98 PolarHBondContact O-ND2 2.83Å |
| 97 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122 | 177.3 | -60.5 | -85.6 | 0 | 0 | 0 | 109.7 | V15 L20 L24 I27 Q76 L77 L79 W95 F99 I131 F136 | V15-F97 HydrophobicContact CB-CD1 3.71Å; V15-F97 HydrophobicContact CB-CE1 4.05Å; V15-F97 HydrophobicContact CB-CG 4.38Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.88Å; V15-F97 HydrophobicContact CG2-CD1 4.05Å; V15-F97 HydrophobicContact CG2-CE1 3.97Å; V15-F97 HydrophobicContact CG2-CZ 4.48Å; L20-F97 HydrophobicContact CD1-CD1 4.02Å; L20-F97 HydrophobicContact CD1-CE1 3.91Å; L24-F97 HydrophobicContact CD2-CE1 3.53Å; L24-F97 HydrophobicContact CD2-CZ 3.73Å; I27-F97 HydrophobicContact CD1-CE2 4.44Å; I27-F97 HydrophobicContact CD1-CZ 3.63Å; Q76-F97 VanDerWaalsContact CA-O 3.22Å; Q76-F97 WeakPolarHBondContact CA-O 3.41Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CB-CD2 4.45Å; L77-F97 HydrophobicContact CD2-CD2 4.18Å; L77-F97 HydrophobicContact CG-CD2 4.28Å; L77-F97 PolarHBondContact N-O 3.32Å; L77-F97 WeakPolarHBondContact O-CD2 3.49Å; L77-F97 PolarHBondContact O-N 2.76Å; L79-F97 HydrophobicContact CB-CE2 4.32Å; L79-F97 HydrophobicContact CD1-CE2 3.8Å; L79-F97 HydrophobicContact CG-CE2 4.02Å; W95-F97 HydrophobicContact CB-CD2 4.44Å; W95-F97 HydrophobicContact CB-CE2 3.72Å; W95-F97 HydrophobicContact CB-CZ 3.9Å; F97-F99 HydrophobicContact CB-CE2 4.11Å; F97-F99 HydrophobicContact CB-CZ 3.93Å; F97-I131 HydrophobicContact CB-CD1 4.02Å; F97-I131 HydrophobicContact CD1-CD1 3.94Å; F97-F136 AromaticContact CD1-CD2 3.97Å; F97-F136 HydrophobicContact CD1-CD2 3.97Å; F97-F136 AromaticContact CD1-CE2 3.71Å; F97-F136 HydrophobicContact CD1-CE2 3.71Å; F97-F136 HydrophobicContact CD2-CE2 4.15Å; F97-F136 HydrophobicContact CE1-CD2 4.22Å; F97-F136 AromaticContact CE1-CE2 3.77Å; F97-F136 HydrophobicContact CE1-CE2 3.77Å; F97-F136 HydrophobicContact CE2-CE2 4.21Å; F97-F136 HydrophobicContact CG-CD2 4.41Å; F97-F136 AromaticContact CG-CE2 3.9Å; F97-F136 HydrophobicContact CG-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CE2 4.02Å |
| 98 | N | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.3 | 179.9 | -62 | -75.1 | 0 | 0 | 0 | 109.7 | E14 V15 W16 Q76 Q96 G130 I131 | E14-N98 PolarHBondContact OE2-ND2 3.17Å; V15-N98 WeakPolarHBondContact O-CB 3.39Å; V15-N98 PolarHBondContact O-N 2.92Å; V15-N98 PolarHBondContact O-ND2 2.92Å; W16-N98 HydrophobicContact CD2-CB 3.83Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.46Å; W16-N98 VanDerWaalsContact CH2-CB 3.46Å; W16-N98 HydrophobicContact CZ2-CB 3.76Å; W16-N98 VanDerWaalsContact CZ2-CG 3.4Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; Q76-N98 PolarHBondContact NE2-OD1 3.45Å; Q96-N98 PolarHBondContact O-ND2 2.83Å; N98-G130 WeakPolarHBondContact O-CA 3.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.07Å; N98-I131 PolarHBondContact O-N 3.43Å |
| 99 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 155.6 | -174.8 | -64.1 | -72.1 | 0 | 0 | 0 | 113 | I74 I75 L77 F97 F101 H126 I131 T133 F136 | I74-F99 HydrophobicContact CB-CD2 4.39Å; I74-F99 HydrophobicContact CD1-CD2 4.21Å; I74-F99 HydrophobicContact CD1-CE2 3.88Å; I74-F99 HydrophobicContact CG1-CD2 4.01Å; I74-F99 HydrophobicContact CG1-CE2 4.21Å; I74-F99 HydrophobicContact CG2-CB 4.19Å; I74-F99 HydrophobicContact CG2-CD2 3.6Å; I74-F99 HydrophobicContact CG2-CE2 4.08Å; I74-F99 HydrophobicContact CG2-CG 3.88Å; I75-F99 PolarHBondContact O-N 3.25Å; L77-F99 HydrophobicContact CB-CE2 3.58Å; L77-F99 HydrophobicContact CB-CZ 4.09Å; L77-F99 HydrophobicContact CD2-CZ 4.45Å; F97-F99 HydrophobicContact CB-CE2 4.11Å; F97-F99 HydrophobicContact CB-CZ 3.93Å; F99-F101 PolarHBondContact O-N 3.03Å; F99-H126 PolarHBondContact O-ND1 3.32Å; F99-I131 WeakPolarHBondContact CA-O 3.31Å; F99-I131 HydrophobicContact CD1-CB 3.86Å; F99-I131 HydrophobicContact CD1-CG2 3.93Å; F99-I131 HydrophobicContact CE1-CB 4.29Å; F99-I131 HydrophobicContact CE1-CG2 3.99Å; F99-T133 HydrophobicContact CB-CG2 4.37Å; F99-T133 HydrophobicContact CD1-CG2 3.71Å; F99-T133 HydrophobicContact CE1-CG2 4.24Å; F99-T133 HydrophobicContact CG-CG2 4.1Å; F99-F136 HydrophobicContact CE1-CB 3.92Å; F99-F136 AromaticContact CE1-CD1 4Å; F99-F136 HydrophobicContact CE1-CD1 4Å; F99-F136 HydrophobicContact CE1-CD2 4.19Å; F99-F136 AromaticContact CE1-CG 3.76Å; F99-F136 HydrophobicContact CE1-CG 3.76Å; F99-F136 HydrophobicContact CZ-CD1 4.05Å; F99-F136 HydrophobicContact CZ-CD2 4.33Å; F99-F136 HydrophobicContact CZ-CE1 4.22Å; F99-F136 HydrophobicContact CZ-CG 4.11Å; F99-F136 HydrophobicContact CZ-CZ 4.46Å |
| 100 | K | 98.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 46.1 Ų | 46.1 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | trans | -64.3 | 124.7 | 177.1 | -165.5 | -178.8 | -171.6 | 93.2 | 0 | 110.9 | H126 E127 I131 E132 | K100-H126 WeakPolarHBondContact CA-O 3.49Å; K100-E127 PolarHBondContact NZ-O 3.5Å; K100-E127 VanDerWaalsContact NZ-O 3.17Å; K100-I131 PolarHBondContact N-O 3.37Å; K100-E132 WeakPolarHBondContact CD-OE1 3.45Å | ||
| 101 | F | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | trans | -147.8 | 136 | -179.4 | -164.8 | -89.9 | 0 | 0 | 0 | 110.3 | P44 K73 I75 F99 L103 D106 I113 F123 H126 E127 | P44-F101 HydrophobicContact CB-CE2 4.49Å; P44-F101 HydrophobicContact CB-CZ 4.08Å; P44-F101 HydrophobicContact CG-CE2 4Å; P44-F101 HydrophobicContact CG-CZ 4.02Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.96Å; I75-F101 HydrophobicContact CD1-CD2 4.47Å; I75-F101 HydrophobicContact CD1-CE2 4.33Å; I75-F101 HydrophobicContact CD1-CZ 4.38Å; I75-F101 HydrophobicContact CG1-CD1 4.46Å; I75-F101 HydrophobicContact CG1-CD2 3.7Å; I75-F101 HydrophobicContact CG1-CE2 3.95Å; I75-F101 HydrophobicContact CG1-CG 3.98Å; I75-F101 HydrophobicContact CG1-CZ 4.45Å; F99-F101 PolarHBondContact O-N 3.03Å; F101-L103 HydrophobicContact CE1-CD2 3.97Å; F101-D106 HydrophobicContact CD2-CB 4.42Å; F101-D106 HydrophobicContact CE1-CB 4.19Å; F101-D106 HydrophobicContact CE2-CB 3.92Å; F101-D106 HydrophobicContact CZ-CB 3.79Å; F101-I113 HydrophobicContact CE1-CD1 4.27Å; F101-F123 AromaticContact CD1-CD1 3.99Å; F101-F123 HydrophobicContact CD1-CD1 3.99Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CE1 4.27Å; F101-H126 HydrophobicContact CB-CB 4.23Å; F101-E127 VanDerWaalsContact O-CA 3.24Å; F101-E127 WeakPolarHBondContact O-CA 3.46Å; F101-E127 PolarHBondContact O-N 2.78Å | ||
| 102 | N | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | trans | -129 | 110.3 | -176.4 | -175.7 | -15.5 | 0 | 0 | 0 | 110.9 | T104 E105 D106 E127 | N102-T104 PolarHBondContact O-N 2.94Å; N102-T104 VanDerWaalsContact OD1-CB 3.29Å; N102-T104 WeakPolarHBondContact OD1-CB 3.24Å; N102-T104 PolarHBondContact OD1-N 3.28Å; N102-T104 PolarHBondContact OD1-OG1 3.1Å; N102-E105 HydrophobicContact CB-CB 4.26Å; N102-E105 PolarHBondContact ND2-OE2 3Å; N102-E105 PolarHBondContact O-N 3.39Å; N102-D106 PolarHBondContact N-OD2 2.97Å; N102-D106 VanDerWaalsContact O-CB 3.31Å; N102-D106 WeakPolarHBondContact O-CB 3.43Å; N102-D106 PolarHBondContact O-N 3.44Å; N102-E127 HydrophobicContact CB-CG 4.22Å | ||
| 103 | L | 98 | Very high | 97.8 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.8 | 178.8 | -69.8 | 171 | 0 | 0 | 0 | 114.5 | F101 Y108 I113 F123 | F101-L103 HydrophobicContact CE1-CD2 3.97Å; L103-Y108 HydrophobicContact CB-CE1 4.46Å; L103-Y108 HydrophobicContact CD2-CD1 4.01Å; L103-Y108 HydrophobicContact CD2-CE1 3.88Å; L103-Y108 WeakPolarHBondContact O-CE1 3.5Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CD1 3.85Å; L103-I113 HydrophobicContact CD2-CG1 3.95Å; L103-I113 HydrophobicContact CD2-CG2 3.77Å; L103-F123 HydrophobicContact CD1-CB 3.72Å; L103-F123 HydrophobicContact CD1-CD1 4.24Å; L103-F123 HydrophobicContact CD1-CD2 4.23Å; L103-F123 HydrophobicContact CD1-CG 3.8Å; L103-F123 HydrophobicContact CD2-CD1 4.24Å; L103-F123 HydrophobicContact CD2-CE1 4.41Å; L103-F123 HydrophobicContact CG-CB 4.3Å; L103-F123 HydrophobicContact CG-CD1 4.14Å; L103-F123 HydrophobicContact CG-CG 4.22Å |
| 104 | T | 97.8 | Very high | 97.8 | Very high | 127 Ų | 127 | 49.2 Ų | 49.2 | 78% | 0.779 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -30.1 | 176.5 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | N102 | N102-T104 PolarHBondContact O-N 2.94Å; N102-T104 VanDerWaalsContact OD1-CB 3.29Å; N102-T104 WeakPolarHBondContact OD1-CB 3.24Å; N102-T104 PolarHBondContact OD1-N 3.28Å; N102-T104 PolarHBondContact OD1-OG1 3.1Å |
| 105 | E | 96.9 | Very high | 97.6 | Very high | 152 Ų | 152 | 52.1 Ų | 52.1 | 71% | 0.71 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -34.2 | -171.4 | -64.6 | -177.1 | 162.3 | 0 | 0 | 112.9 | N102 | N102-E105 HydrophobicContact CB-CB 4.26Å; N102-E105 PolarHBondContact ND2-OE2 3Å; N102-E105 PolarHBondContact O-N 3.39Å |
| 106 | D | 98.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -91.2 | 145.9 | -171 | -62.4 | -38.7 | 0 | 0 | 0 | 111.9 | K73 F101 N102 Y108 | K73-D106 WeakPolarHBondContact CD-OD1 3.44Å; K73-D106 WeakPolarHBondContact CE-OD1 3.4Å; K73-D106 IonicContact NZ-OD1 2.92Å; K73-D106 PolarHBondContact NZ-OD1 3.01Å; K73-D106 IonicContact NZ-OD2 2.88Å; F101-D106 HydrophobicContact CD2-CB 4.42Å; F101-D106 HydrophobicContact CE1-CB 4.19Å; F101-D106 HydrophobicContact CE2-CB 3.92Å; F101-D106 HydrophobicContact CZ-CB 3.79Å; N102-D106 PolarHBondContact N-OD2 2.97Å; N102-D106 VanDerWaalsContact O-CB 3.31Å; N102-D106 WeakPolarHBondContact O-CB 3.43Å; N102-D106 PolarHBondContact O-N 3.44Å; D106-Y108 VanDerWaalsContact O-CD1 3.22Å; D106-Y108 WeakPolarHBondContact O-CD1 3.28Å |
| 107 | M | 97.7 | Very high | 97.4 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 49% | 0.488 | 29% | 0.285 | S | S | . | . | trans | -77.5 | 146.5 | 174.5 | -74.4 | 173.4 | -74.2 | 0 | 0 | 111.2 | L71 L72 | L71-M107 HydrophobicContact CD1-CE 3.29Å; L71-M107 HydrophobicContact CD1-SD 3.88Å; L71-M107 HydrophobicContact CD2-CE 4.37Å; L71-M107 HydrophobicContact CD2-SD 4.13Å; L71-M107 HydrophobicContact CG-CE 3.53Å; L71-M107 HydrophobicContact CG-SD 3.94Å; L72-M107 HydrophobicContact CD2-CB 3.77Å; L72-M107 WeakPolarHBondContact CD2-O 2.84Å | ||
| 108 | Y | 98 | Very high | 97.3 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | trans | -159.1 | 158.7 | 178.2 | 55.6 | -96.3 | 0 | 0 | 0 | 112.8 | P44 V47 L103 D106 I113 | P44-Y108 VanDerWaalsContact CB-CB 3.45Å; V47-Y108 VanDerWaalsContact CG1-C 3.41Å; L103-Y108 HydrophobicContact CB-CE1 4.46Å; L103-Y108 HydrophobicContact CD2-CD1 4.01Å; L103-Y108 HydrophobicContact CD2-CE1 3.88Å; L103-Y108 WeakPolarHBondContact O-CE1 3.5Å; D106-Y108 VanDerWaalsContact O-CD1 3.22Å; D106-Y108 WeakPolarHBondContact O-CD1 3.28Å; Y108-I113 HydrophobicContact CD1-CG1 4.36Å; Y108-I113 HydrophobicContact CD2-CB 4.29Å; Y108-I113 HydrophobicContact CD2-CD1 4.4Å; Y108-I113 HydrophobicContact CD2-CG1 3.35Å; Y108-I113 HydrophobicContact CE2-CG1 4.03Å; Y108-I113 HydrophobicContact CG-CD1 4.12Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å | ||
| 109 | A | 97.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | trans | -82.9 | 131.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | P44 V47 D111 S112 I113 | P44-A109 WeakPolarHBondContact O-CB 3.41Å; P44-A109 PolarHBondContact O-N 2.78Å; V47-A109 HydrophobicContact CG1-CB 4.06Å; A109-D111 PolarHBondContact O-N 3.41Å; A109-S112 PolarHBondContact O-N 3.12Å; A109-I113 PolarHBondContact O-N 3.24Å | ||
| 110 | Q | 95.4 | Very high | 97 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | -175.4 | -176.6 | 62.9 | 31.4 | 0 | 0 | 111.9 | S112 I113 E114 | Q110-S112 VanDerWaalsContact C-N 3.26Å; Q110-S112 PolarHBondContact O-N 3.45Å; Q110-I113 PolarHBondContact O-N 3.02Å; Q110-I113 VanDerWaalsContact O-N 3.14Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.42Å; Q110-E114 PolarHBondContact NE2-OE1 3.25Å; Q110-E114 PolarHBondContact O-N 3.2Å |
| 111 | D | 95.8 | Very high | 96.9 | Very high | 121 Ų | 121 | 60.6 Ų | 60.6 | 65% | 0.647 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59 | -36.9 | -179 | -61 | -2.1 | 0 | 0 | 0 | 112.1 | A109 E114 L115 | A109-D111 PolarHBondContact O-N 3.41Å; D111-E114 PolarHBondContact O-N 3.4Å; D111-L115 WeakPolarHBondContact O-CB 3.23Å; D111-L115 PolarHBondContact O-N 2.84Å |
| 112 | S | 94.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 66.3 Ų | 66.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | G45 A109 Q110 E114 L115 L116 | G45-S112 WeakPolarHBondContact CA-OG 3.23Å; A109-S112 PolarHBondContact O-N 3.12Å; Q110-S112 VanDerWaalsContact C-N 3.26Å; Q110-S112 PolarHBondContact O-N 3.45Å; S112-E114 VanDerWaalsContact C-N 3.35Å; S112-L115 PolarHBondContact O-N 2.88Å; S112-L116 WeakPolarHBondContact O-CB 3.46Å; S112-L116 WeakPolarHBondContact O-CG 3.18Å; S112-L116 PolarHBondContact O-N 3.3Å |
| 113 | I | 97.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.3 | -63.3 | -55 | 0 | 0 | 0 | 111.2 | P44 I75 F101 L103 Y108 A109 Q110 T117 F123 | P44-I113 HydrophobicContact CB-CD1 4.15Å; I75-I113 HydrophobicContact CD1-CD1 4.36Å; F101-I113 HydrophobicContact CE1-CD1 4.27Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CD1 3.85Å; L103-I113 HydrophobicContact CD2-CG1 3.95Å; L103-I113 HydrophobicContact CD2-CG2 3.77Å; Y108-I113 HydrophobicContact CD1-CG1 4.36Å; Y108-I113 HydrophobicContact CD2-CB 4.29Å; Y108-I113 HydrophobicContact CD2-CD1 4.4Å; Y108-I113 HydrophobicContact CD2-CG1 3.35Å; Y108-I113 HydrophobicContact CE2-CG1 4.03Å; Y108-I113 HydrophobicContact CG-CD1 4.12Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å; A109-I113 PolarHBondContact O-N 3.24Å; Q110-I113 PolarHBondContact O-N 3.02Å; Q110-I113 VanDerWaalsContact O-N 3.14Å; I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.28Å; I113-T117 PolarHBondContact O-N 2.81Å; I113-T117 PolarHBondContact O-OG1 3.05Å; I113-F123 HydrophobicContact CD1-CE1 3.77Å; I113-F123 HydrophobicContact CD1-CE2 4.42Å; I113-F123 HydrophobicContact CD1-CZ 3.56Å; I113-F123 HydrophobicContact CG2-CD2 4.45Å; I113-F123 HydrophobicContact CG2-CE2 3.91Å; I113-F123 HydrophobicContact CG2-CZ 4.13Å |
| 114 | E | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 68.5 Ų | 68.5 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177 | -71.3 | 179.6 | -167.3 | 0 | 0 | 111.9 | Q110 D111 S112 T117 T118 | Q110-E114 WeakPolarHBondContact CG-OE1 3.42Å; Q110-E114 PolarHBondContact NE2-OE1 3.25Å; Q110-E114 PolarHBondContact O-N 3.2Å; D111-E114 PolarHBondContact O-N 3.4Å; S112-E114 VanDerWaalsContact C-N 3.35Å; E114-T117 PolarHBondContact O-N 3.39Å; E114-T118 WeakPolarHBondContact O-CB 3.41Å; E114-T118 PolarHBondContact O-N 3.48Å; E114-T118 PolarHBondContact O-OG1 3.24Å |
| 115 | L | 95.6 | Very high | 97 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.7 | -55.5 | 173.8 | 178.9 | 65 | 0 | 0 | 0 | 110.6 | D111 S112 T117 T118 S119 E280 | D111-L115 WeakPolarHBondContact O-CB 3.23Å; D111-L115 PolarHBondContact O-N 2.84Å; S112-L115 PolarHBondContact O-N 2.88Å; L115-T117 VanDerWaalsContact C-N 3.29Å; L115-T117 PolarHBondContact O-N 3.34Å; L115-T118 CarbonylContact O-C 3.54Å; L115-T118 WeakPolarHBondContact O-CA 3.39Å; L115-T118 VanDerWaalsContact O-CB 3.31Å; L115-T118 WeakPolarHBondContact O-CB 3.49Å; L115-T118 PolarHBondContact O-N 3.13Å; L115-S119 PolarHBondContact O-N 3.37Å; L115-S119 PolarHBondContact O-OG 3.25Å; L115-E280 HydrophobicContact CD2-CG 3.76Å |
| 116 | L | 96.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -37.8 | -178.8 | -72.8 | 175.4 | 0 | 0 | 0 | 112.7 | E42 I75 S112 T118 S119 G120 I121 F123 | E42-L116 HydrophobicContact CB-CD2 3.99Å; E42-L116 HydrophobicContact CG-CD2 4.02Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.26Å; I75-L116 HydrophobicContact CD1-CD1 3.58Å; S112-L116 WeakPolarHBondContact O-CB 3.46Å; S112-L116 WeakPolarHBondContact O-CG 3.18Å; S112-L116 PolarHBondContact O-N 3.3Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-S119 PolarHBondContact O-N 2.7Å; L116-G120 PolarHBondContact O-N 2.96Å; L116-I121 HydrophobicContact CB-CB 4.25Å; L116-I121 HydrophobicContact CB-CG1 3.9Å; L116-I121 HydrophobicContact CD2-CG1 4.13Å; L116-I121 VanDerWaalsContact O-CB 3.29Å; L116-I121 WeakPolarHBondContact O-CB 3.36Å; L116-I121 VanDerWaalsContact O-CG1 3.31Å; L116-I121 WeakPolarHBondContact O-CG1 3.49Å; L116-I121 PolarHBondContact O-N 3.29Å; L116-F123 HydrophobicContact CB-CE2 4.19Å; L116-F123 HydrophobicContact CB-CZ 3.99Å; L116-F123 HydrophobicContact CD1-CZ 4.29Å |
| 117 | T | 96.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | I113 E114 L115 S119 G120 F123 | I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.28Å; I113-T117 PolarHBondContact O-N 2.81Å; I113-T117 PolarHBondContact O-OG1 3.05Å; E114-T117 PolarHBondContact O-N 3.39Å; L115-T117 VanDerWaalsContact C-N 3.29Å; L115-T117 PolarHBondContact O-N 3.34Å; T117-S119 VanDerWaalsContact C-N 3.28Å; T117-S119 PolarHBondContact O-N 2.84Å; T117-G120 PolarHBondContact O-N 3.32Å; T117-G120 VanDerWaalsContact O-N 3.09Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.43Å |
| 118 | T | 96.8 | Very high | 97.1 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.5 | -35 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | E114 L115 L116 G120 | E114-T118 WeakPolarHBondContact O-CB 3.41Å; E114-T118 PolarHBondContact O-N 3.48Å; E114-T118 PolarHBondContact O-OG1 3.24Å; L115-T118 CarbonylContact O-C 3.54Å; L115-T118 WeakPolarHBondContact O-CA 3.39Å; L115-T118 VanDerWaalsContact O-CB 3.31Å; L115-T118 WeakPolarHBondContact O-CB 3.49Å; L115-T118 PolarHBondContact O-N 3.13Å; L116-T118 VanDerWaalsContact C-N 3.34Å; T118-G120 PolarHBondContact O-N 3.37Å |
| 119 | S | 94.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -5.9 | 175.2 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | L115 L116 T117 Q224 H225 Q226 | L115-S119 PolarHBondContact O-N 3.37Å; L115-S119 PolarHBondContact O-OG 3.25Å; L116-S119 PolarHBondContact O-N 2.7Å; T117-S119 VanDerWaalsContact C-N 3.28Å; T117-S119 PolarHBondContact O-N 2.84Å; S119-Q224 WeakPolarHBondContact CB-O 3.32Å; S119-H225 WeakPolarHBondContact CB-O 3.15Å; S119-H225 WeakPolarHBondContact OG-CB 3.27Å; S119-Q226 PolarHBondContact O-NE2 2.85Å |
| 120 | G | 97.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | 12.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L116 T117 T118 Q122 | L116-G120 PolarHBondContact O-N 2.96Å; T117-G120 PolarHBondContact O-N 3.32Å; T117-G120 VanDerWaalsContact O-N 3.09Å; T118-G120 PolarHBondContact O-N 3.37Å; G120-Q122 PolarHBondContact O-N 3.03Å |
| 121 | I | 97.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | trans | -64.8 | 126.8 | 174.3 | -62.7 | -61.4 | 0 | 0 | 0 | 110.6 | I75 Q76 L116 F123 Q226 | I75-I121 HydrophobicContact CG2-CG2 4.2Å; Q76-I121 HydrophobicContact CG-CD1 4.07Å; Q76-I121 VanDerWaalsContact NE2-CD1 3.26Å; L116-I121 HydrophobicContact CB-CB 4.25Å; L116-I121 HydrophobicContact CB-CG1 3.9Å; L116-I121 HydrophobicContact CD2-CG1 4.13Å; L116-I121 VanDerWaalsContact O-CB 3.29Å; L116-I121 WeakPolarHBondContact O-CB 3.36Å; L116-I121 VanDerWaalsContact O-CG1 3.31Å; L116-I121 WeakPolarHBondContact O-CG1 3.49Å; L116-I121 PolarHBondContact O-N 3.29Å; I121-F123 HydrophobicContact CB-CE2 4.12Å; I121-F123 HydrophobicContact CB-CZ 4.4Å; I121-F123 HydrophobicContact CG2-CD1 4.19Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 4Å; I121-F123 HydrophobicContact CG2-CE2 3.77Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.78Å; I121-F123 PolarHBondContact O-N 2.5Å; I121-Q226 HydrophobicContact CD1-CG 4.03Å | ||
| 122 | Q | 97.9 | Very high | 97.5 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | trans | -95.4 | 75.2 | -179 | -63.8 | 178.4 | 2.7 | 0 | 0 | 110.6 | G120 K124 K125 H126 | G120-Q122 PolarHBondContact O-N 3.03Å; Q122-K124 PolarHBondContact O-N 2.9Å; Q122-K125 HydrophobicContact CB-CB 3.98Å; Q122-K125 WeakPolarHBondContact O-CA 3.44Å; Q122-K125 WeakPolarHBondContact O-CB 3.32Å; Q122-K125 PolarHBondContact O-N 2.85Å; Q122-H126 PolarHBondContact O-CD2 2.91Å; Q122-H126 PolarHBondContact O-N 3.15Å; Q122-H126 VanDerWaalsContact O-N 3.12Å | ||
| 123 | F | 98.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.4 | -34.5 | -174.7 | -76.9 | -74.5 | 0 | 0 | 0 | 114.6 | I75 F101 L103 I113 L116 T117 I121 K125 H126 E127 | I75-F123 HydrophobicContact CD1-CE1 3.94Å; I75-F123 HydrophobicContact CD1-CZ 4.3Å; I75-F123 HydrophobicContact CG2-CE1 4.33Å; F101-F123 AromaticContact CD1-CD1 3.99Å; F101-F123 HydrophobicContact CD1-CD1 3.99Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CE1 4.27Å; L103-F123 HydrophobicContact CD1-CB 3.72Å; L103-F123 HydrophobicContact CD1-CD1 4.24Å; L103-F123 HydrophobicContact CD1-CD2 4.23Å; L103-F123 HydrophobicContact CD1-CG 3.8Å; L103-F123 HydrophobicContact CD2-CD1 4.24Å; L103-F123 HydrophobicContact CD2-CE1 4.41Å; L103-F123 HydrophobicContact CG-CB 4.3Å; L103-F123 HydrophobicContact CG-CD1 4.14Å; L103-F123 HydrophobicContact CG-CG 4.22Å; I113-F123 HydrophobicContact CD1-CE1 3.77Å; I113-F123 HydrophobicContact CD1-CE2 4.42Å; I113-F123 HydrophobicContact CD1-CZ 3.56Å; I113-F123 HydrophobicContact CG2-CD2 4.45Å; I113-F123 HydrophobicContact CG2-CE2 3.91Å; I113-F123 HydrophobicContact CG2-CZ 4.13Å; L116-F123 HydrophobicContact CB-CE2 4.19Å; L116-F123 HydrophobicContact CB-CZ 3.99Å; L116-F123 HydrophobicContact CD1-CZ 4.29Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.43Å; I121-F123 HydrophobicContact CB-CE2 4.12Å; I121-F123 HydrophobicContact CB-CZ 4.4Å; I121-F123 HydrophobicContact CG2-CD1 4.19Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 4Å; I121-F123 HydrophobicContact CG2-CE2 3.77Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.78Å; I121-F123 PolarHBondContact O-N 2.5Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.88Å; F123-H126 WeakPolarHBondContact O-CB 3.31Å; F123-H126 PolarHBondContact O-N 2.94Å; F123-E127 PolarHBondContact O-N 2.65Å |
| 124 | K | 98.5 | Very high | 97.8 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 176 | -169.5 | 47.6 | 167.2 | 149.4 | 0 | 112.7 | Q122 E127 E128 | Q122-K124 PolarHBondContact O-N 2.9Å; K124-E127 VanDerWaalsContact CD-OE2 3.28Å; K124-E127 WeakPolarHBondContact CD-OE2 3.43Å; K124-E127 VanDerWaalsContact NZ-CD 3.26Å; K124-E127 IonicContact NZ-OE1 3.72Å; K124-E127 PolarHBondContact NZ-OE1 3.48Å; K124-E127 VanDerWaalsContact NZ-OE1 3.13Å; K124-E127 IonicContact NZ-OE2 3.85Å; K124-E127 PolarHBondContact NZ-OE2 3.08Å; K124-E127 WeakPolarHBondContact O-CB 3.36Å; K124-E127 PolarHBondContact O-N 3.18Å; K124-E128 WeakPolarHBondContact CE-OE1 3.48Å; K124-E128 IonicContact NZ-OE1 2.68Å; K124-E128 PolarHBondContact NZ-OE1 3.35Å; K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.16Å |
| 125 | K | 98.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.2 | -35.5 | 175.8 | -163.8 | 179.1 | 177.2 | -165.8 | 0 | 112 | W16 Q122 F123 E127 E128 E129 G130 | W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.29Å; W16-K125 HydrophobicContact CE3-CD 4.32Å; W16-K125 HydrophobicContact CE3-CG 4.08Å; W16-K125 HydrophobicContact CH2-CB 4.01Å; W16-K125 HydrophobicContact CH2-CD 3.68Å; W16-K125 HydrophobicContact CH2-CG 3.79Å; W16-K125 HydrophobicContact CZ2-CD 3.63Å; W16-K125 HydrophobicContact CZ2-CG 4.23Å; W16-K125 HydrophobicContact CZ3-CB 4.07Å; W16-K125 HydrophobicContact CZ3-CD 4.02Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; Q122-K125 HydrophobicContact CB-CB 3.98Å; Q122-K125 WeakPolarHBondContact O-CA 3.44Å; Q122-K125 WeakPolarHBondContact O-CB 3.32Å; Q122-K125 PolarHBondContact O-N 2.85Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.88Å; K125-E127 VanDerWaalsContact C-N 3.32Å; K125-E127 PolarHBondContact O-N 3.4Å; K125-E128 PolarHBondContact O-N 2.93Å; K125-E129 WeakPolarHBondContact CE-OE2 3.32Å; K125-E129 HydrophobicContact CG-CB 4.19Å; K125-E129 HydrophobicContact CG-CG 4.32Å; K125-E129 IonicContact NZ-OE2 2.75Å; K125-E129 WeakPolarHBondContact O-CA 3.4Å; K125-E129 WeakPolarHBondContact O-CB 3.43Å; K125-E129 PolarHBondContact O-N 3.37Å; K125-G130 PolarHBondContact O-N 3.17Å |
| 126 | H | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 170.8 | -78.8 | -100 | 0 | 0 | 0 | 111.7 | W16 I75 F99 K100 F101 Q122 F123 E128 G130 | W16-H126 AromaticContact CH2-CD2 3.9Å; W16-H126 AromaticContact CH2-NE2 3.91Å; I75-H126 PolarHBondContact O-CE1 2.79Å; I75-H126 VanDerWaalsContact O-CE1 3.24Å; I75-H126 PolarHBondContact O-ND1 2.92Å; F99-H126 PolarHBondContact O-ND1 3.32Å; K100-H126 WeakPolarHBondContact CA-O 3.49Å; F101-H126 HydrophobicContact CB-CB 4.23Å; Q122-H126 PolarHBondContact O-CD2 2.91Å; Q122-H126 PolarHBondContact O-N 3.15Å; Q122-H126 VanDerWaalsContact O-N 3.12Å; F123-H126 WeakPolarHBondContact O-CB 3.31Å; F123-H126 PolarHBondContact O-N 2.94Å; H126-E128 PolarHBondContact O-N 2.82Å; H126-G130 VanDerWaalsContact O-CA 3.29Å; H126-G130 WeakPolarHBondContact O-CA 3.49Å; H126-G130 PolarHBondContact O-N 3.31Å; H126-G130 VanDerWaalsContact O-N 3.1Å |
| 127 | E | 98.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.7 | -170.9 | -164.7 | 150.2 | 0 | 0 | 112 | K100 F101 N102 F123 K124 K125 | K100-E127 PolarHBondContact NZ-O 3.5Å; K100-E127 VanDerWaalsContact NZ-O 3.17Å; F101-E127 VanDerWaalsContact O-CA 3.24Å; F101-E127 WeakPolarHBondContact O-CA 3.46Å; F101-E127 PolarHBondContact O-N 2.78Å; N102-E127 HydrophobicContact CB-CG 4.22Å; F123-E127 PolarHBondContact O-N 2.65Å; K124-E127 VanDerWaalsContact CD-OE2 3.28Å; K124-E127 WeakPolarHBondContact CD-OE2 3.43Å; K124-E127 VanDerWaalsContact NZ-CD 3.26Å; K124-E127 IonicContact NZ-OE1 3.72Å; K124-E127 PolarHBondContact NZ-OE1 3.48Å; K124-E127 VanDerWaalsContact NZ-OE1 3.13Å; K124-E127 IonicContact NZ-OE2 3.85Å; K124-E127 PolarHBondContact NZ-OE2 3.08Å; K124-E127 WeakPolarHBondContact O-CB 3.36Å; K124-E127 PolarHBondContact O-N 3.18Å; K125-E127 VanDerWaalsContact C-N 3.32Å; K125-E127 PolarHBondContact O-N 3.4Å |
| 128 | E | 98.6 | Very high | 98.2 | Very high | 115 Ų | 115 | 58.1 Ų | 58.1 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -88 | -41.9 | -169.9 | -68 | 175.9 | 176.5 | 0 | 0 | 113.7 | K124 K125 H126 | K124-E128 WeakPolarHBondContact CE-OE1 3.48Å; K124-E128 IonicContact NZ-OE1 2.68Å; K124-E128 PolarHBondContact NZ-OE1 3.35Å; K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.16Å; K125-E128 PolarHBondContact O-N 2.93Å; H126-E128 PolarHBondContact O-N 2.82Å |
| 129 | E | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -120.6 | -1.4 | -168.7 | -59.8 | 179.5 | -149.2 | 0 | 0 | 113.4 | W16 S17 K125 | W16-E129 HydrophobicContact CE3-CB 4.08Å; S17-E129 VanDerWaalsContact CB-O 3.31Å; S17-E129 WeakPolarHBondContact CB-O 3.49Å; S17-E129 PolarHBondContact N-O 2.82Å; S17-E129 PolarHBondContact OG-O 3.45Å; K125-E129 WeakPolarHBondContact CE-OE2 3.32Å; K125-E129 HydrophobicContact CG-CB 4.19Å; K125-E129 HydrophobicContact CG-CG 4.32Å; K125-E129 IonicContact NZ-OE2 2.75Å; K125-E129 WeakPolarHBondContact O-CA 3.4Å; K125-E129 WeakPolarHBondContact O-CB 3.43Å; K125-E129 PolarHBondContact O-N 3.37Å |
| 130 | G | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 151.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N98 K125 H126 | N98-G130 WeakPolarHBondContact O-CA 3.48Å; K125-G130 PolarHBondContact O-N 3.17Å; H126-G130 VanDerWaalsContact O-CA 3.29Å; H126-G130 WeakPolarHBondContact O-CA 3.49Å; H126-G130 PolarHBondContact O-N 3.31Å; H126-G130 VanDerWaalsContact O-N 3.1Å |
| 131 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 133.7 | 179.8 | -63.8 | 160.7 | 0 | 0 | 0 | 110.4 | V15 W16 L20 F97 N98 F99 K100 T133 F136 | V15-I131 HydrophobicContact CB-CD1 4.27Å; V15-I131 HydrophobicContact CG1-CD1 4.03Å; V15-I131 WeakPolarHBondContact O-CD1 3.35Å; W16-I131 VanDerWaalsContact C-CG1 3.47Å; L20-I131 HydrophobicContact CD1-CD1 4.18Å; L20-I131 HydrophobicContact CD2-CG1 4.5Å; L20-I131 HydrophobicContact CD2-CG2 3.68Å; F97-I131 HydrophobicContact CB-CD1 4.02Å; F97-I131 HydrophobicContact CD1-CD1 3.94Å; N98-I131 WeakPolarHBondContact O-CG1 3.07Å; N98-I131 PolarHBondContact O-N 3.43Å; F99-I131 WeakPolarHBondContact CA-O 3.31Å; F99-I131 HydrophobicContact CD1-CB 3.86Å; F99-I131 HydrophobicContact CD1-CG2 3.93Å; F99-I131 HydrophobicContact CE1-CB 4.29Å; F99-I131 HydrophobicContact CE1-CG2 3.99Å; K100-I131 PolarHBondContact N-O 3.37Å; I131-T133 PolarHBondContact O-N 2.93Å; I131-F136 HydrophobicContact CG2-CB 3.79Å |
| 132 | E | 98.8 | Very high | 98.5 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 122.3 | 166.9 | -64.2 | -65.5 | 170.1 | 0 | 0 | 109.9 | K100 L134 Y135 F136 | K100-E132 WeakPolarHBondContact CD-OE1 3.45Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 3.47Å; E132-Y135 PolarHBondContact O-N 3.49Å; E132-Y135 VanDerWaalsContact O-N 3.12Å; E132-F136 PolarHBondContact O-N 3.46Å |
| 133 | T | 98.7 | Very high | 98.5 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | -173.1 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | I74 F99 I131 F136 A137 I168 | I74-T133 HydrophobicContact CG2-CG2 3.78Å; F99-T133 HydrophobicContact CB-CG2 4.37Å; F99-T133 HydrophobicContact CD1-CG2 3.71Å; F99-T133 HydrophobicContact CE1-CG2 4.24Å; F99-T133 HydrophobicContact CG-CG2 4.1Å; I131-T133 PolarHBondContact O-N 2.93Å; T133-F136 WeakPolarHBondContact O-CB 3.13Å; T133-F136 PolarHBondContact O-N 2.99Å; T133-A137 WeakPolarHBondContact O-CB 3.13Å; T133-A137 PolarHBondContact O-N 3.37Å; T133-I168 HydrophobicContact CG2-CD1 4.31Å; T133-I168 HydrophobicContact CG2-CG1 4.43Å |
| 134 | L | 98.3 | Very high | 98.5 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 177.3 | -63.4 | -179.3 | 0 | 0 | 0 | 112.6 | E132 A137 E138 N171 | E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 3.47Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 3.05Å; L134-E138 PolarHBondContact O-N 3.48Å; L134-N171 HydrophobicContact CD2-CB 3.92Å; L134-N171 VanDerWaalsContact CD2-OD1 3.23Å; L134-N171 WeakPolarHBondContact CD2-OD1 3.42Å |
| 135 | Y | 98.8 | Very high | 98.5 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.7 | -38.7 | 176.8 | -170.8 | -131 | 0 | 0 | 0 | 111.2 | L20 E21 E132 A137 E138 L139 | L20-Y135 HydrophobicContact CD2-CD1 3.77Å; L20-Y135 HydrophobicContact CD2-CE1 4.19Å; E21-Y135 VanDerWaalsContact CD-OH 3.24Å; E21-Y135 HydrophobicContact CG-CE1 4.33Å; E21-Y135 WeakPolarHBondContact CG-OH 3.4Å; E21-Y135 PolarHBondContact OE1-OH 3.24Å; E132-Y135 PolarHBondContact O-N 3.49Å; E132-Y135 VanDerWaalsContact O-N 3.12Å; Y135-A137 PolarHBondContact O-N 3.37Å; Y135-E138 PolarHBondContact O-N 2.83Å; Y135-L139 HydrophobicContact CD1-CD1 4.34Å; Y135-L139 HydrophobicContact CE1-CD1 3.95Å; Y135-L139 HydrophobicContact CE2-CD1 4.39Å; Y135-L139 HydrophobicContact CE2-CD2 4.41Å; Y135-L139 HydrophobicContact CE2-CG 4.29Å; Y135-L139 WeakPolarHBondContact O-CG 3.29Å; Y135-L139 PolarHBondContact O-N 3.46Å |
| 136 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 169 | 171.5 | -95.3 | 0 | 0 | 0 | 112 | L20 L77 F97 F99 I131 E132 T133 E138 L139 L140 I168 | L20-F136 HydrophobicContact CD1-CD2 4.07Å; L77-F136 HydrophobicContact CD2-CE1 3.92Å; L77-F136 HydrophobicContact CD2-CE2 4.28Å; L77-F136 HydrophobicContact CD2-CZ 3.43Å; L77-F136 VanDerWaalsContact CD2-CZ 3.43Å; F97-F136 AromaticContact CD1-CD2 3.97Å; F97-F136 HydrophobicContact CD1-CD2 3.97Å; F97-F136 AromaticContact CD1-CE2 3.71Å; F97-F136 HydrophobicContact CD1-CE2 3.71Å; F97-F136 HydrophobicContact CD2-CE2 4.15Å; F97-F136 HydrophobicContact CE1-CD2 4.22Å; F97-F136 AromaticContact CE1-CE2 3.77Å; F97-F136 HydrophobicContact CE1-CE2 3.77Å; F97-F136 HydrophobicContact CE2-CE2 4.21Å; F97-F136 HydrophobicContact CG-CD2 4.41Å; F97-F136 AromaticContact CG-CE2 3.9Å; F97-F136 HydrophobicContact CG-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CE2 4.02Å; F99-F136 HydrophobicContact CE1-CB 3.92Å; F99-F136 AromaticContact CE1-CD1 4Å; F99-F136 HydrophobicContact CE1-CD1 4Å; F99-F136 HydrophobicContact CE1-CD2 4.19Å; F99-F136 AromaticContact CE1-CG 3.76Å; F99-F136 HydrophobicContact CE1-CG 3.76Å; F99-F136 HydrophobicContact CZ-CD1 4.05Å; F99-F136 HydrophobicContact CZ-CD2 4.33Å; F99-F136 HydrophobicContact CZ-CE1 4.22Å; F99-F136 HydrophobicContact CZ-CG 4.11Å; F99-F136 HydrophobicContact CZ-CZ 4.46Å; I131-F136 HydrophobicContact CG2-CB 3.79Å; E132-F136 PolarHBondContact O-N 3.46Å; T133-F136 WeakPolarHBondContact O-CB 3.13Å; T133-F136 PolarHBondContact O-N 2.99Å; F136-E138 PolarHBondContact O-N 2.8Å; F136-L139 PolarHBondContact O-N 3.08Å; F136-L140 HydrophobicContact CE1-CB 4.4Å; F136-L140 HydrophobicContact CE1-CD2 3.78Å; F136-L140 HydrophobicContact CZ-CB 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.22Å; F136-L140 HydrophobicContact CZ-CD2 3.78Å; F136-L140 HydrophobicContact CZ-CG 4.37Å; F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 PolarHBondContact O-N 2.89Å; F136-I168 HydrophobicContact CD1-CG2 4.25Å |
| 137 | A | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T133 L134 Y135 L139 L140 M141 I168 | T133-A137 WeakPolarHBondContact O-CB 3.13Å; T133-A137 PolarHBondContact O-N 3.37Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 3.05Å; Y135-A137 PolarHBondContact O-N 3.37Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 2.83Å; A137-L140 PolarHBondContact O-N 3.24Å; A137-M141 VanDerWaalsContact O-CB 3.3Å; A137-M141 WeakPolarHBondContact O-CB 3.47Å; A137-M141 PolarHBondContact O-N 2.83Å; A137-I168 HydrophobicContact CB-CG2 3.77Å |
| 138 | E | 98.6 | Very high | 98.3 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -54.6 | -48.6 | 176.2 | -178.7 | -173.3 | 162.6 | 0 | 0 | 111.7 | L134 Y135 F136 | L134-E138 PolarHBondContact O-N 3.48Å; Y135-E138 PolarHBondContact O-N 2.83Å; F136-E138 PolarHBondContact O-N 2.8Å |
| 139 | L | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -36.8 | -177.7 | -65 | 177.5 | 0 | 0 | 0 | 112.6 | L20 E21 L24 R28 Y135 F136 A137 | L20-L139 HydrophobicContact CD2-CD1 3.82Å; L20-L139 HydrophobicContact CG-CD1 3.79Å; E21-L139 HydrophobicContact CG-CD1 4.05Å; L24-L139 HydrophobicContact CD1-CB 3.65Å; L24-L139 HydrophobicContact CG-CB 4.1Å; L24-L139 HydrophobicContact CG-CD1 4.47Å; R28-L139 PolarHBondContact NH2-O 3.44Å; Y135-L139 HydrophobicContact CD1-CD1 4.34Å; Y135-L139 HydrophobicContact CE1-CD1 3.95Å; Y135-L139 HydrophobicContact CE2-CD1 4.39Å; Y135-L139 HydrophobicContact CE2-CD2 4.41Å; Y135-L139 HydrophobicContact CE2-CG 4.29Å; Y135-L139 WeakPolarHBondContact O-CG 3.29Å; Y135-L139 PolarHBondContact O-N 3.46Å; F136-L139 PolarHBondContact O-N 3.08Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 2.83Å |
| 140 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 179 | -163.9 | 71.9 | 0 | 0 | 0 | 111.6 | L24 F136 A137 T142 S143 V145 V146 L169 | L24-L140 HydrophobicContact CD1-CD1 4.48Å; F136-L140 HydrophobicContact CE1-CB 4.4Å; F136-L140 HydrophobicContact CE1-CD2 3.78Å; F136-L140 HydrophobicContact CZ-CB 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.22Å; F136-L140 HydrophobicContact CZ-CD2 3.78Å; F136-L140 HydrophobicContact CZ-CG 4.37Å; F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 PolarHBondContact O-N 2.89Å; A137-L140 PolarHBondContact O-N 3.24Å; L140-T142 PolarHBondContact O-N 2.96Å; L140-T142 VanDerWaalsContact O-N 3.11Å; L140-S143 VanDerWaalsContact O-CB 3.31Å; L140-S143 WeakPolarHBondContact O-CB 3.39Å; L140-S143 PolarHBondContact O-N 2.82Å; L140-S143 PolarHBondContact O-OG 2.99Å; L140-V145 HydrophobicContact CD1-CB 3.89Å; L140-V145 HydrophobicContact CD1-CG1 3.82Å; L140-V145 HydrophobicContact CD1-CG2 4.26Å; L140-V145 HydrophobicContact CG-CB 4.49Å; L140-V145 HydrophobicContact CG-CG1 4.43Å; L140-V146 HydrophobicContact CD2-CG1 4.11Å; L140-V146 HydrophobicContact CG-CG1 4.45Å; L140-L169 HydrophobicContact CD2-CD2 4.25Å |
| 141 | M | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 49 Ų | 49 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.2 | -35.6 | -178 | -168.4 | 65.7 | 69.1 | 0 | 0 | 113.1 | A137 L147 L169 Y188 | A137-M141 VanDerWaalsContact O-CB 3.3Å; A137-M141 WeakPolarHBondContact O-CB 3.47Å; A137-M141 PolarHBondContact O-N 2.83Å; M141-L147 HydrophobicContact SD-CD1 3.44Å; M141-L147 WeakPolarHBondContact SD-CD1 3.44Å; M141-L169 HydrophobicContact CE-CB 4.39Å; M141-L169 HydrophobicContact CE-CD2 4.02Å; M141-L169 WeakPolarHBondContact CE-O 3.33Å; M141-Y188 HydrophobicContact CE-CE1 3.81Å; M141-Y188 HydrophobicContact SD-CE1 3.86Å |
| 142 | T | 96.9 | Very high | 97.8 | Very high | 110 Ų | 110 | 51.1 Ų | 51.1 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 16.2 | -177.9 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | L140 | L140-T142 PolarHBondContact O-N 2.96Å; L140-T142 VanDerWaalsContact O-N 3.11Å |
| 143 | S | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -19.9 | -174.7 | 68.5 | 0 | 0 | 0 | 0 | 114.8 | L140 V145 | L140-S143 VanDerWaalsContact O-CB 3.31Å; L140-S143 WeakPolarHBondContact O-CB 3.39Å; L140-S143 PolarHBondContact O-N 2.82Å; L140-S143 PolarHBondContact O-OG 2.99Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.31Å; S143-V145 WeakPolarHBondContact OG-CG2 3.38Å; S143-V145 PolarHBondContact OG-N 2.83Å; S143-V145 VanDerWaalsContact OG-N 3.14Å |
| 144 | G | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -1.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V151 | G144-V151 WeakPolarHBondContact O-CG2 3.29Š|
| 145 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79.2 | -32.6 | 179.4 | 169 | 0 | 0 | 0 | 0 | 112.6 | I27 I31 I37 F81 L140 S143 W153 | I27-V145 HydrophobicContact CG2-CG2 3.67Å; I31-V145 HydrophobicContact CB-CG2 4.36Å; I31-V145 HydrophobicContact CG1-CG2 4.12Å; I37-V145 HydrophobicContact CD1-CB 4.3Å; I37-V145 HydrophobicContact CD1-CG1 3.57Å; I37-V145 HydrophobicContact CD1-CG2 4.41Å; F81-V145 HydrophobicContact CE1-CG2 4.19Å; F81-V145 HydrophobicContact CZ-CG2 4.34Å; L140-V145 HydrophobicContact CD1-CB 3.89Å; L140-V145 HydrophobicContact CD1-CG1 3.82Å; L140-V145 HydrophobicContact CD1-CG2 4.26Å; L140-V145 HydrophobicContact CG-CB 4.49Å; L140-V145 HydrophobicContact CG-CG1 4.43Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.31Å; S143-V145 WeakPolarHBondContact OG-CG2 3.38Å; S143-V145 PolarHBondContact OG-N 2.83Å; S143-V145 VanDerWaalsContact OG-N 3.14Å; V145-W153 HydrophobicContact CG1-CH2 3.84Å; V145-W153 HydrophobicContact CG1-CZ2 3.46Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.46Å; V145-W153 WeakPolarHBondContact O-CZ2 3.34Å; V145-W153 PolarHBondContact O-NE1 2.94Å |
| 146 | V | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -121 | 163.7 | 177.6 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | L140 C148 W153 L169 Y188 F189 | L140-V146 HydrophobicContact CD2-CG1 4.11Å; L140-V146 HydrophobicContact CG-CG1 4.45Å; V146-C148 PolarHBondContact O-N 3.05Å; V146-C148 PolarHBondContact O-SG 3.31Å; V146-C148 VanDerWaalsContact O-SG 3.37Å; V146-W153 HydrophobicContact CG1-CZ2 3.96Å; V146-L169 HydrophobicContact CG1-CD1 4.12Å; V146-Y188 HydrophobicContact CB-CD1 4.39Å; V146-Y188 HydrophobicContact CG2-CD1 4.45Å; V146-F189 HydrophobicContact CG1-CD1 4.39Å; V146-F189 HydrophobicContact CG1-CE1 3.7Å; V146-F189 HydrophobicContact CG1-CZ 4.15Å |
| 147 | L | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 43% | 0.429 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 60.8 | 3.9 | 178 | -58 | 168.5 | 0 | 0 | 0 | 115.3 | M141 L187 Y188 | M141-L147 HydrophobicContact SD-CD1 3.44Å; M141-L147 WeakPolarHBondContact SD-CD1 3.44Å; L147-L187 WeakPolarHBondContact CD2-O 3.45Å; L147-Y188 HydrophobicContact CD1-CD1 4.37Å; L147-Y188 HydrophobicContact CD1-CE1 4.17Å; L147-Y188 HydrophobicContact CD2-CD1 3.69Å; L147-Y188 HydrophobicContact CD2-CE1 3.96Å; L147-Y188 HydrophobicContact CD2-CG 4.11Å; L147-Y188 HydrophobicContact CG-CD1 3.83Å; L147-Y188 HydrophobicContact CG-CE1 4.12Å; L147-Y188 PolarHBondContact N-O 2.9Å |
| 148 | C | 95.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 36 Ų | 36 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | trans | -109.5 | 127.1 | -174.9 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | V146 V151 | V146-C148 PolarHBondContact O-N 3.05Å; V146-C148 PolarHBondContact O-SG 3.31Å; V146-C148 VanDerWaalsContact O-SG 3.37Å; C148-V151 HydrophobicContact CB-CG2 4.4Å | ||
| 149 | D | 92.8 | Very high | 97.7 | Very high | 150 Ų | 150 | 29.9 Ų | 29.9 | 80% | 0.802 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 145.1 | 172.4 | -63.3 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 150 | G | 94.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 29.2 Ų | 29.2 | 53% | 0.526 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -6.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | N35 | N35-G150 PolarHBondContact ND2-O 3.37Š|
| 151 | V | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | trans | -83.7 | 136.9 | 166.7 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | I31 N35 I37 G144 C148 | I31-V151 HydrophobicContact CD1-CG1 4.24Å; I31-V151 HydrophobicContact CD1-CG2 4Å; I31-V151 HydrophobicContact CG1-CG2 4.32Å; N35-V151 WeakPolarHBondContact O-CA 3.21Å; I37-V151 HydrophobicContact CD1-CG1 3.53Å; I37-V151 HydrophobicContact CG1-CG1 3.94Å; G144-V151 WeakPolarHBondContact O-CG2 3.29Å; C148-V151 HydrophobicContact CB-CG2 4.4Å | ||
| 152 | K | 98.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.1 | 178.7 | -62.7 | 175.2 | 176.8 | 176.3 | 0 | 109.7 | N35 Y36 I37 E84 V191 Y193 | N35-K152 PolarHBondContact O-N 2.87Å; Y36-K152 CarbonylContact C-O 3.56Å; Y36-K152 WeakPolarHBondContact CA-O 3.16Å; Y36-K152 HydrophobicContact CD1-CB 4.15Å; Y36-K152 HydrophobicContact CD1-CD 4.49Å; Y36-K152 HydrophobicContact CD2-CD 4.28Å; Y36-K152 HydrophobicContact CE1-CB 4.15Å; Y36-K152 HydrophobicContact CE1-CD 3.79Å; Y36-K152 HydrophobicContact CE2-CD 3.52Å; Y36-K152 HydrophobicContact CG-CB 4.35Å; Y36-K152 WeakPolarHBondContact OH-CD 3.21Å; Y36-K152 PolarHBondContact OH-NZ 3.05Å; I37-K152 PolarHBondContact N-O 3.14Å; E84-K152 IonicContact OE2-NZ 3.97Å; E84-K152 PolarHBondContact OE2-NZ 3.41Å; K152-V191 HydrophobicContact CB-CG1 4.22Å; K152-V191 HydrophobicContact CG-CB 4.19Å; K152-V191 HydrophobicContact CG-CG1 3.9Å; K152-Y193 HydrophobicContact CD-CE2 4.45Å |
| 153 | W | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.9 | -179.8 | -72.7 | 74.8 | 0 | 0 | 0 | 110.9 | I37 M39 L79 V145 V146 F162 L165 F189 V191 I192 Y193 | I37-W153 HydrophobicContact CB-CD2 4.32Å; I37-W153 HydrophobicContact CB-CE3 4.41Å; I37-W153 HydrophobicContact CD1-CZ2 3.98Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.26Å; I37-W153 HydrophobicContact CG2-CZ3 4.04Å; I37-W153 CarbonylContact O-C 3.59Å; I37-W153 WeakPolarHBondContact O-CA 3.25Å; M39-W153 HydrophobicContact CB-CE3 3.97Å; M39-W153 HydrophobicContact CB-CZ3 3.87Å; M39-W153 HydrophobicContact CG-CE3 4.44Å; M39-W153 HydrophobicContact CG-CZ3 3.96Å; L79-W153 HydrophobicContact CD2-CH2 4.01Å; L79-W153 HydrophobicContact CD2-CZ3 3.74Å; V145-W153 HydrophobicContact CG1-CH2 3.84Å; V145-W153 HydrophobicContact CG1-CZ2 3.46Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.46Å; V145-W153 WeakPolarHBondContact O-CZ2 3.34Å; V145-W153 PolarHBondContact O-NE1 2.94Å; V146-W153 HydrophobicContact CG1-CZ2 3.96Å; W153-F162 HydrophobicContact CB-CZ 4.15Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; W153-L165 HydrophobicContact CZ3-CD1 4.12Å; W153-F189 AromaticContact CD1-CD1 3.88Å; W153-F189 AromaticContact CD2-CD1 3.69Å; W153-F189 HydrophobicContact CD2-CD1 3.69Å; W153-F189 HydrophobicContact CD2-CE1 4.05Å; W153-F189 AromaticContact CE2-CD1 3.4Å; W153-F189 VanDerWaalsContact CE2-CD1 3.4Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 HydrophobicContact CE3-CD1 4.28Å; W153-F189 HydrophobicContact CE3-CE1 4.27Å; W153-F189 HydrophobicContact CG-CD1 4Å; W153-F189 HydrophobicContact CH2-CD1 4.34Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.76Å; W153-F189 HydrophobicContact CZ2-CD1 3.76Å; W153-F189 AromaticContact CZ2-CE1 3.47Å; W153-F189 HydrophobicContact CZ2-CE1 3.47Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.47Å; W153-F189 HydrophobicContact CZ3-CE1 4.12Å; W153-F189 AromaticContact NE1-CD1 3.55Å; W153-V191 WeakPolarHBondContact CB-O 3.42Å; W153-V191 PolarHBondContact N-O 2.96Å; W153-I192 HydrophobicContact CB-CG1 4.15Å; W153-I192 CarbonylContact O-C 3.55Å; W153-I192 WeakPolarHBondContact O-CA 3.33Å; W153-Y193 PolarHBondContact O-N 2.87Å |
| 154 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.2 | 176.6 | -42.9 | 175.1 | 0 | 0 | 0 | 107.7 | Y36 I37 A38 M39 M82 Y193 F238 F239 | Y36-L154 HydrophobicContact CD1-CD1 3.87Å; Y36-L154 HydrophobicContact CD1-CD2 3.87Å; Y36-L154 HydrophobicContact CD1-CG 4.13Å; Y36-L154 HydrophobicContact CE1-CD2 4.24Å; I37-L154 PolarHBondContact O-N 3.26Å; A38-L154 CarbonylContact C-O 3.58Å; A38-L154 VanDerWaalsContact CA-O 3.27Å; A38-L154 WeakPolarHBondContact CA-O 3.1Å; A38-L154 HydrophobicContact CB-CB 4.04Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; M39-L154 PolarHBondContact N-O 2.75Å; M82-L154 HydrophobicContact CE-CD1 3.66Å; L154-Y193 HydrophobicContact CD2-CD2 3.85Å; L154-F238 HydrophobicContact CD1-CB 4.01Å; L154-F238 HydrophobicContact CD1-CD1 3.61Å; L154-F238 HydrophobicContact CD1-CE1 4.21Å; L154-F238 HydrophobicContact CD1-CG 3.81Å; L154-F238 HydrophobicContact CD2-CD1 3.84Å; L154-F238 HydrophobicContact CD2-CD2 3.75Å; L154-F238 HydrophobicContact CD2-CE1 3.8Å; L154-F238 HydrophobicContact CD2-CE2 3.72Å; L154-F238 HydrophobicContact CD2-CG 3.8Å; L154-F238 HydrophobicContact CD2-CZ 3.73Å; L154-F238 HydrophobicContact CG-CD1 4.31Å; L154-F238 HydrophobicContact CG-CG 4.25Å; L154-F239 HydrophobicContact CD1-CE2 3.97Å |
| 155 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 175.3 | -176 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | S158 Y193 V195 | S155-S158 WeakPolarHBondContact CB-OG 3.47Å; S155-S158 WeakPolarHBondContact OG-CB 3.42Å; S155-S158 PolarHBondContact OG-OG 3.47Å; S155-Y193 PolarHBondContact N-O 3.41Å; S155-Y193 VanDerWaalsContact N-O 3.12Å; S155-V195 WeakPolarHBondContact O-CB 3.34Å; S155-V195 WeakPolarHBondContact O-CG2 3.36Å; S155-V195 PolarHBondContact O-N 3.14Å |
| 156 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -138.7 | 121.4 | 176.5 | -171.3 | -83 | 0 | 0 | 0 | 109.2 | S158 V195 K196 M199 L209 V212 T234 E278 | F156-S158 VanDerWaalsContact C-N 3.32Å; F156-S158 PolarHBondContact O-N 2.68Å; F156-V195 HydrophobicContact CD2-CB 3.81Å; F156-V195 HydrophobicContact CD2-CG1 3.69Å; F156-V195 HydrophobicContact CE2-CG1 4.05Å; F156-K196 HydrophobicContact CE1-CB 4.5Å; F156-K196 HydrophobicContact CE1-CD 3.77Å; F156-K196 HydrophobicContact CE2-CB 4.46Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CZ-CB 4.47Å; F156-K196 HydrophobicContact CZ-CD 3.52Å; F156-M199 HydrophobicContact CE2-SD 3.63Å; F156-M199 HydrophobicContact CZ-SD 4.16Å; F156-L209 HydrophobicContact CB-CD1 4.41Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.44Å; F156-L209 HydrophobicContact CD2-CD1 3.82Å; F156-L209 HydrophobicContact CE1-CB 3.93Å; F156-L209 VanDerWaalsContact CE1-N 3.29Å; F156-L209 HydrophobicContact CE2-CB 4.42Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.22Å; F156-L209 HydrophobicContact CG-CD1 4.07Å; F156-L209 HydrophobicContact CZ-CB 4.16Å; F156-L209 VanDerWaalsContact CZ-N 3.31Å; F156-V212 HydrophobicContact CE2-CB 4.44Å; F156-V212 HydrophobicContact CE2-CG2 4.13Å; F156-V212 HydrophobicContact CZ-CG2 4.19Å; F156-T234 HydrophobicContact CB-CG2 4.26Å; F156-E278 WeakPolarHBondContact CE1-OE1 3.4Å |
| 157 | H | 97.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 53.2 | 48.7 | 177.7 | -155.3 | 151.5 | 0 | 0 | 0 | 113.1 | G159 D194 K196 Y260 N275 A276 Y277 E278 | H157-G159 PolarHBondContact O-N 3.2Å; H157-D194 PolarHBondContact N-OD1 3.39Å; H157-D194 PolarHBondContact N-OD2 3.32Å; H157-K196 HydrophobicContact CB-CB 4.22Å; H157-K196 HydrophobicContact CB-CG 4.26Å; H157-Y260 AromaticContact CD2-CD1 3.67Å; H157-Y260 AromaticContact CE1-CD1 3.8Å; H157-Y260 AromaticContact CE1-CE1 3.8Å; H157-Y260 AromaticContact CG-CD1 3.98Å; H157-Y260 AromaticContact NE2-CD1 3.55Å; H157-Y260 AromaticContact NE2-CE1 3.91Å; H157-N275 PolarHBondContact CE1-O 3.18Å; H157-N275 PolarHBondContact NE2-O 2.89Å; H157-A276 PolarHBondContact CD2-O 2.96Å; H157-A276 PolarHBondContact NE2-O 2.89Å; H157-Y277 PolarHBondContact CE1-O 3.05Å; H157-Y277 VanDerWaalsContact CE1-O 3.29Å; H157-Y277 PolarHBondContact NE2-O 2.91Å; H157-E278 HydrophobicContact CB-CB 4.29Å |
| 158 | S | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -100.2 | 21.2 | -148.7 | 59.1 | 0 | 0 | 0 | 0 | 116.7 | S155 F156 Y160 D161 F162 D194 | S155-S158 WeakPolarHBondContact CB-OG 3.47Å; S155-S158 WeakPolarHBondContact OG-CB 3.42Å; S155-S158 PolarHBondContact OG-OG 3.47Å; F156-S158 VanDerWaalsContact C-N 3.32Å; F156-S158 PolarHBondContact O-N 2.68Å; S158-Y160 PolarHBondContact O-N 2.97Å; S158-D161 VanDerWaalsContact CA-OD2 3.23Å; S158-D161 WeakPolarHBondContact CA-OD2 3.28Å; S158-D161 WeakPolarHBondContact CB-OD2 3.41Å; S158-D161 PolarHBondContact O-N 3.29Å; S158-F162 WeakPolarHBondContact O-CD2 3.48Å; S158-F162 PolarHBondContact O-N 2.7Å; S158-D194 PolarHBondContact N-OD2 2.87Å; S158-D194 PolarHBondContact OG-OD2 2.88Å | ||
| 159 | G | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.5 | -55.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L65 H157 G163 | L65-G159 WeakPolarHBondContact CD1-O 3.46Å; H157-G159 PolarHBondContact O-N 3.2Å; G159-G163 PolarHBondContact O-N 3.09Å |
| 160 | Y | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 2% | 0.024 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | -178.2 | -82 | -107.9 | 0 | 0 | 0 | 112.5 | F43 V46 L65 N68 V69 S158 F162 G163 Y164 Y277 | F43-Y160 HydrophobicContact CE1-CG 4.48Å; F43-Y160 AromaticContact CE2-CD1 3.74Å; F43-Y160 HydrophobicContact CE2-CD1 3.74Å; F43-Y160 HydrophobicContact CE2-CE1 4.35Å; F43-Y160 HydrophobicContact CE2-CG 4.36Å; F43-Y160 AromaticContact CZ-CD1 3.64Å; F43-Y160 HydrophobicContact CZ-CD1 3.64Å; F43-Y160 AromaticContact CZ-CG 3.78Å; F43-Y160 HydrophobicContact CZ-CG 3.78Å; V46-Y160 HydrophobicContact CG2-CE1 3.81Å; V46-Y160 WeakPolarHBondContact CG2-OH 3.38Å; L65-Y160 WeakPolarHBondContact CA-OH 3.29Å; L65-Y160 HydrophobicContact CB-CD2 4.3Å; L65-Y160 HydrophobicContact CB-CE1 4.49Å; L65-Y160 HydrophobicContact CB-CE2 3.82Å; L65-Y160 HydrophobicContact CD1-CD2 4.04Å; L65-Y160 HydrophobicContact CD1-CE2 4.32Å; L65-Y160 HydrophobicContact CG-CD1 4.39Å; L65-Y160 HydrophobicContact CG-CD2 3.95Å; L65-Y160 HydrophobicContact CG-CE1 4.46Å; L65-Y160 HydrophobicContact CG-CE2 3.99Å; L65-Y160 HydrophobicContact CG-CG 4.16Å; N68-Y160 HydrophobicContact CB-CE1 4.1Å; V69-Y160 HydrophobicContact CG2-CD1 3.83Å; V69-Y160 HydrophobicContact CG2-CE1 4.34Å; S158-Y160 PolarHBondContact O-N 2.97Å; Y160-F162 PolarHBondContact O-N 3.31Å; Y160-G163 CarbonylContact O-C 3.57Å; Y160-G163 WeakPolarHBondContact O-CA 3.49Å; Y160-G163 PolarHBondContact O-N 3.44Å; Y160-G163 VanDerWaalsContact O-N 3.07Å; Y160-Y164 VanDerWaalsContact O-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.23Å; Y160-Y164 PolarHBondContact O-N 3.14Å; Y160-Y277 HydrophobicContact CD1-CD2 4.38Å; Y160-Y277 HydrophobicContact CD2-CD2 4.11Å; Y160-Y277 HydrophobicContact CE1-CD2 4.16Å; Y160-Y277 AromaticContact CE2-CD2 3.9Å; Y160-Y277 HydrophobicContact CE2-CD2 3.9Å; Y160-Y277 HydrophobicContact CE2-CG 4.21Å; Y160-Y277 HydrophobicContact CG-CD2 4.35Å; Y160-Y277 AromaticContact CZ-CD2 3.9Å |
| 161 | D | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.5 | -51.1 | 179.5 | -54 | -40 | 0 | 0 | 0 | 111.8 | M39 T41 S158 G163 Y164 L165 | M39-D161 HydrophobicContact CE-CB 3.6Å; M39-D161 HydrophobicContact SD-CB 3.68Å; T41-D161 WeakPolarHBondContact CB-OD1 3.31Å; T41-D161 HydrophobicContact CG2-CB 3.97Å; T41-D161 PolarHBondContact N-OD1 3.37Å; T41-D161 PolarHBondContact OG1-OD1 3.29Å; S158-D161 VanDerWaalsContact CA-OD2 3.23Å; S158-D161 WeakPolarHBondContact CA-OD2 3.28Å; S158-D161 WeakPolarHBondContact CB-OD2 3.41Å; S158-D161 PolarHBondContact O-N 3.29Å; D161-G163 VanDerWaalsContact C-N 3.29Å; D161-G163 PolarHBondContact O-N 3Å; D161-Y164 PolarHBondContact O-N 3.37Å; D161-L165 PolarHBondContact O-N 3.14Å |
| 162 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.1 | -30.4 | 176.2 | -77.3 | -64.7 | 0 | 0 | 0 | 112.2 | M39 W153 S158 Y160 L165 I166 F181 L185 F189 I192 L259 | M39-F162 HydrophobicContact CE-CD1 4.25Å; M39-F162 HydrophobicContact CE-CD2 4.37Å; M39-F162 HydrophobicContact CE-CE1 3.96Å; M39-F162 HydrophobicContact CE-CE2 4.09Å; M39-F162 HydrophobicContact CE-CG 4.45Å; M39-F162 HydrophobicContact CE-CZ 3.87Å; W153-F162 HydrophobicContact CB-CZ 4.15Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; S158-F162 WeakPolarHBondContact O-CD2 3.48Å; S158-F162 PolarHBondContact O-N 2.7Å; Y160-F162 PolarHBondContact O-N 3.31Å; F162-L165 HydrophobicContact CD1-CD1 4.26Å; F162-L165 HydrophobicContact CE1-CD1 4.46Å; F162-L165 PolarHBondContact O-N 2.86Å; F162-I166 WeakPolarHBondContact O-CB 3.27Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.12Å; F162-I166 PolarHBondContact O-N 3.39Å; F162-F181 HydrophobicContact CB-CZ 4.47Å; F162-L185 HydrophobicContact CB-CD1 3.7Å; F162-L185 HydrophobicContact CD1-CD1 3.83Å; F162-L185 HydrophobicContact CG-CD1 3.9Å; F162-F189 HydrophobicContact CD1-CD1 4.41Å; F162-F189 AromaticContact CD1-CD2 3.94Å; F162-F189 HydrophobicContact CD1-CD2 3.94Å; F162-F189 HydrophobicContact CD1-CE1 4.48Å; F162-F189 HydrophobicContact CD1-CE2 4.02Å; F162-F189 HydrophobicContact CD1-CG 4.15Å; F162-F189 HydrophobicContact CD1-CZ 4.3Å; F162-F189 HydrophobicContact CE1-CB 4.34Å; F162-F189 AromaticContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD2 4.13Å; F162-F189 HydrophobicContact CE1-CE1 4.17Å; F162-F189 HydrophobicContact CE1-CE2 4.42Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.44Å; F162-I192 HydrophobicContact CD1-CD1 4.23Å; F162-I192 HydrophobicContact CD2-CD1 4.36Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.11Å; F162-I192 HydrophobicContact CE2-CD1 4.01Å; F162-I192 HydrophobicContact CE2-CG1 4.23Å; F162-I192 HydrophobicContact CE2-CG2 3.53Å; F162-I192 HydrophobicContact CG-CD1 4.48Å; F162-I192 HydrophobicContact CZ-CB 4.36Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.71Å; F162-I192 HydrophobicContact CZ-CG2 3.7Å; F162-L259 HydrophobicContact CB-CD1 4.33Å; F162-L259 HydrophobicContact CD2-CD1 4.19Å; F162-L259 HydrophobicContact CD2-CD2 3.69Å; F162-L259 HydrophobicContact CE2-CD2 3.92Å |
| 163 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.5 | -53.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | G159 Y160 D161 L165 I166 K167 L174 | G159-G163 PolarHBondContact O-N 3.09Å; Y160-G163 CarbonylContact O-C 3.57Å; Y160-G163 WeakPolarHBondContact O-CA 3.49Å; Y160-G163 PolarHBondContact O-N 3.44Å; Y160-G163 VanDerWaalsContact O-N 3.07Å; D161-G163 VanDerWaalsContact C-N 3.29Å; D161-G163 PolarHBondContact O-N 3Å; G163-L165 PolarHBondContact O-N 2.66Å; G163-I166 PolarHBondContact O-N 3.47Å; G163-K167 WeakPolarHBondContact O-CB 3.02Å; G163-K167 PolarHBondContact O-N 3.3Å; G163-L174 WeakPolarHBondContact O-CD2 3.43Å |
| 164 | Y | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.1 | -80.2 | -73.1 | 0 | 0 | 0 | 112.3 | F43 V69 L72 I74 Y160 D161 I166 K167 I168 | F43-Y164 HydrophobicContact CB-CD2 4.36Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.56Å; F43-Y164 WeakPolarHBondContact CB-OH 3.4Å; F43-Y164 AromaticContact CD1-CD2 4Å; F43-Y164 HydrophobicContact CD1-CD2 4Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.61Å; F43-Y164 HydrophobicContact CD2-CE2 3.61Å; F43-Y164 AromaticContact CD2-CZ 3.92Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.34Å; F43-Y164 HydrophobicContact CE1-CD2 4.49Å; F43-Y164 HydrophobicContact CE1-CE2 4.04Å; F43-Y164 HydrophobicContact CE2-CE2 4.12Å; F43-Y164 HydrophobicContact CG-CD2 4.16Å; F43-Y164 AromaticContact CG-CE2 3.27Å; F43-Y164 HydrophobicContact CG-CE2 3.27Å; F43-Y164 AromaticContact CG-CZ 3.73Å; F43-Y164 HydrophobicContact CZ-CE2 4.32Å; V69-Y164 HydrophobicContact CG1-CD1 4.13Å; V69-Y164 HydrophobicContact CG1-CE1 4.35Å; V69-Y164 HydrophobicContact CG1-CG 4.29Å; V69-Y164 HydrophobicContact CG2-CD2 4.24Å; V69-Y164 HydrophobicContact CG2-CE2 4.04Å; L72-Y164 WeakPolarHBondContact CB-OH 3.39Å; I74-Y164 HydrophobicContact CB-CD1 3.89Å; I74-Y164 HydrophobicContact CB-CE1 4.34Å; I74-Y164 HydrophobicContact CB-CG 4.29Å; Y160-Y164 VanDerWaalsContact O-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.23Å; Y160-Y164 PolarHBondContact O-N 3.14Å; D161-Y164 PolarHBondContact O-N 3.37Å; Y164-I166 PolarHBondContact O-N 3.36Å; Y164-K167 PolarHBondContact O-N 2.84Å; Y164-I168 WeakPolarHBondContact O-CB 3.32Å; Y164-I168 WeakPolarHBondContact O-CD1 3.16Å; Y164-I168 WeakPolarHBondContact O-CG1 3.33Å; Y164-I168 PolarHBondContact O-N 2.88Å |
| 165 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.1 | -72.1 | 178 | 0 | 0 | 0 | 112.3 | M39 L77 W153 D161 F162 G163 I168 L169 F189 | M39-L165 HydrophobicContact CE-CD1 3.75Å; M39-L165 HydrophobicContact CG-CD1 4.41Å; M39-L165 HydrophobicContact SD-CD1 4.15Å; L77-L165 HydrophobicContact CD1-CD2 4.1Å; L77-L165 HydrophobicContact CD2-CD2 3.93Å; W153-L165 HydrophobicContact CZ3-CD1 4.12Å; D161-L165 PolarHBondContact O-N 3.14Å; F162-L165 HydrophobicContact CD1-CD1 4.26Å; F162-L165 HydrophobicContact CE1-CD1 4.46Å; F162-L165 PolarHBondContact O-N 2.86Å; G163-L165 PolarHBondContact O-N 2.66Å; L165-I168 PolarHBondContact O-N 3.42Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 WeakPolarHBondContact O-CD1 3.22Å; L165-L169 VanDerWaalsContact O-CG 3.23Å; L165-L169 WeakPolarHBondContact O-CG 3.03Å; L165-L169 PolarHBondContact O-N 3.42Å; L165-F189 HydrophobicContact CB-CE2 4.28Å; L165-F189 HydrophobicContact CB-CZ 3.85Å; L165-F189 HydrophobicContact CD1-CE1 4.14Å; L165-F189 HydrophobicContact CD1-CZ 3.88Å; L165-F189 HydrophobicContact CG-CZ 4.46Å |
| 166 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 176.4 | -68.5 | -66.8 | 0 | 0 | 0 | 111.4 | F162 G163 Y164 I168 L169 S170 L174 F181 I184 L185 Y188 F189 | F162-I166 WeakPolarHBondContact O-CB 3.27Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.12Å; F162-I166 PolarHBondContact O-N 3.39Å; G163-I166 PolarHBondContact O-N 3.47Å; Y164-I166 PolarHBondContact O-N 3.36Å; I166-I168 VanDerWaalsContact C-N 3.3Å; I166-I168 PolarHBondContact O-N 3.04Å; I166-L169 PolarHBondContact O-N 3.11Å; I166-S170 VanDerWaalsContact O-CB 3.25Å; I166-S170 WeakPolarHBondContact O-CB 3.31Å; I166-S170 PolarHBondContact O-N 3.45Å; I166-S170 PolarHBondContact O-OG 3.42Å; I166-L174 HydrophobicContact CB-CD2 3.88Å; I166-L174 HydrophobicContact CG2-CD2 3.59Å; I166-F181 HydrophobicContact CB-CE2 4.2Å; I166-F181 HydrophobicContact CG1-CE2 4.05Å; I166-F181 HydrophobicContact CG2-CD2 4.47Å; I166-F181 HydrophobicContact CG2-CE2 4.45Å; I166-I184 HydrophobicContact CD1-CG2 4.47Å; I166-I184 HydrophobicContact CG2-CG2 3.94Å; I166-L185 HydrophobicContact CD1-CD1 4.16Å; I166-L185 HydrophobicContact CG1-CD1 3.88Å; I166-Y188 HydrophobicContact CD1-CD2 3.58Å; I166-Y188 HydrophobicContact CD1-CE2 4.36Å; I166-Y188 HydrophobicContact CD1-CG 4.11Å; I166-F189 HydrophobicContact CD1-CD2 4.2Å; I166-F189 HydrophobicContact CD1-CE2 3.79Å; I166-F189 HydrophobicContact CG1-CE2 4.27Å |
| 167 | K | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 31 Ų | 31 | 19% | 0.191 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.5 | -47.8 | 173.5 | 172.6 | -179 | -179.7 | 176.1 | 0 | 111.3 | V69 D70 L72 G163 Y164 N171 A172 L174 | V69-K167 HydrophobicContact CG1-CB 4.13Å; V69-K167 HydrophobicContact CG1-CD 3.97Å; V69-K167 VanDerWaalsContact O-CD 3.23Å; V69-K167 WeakPolarHBondContact O-CD 3.37Å; V69-K167 WeakPolarHBondContact O-CE 3.42Å; V69-K167 PolarHBondContact O-NZ 3.42Å; D70-K167 PolarHBondContact O-NZ 3.02Å; L72-K167 PolarHBondContact O-NZ 3.36Å; G163-K167 WeakPolarHBondContact O-CB 3.02Å; G163-K167 PolarHBondContact O-N 3.3Å; Y164-K167 PolarHBondContact O-N 2.84Å; K167-N171 WeakPolarHBondContact O-CA 3.36Å; K167-N171 PolarHBondContact O-N 2.95Å; K167-A172 PolarHBondContact O-N 3.07Å; K167-L174 HydrophobicContact CB-CD2 4.31Å |
| 168 | I | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.1 | -48.3 | -178.1 | -69.3 | 164.6 | 0 | 0 | 0 | 111.2 | I74 T133 F136 A137 Y164 L165 I166 N171 | I74-I168 HydrophobicContact CB-CD1 4.44Å; I74-I168 HydrophobicContact CD1-CD1 4.2Å; I74-I168 HydrophobicContact CG2-CD1 3.75Å; T133-I168 HydrophobicContact CG2-CD1 4.31Å; T133-I168 HydrophobicContact CG2-CG1 4.43Å; F136-I168 HydrophobicContact CD1-CG2 4.25Å; A137-I168 HydrophobicContact CB-CG2 3.77Å; Y164-I168 WeakPolarHBondContact O-CB 3.32Å; Y164-I168 WeakPolarHBondContact O-CD1 3.16Å; Y164-I168 WeakPolarHBondContact O-CG1 3.33Å; Y164-I168 PolarHBondContact O-N 2.88Å; L165-I168 PolarHBondContact O-N 3.42Å; I166-I168 VanDerWaalsContact C-N 3.3Å; I166-I168 PolarHBondContact O-N 3.04Å; I168-N171 PolarHBondContact O-N 3.46Å |
| 169 | L | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -34.5 | -175.1 | -72.1 | 167.3 | 0 | 0 | 0 | 113.3 | L140 M141 V146 L165 I166 Y188 F189 | L140-L169 HydrophobicContact CD2-CD2 4.25Å; M141-L169 HydrophobicContact CE-CB 4.39Å; M141-L169 HydrophobicContact CE-CD2 4.02Å; M141-L169 WeakPolarHBondContact CE-O 3.33Å; V146-L169 HydrophobicContact CG1-CD1 4.12Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 WeakPolarHBondContact O-CD1 3.22Å; L165-L169 VanDerWaalsContact O-CG 3.23Å; L165-L169 WeakPolarHBondContact O-CG 3.03Å; L165-L169 PolarHBondContact O-N 3.42Å; I166-L169 PolarHBondContact O-N 3.11Å; L169-Y188 HydrophobicContact CB-CD1 4.15Å; L169-Y188 HydrophobicContact CB-CE1 3.76Å; L169-Y188 HydrophobicContact CD1-CD1 3.77Å; L169-Y188 HydrophobicContact CD1-CE1 4.22Å; L169-Y188 HydrophobicContact CD1-CG 4.22Å; L169-Y188 HydrophobicContact CG-CD1 4.43Å; L169-Y188 HydrophobicContact CG-CE1 4.39Å; L169-Y188 PolarHBondContact O-OH 3.06Å; L169-F189 HydrophobicContact CD1-CE2 4.17Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å |
| 170 | S | 98.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -82.1 | -17.4 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | I166 A172 | I166-S170 VanDerWaalsContact O-CB 3.25Å; I166-S170 WeakPolarHBondContact O-CB 3.31Å; I166-S170 PolarHBondContact O-N 3.45Å; I166-S170 PolarHBondContact O-OG 3.42Å; S170-A172 PolarHBondContact O-N 3.48Å; S170-A172 PolarHBondContact OG-N 3.01Å |
| 171 | N | 98 | Very high | 97.6 | Very high | 112 Ų | 112 | 38.8 Ų | 38.8 | 60% | 0.599 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 43.2 | -170 | -173.2 | 23.2 | 0 | 0 | 0 | 112 | L134 K167 I168 | L134-N171 HydrophobicContact CD2-CB 3.92Å; L134-N171 VanDerWaalsContact CD2-OD1 3.23Å; L134-N171 WeakPolarHBondContact CD2-OD1 3.42Å; K167-N171 WeakPolarHBondContact O-CA 3.36Å; K167-N171 PolarHBondContact O-N 2.95Å; I168-N171 PolarHBondContact O-N 3.46Å |
| 172 | A | 98.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -145.7 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K167 S170 | K167-A172 PolarHBondContact O-N 3.07Å; S170-A172 PolarHBondContact O-N 3.48Å; S170-A172 PolarHBondContact OG-N 3.01Å |
| 173 | N | 98.5 | Very high | 97.4 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 152.8 | 164.1 | -71.3 | -9 | 0 | 0 | 0 | 109.6 | D70 | D70-N173 WeakPolarHBondContact OD1-CA 3.34Š|
| 174 | L | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.8 | 177.9 | -64.3 | -178.4 | 0 | 0 | 0 | 111.2 | L65 R66 V69 D70 G163 I166 K167 F181 | L65-L174 HydrophobicContact CD2-CD1 3.56Å; R66-L174 HydrophobicContact CG-CB 4.07Å; V69-L174 HydrophobicContact CB-CD1 3.94Å; V69-L174 HydrophobicContact CG1-CD1 3.75Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; D70-L174 PolarHBondContact OD1-N 3Å; G163-L174 WeakPolarHBondContact O-CD2 3.43Å; I166-L174 HydrophobicContact CB-CD2 3.88Å; I166-L174 HydrophobicContact CG2-CD2 3.59Å; K167-L174 HydrophobicContact CB-CD2 4.31Å; L174-F181 HydrophobicContact CD2-CD2 4.24Å; L174-F181 HydrophobicContact CD2-CE2 4.27Å |
| 175 | P | 98.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 152.1 | 177.6 | -28.9 | 37.8 | 0 | 0 | 0 | 113.3 | Y62 R66 D180 F181 I184 | Y62-P175 PolarHBondContact OH-O 2.8Å; R66-P175 WeakPolarHBondContact CD-O 3.45Å; P175-D180 HydrophobicContact CB-CB 3.63Å; P175-D180 HydrophobicContact CG-CB 4.31Å; P175-F181 HydrophobicContact CB-CB 4.49Å; P175-F181 HydrophobicContact CG-CB 4.32Å; P175-I184 HydrophobicContact CG-CG2 4.21Å |
| 176 | E | 95.3 | Very high | 97.3 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -71.3 | -34.8 | -177.7 | -68.3 | -173.3 | 178.7 | 0 | 0 | 112.6 | Q63 | Q63-E176 PolarHBondContact NE2-O 3.32Š|
| 177 | E | 93.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -108.3 | 141.6 | -177.6 | -62.5 | -84 | 165.2 | 0 | 0 | 110.7 | R55 V179 D180 F181 | R55-E177 IonicContact CZ-OE1 3.55Å; R55-E177 IonicContact CZ-OE2 2.83Å; R55-E177 IonicContact NH1-OE1 2.8Å; R55-E177 IonicContact NH1-OE2 3.15Å; R55-E177 PolarHBondContact NH1-OE2 3.11Å; R55-E177 IonicContact NH2-OE1 3.59Å; R55-E177 PolarHBondContact NH2-OE1 2.88Å; R55-E177 IonicContact NH2-OE2 3.82Å; E177-V179 HydrophobicContact CB-CG1 4.22Å; E177-V179 PolarHBondContact O-N 2.79Å; E177-D180 PolarHBondContact O-N 3.42Å; E177-D180 VanDerWaalsContact O-N 3.15Å; E177-F181 PolarHBondContact O-N 2.68Å |
| 178 | E | 94.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -36.1 | -175.9 | -178.3 | 179.5 | -144.3 | 0 | 0 | 112.5 | Y62 D180 F181 F182 G263 | Y62-E178 HydrophobicContact CD1-CB 3.69Å; Y62-E178 HydrophobicContact CD1-CG 4.44Å; Y62-E178 HydrophobicContact CD2-CB 4.15Å; Y62-E178 HydrophobicContact CD2-CG 4.03Å; Y62-E178 HydrophobicContact CE1-CB 4.28Å; Y62-E178 HydrophobicContact CG-CB 3.63Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; E178-D180 VanDerWaalsContact C-N 3.33Å; E178-D180 PolarHBondContact O-N 3.12Å; E178-F181 WeakPolarHBondContact O-CB 3.44Å; E178-F181 PolarHBondContact O-N 2.84Å; E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.22Å; E178-F182 PolarHBondContact O-N 3.19Å; E178-G263 PolarHBondContact OE1-N 2.98Å |
| 179 | V | 94.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 179.6 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | E177 F181 F182 E183 | E177-V179 HydrophobicContact CB-CG1 4.22Å; E177-V179 PolarHBondContact O-N 2.79Å; V179-F181 VanDerWaalsContact C-N 3.31Å; V179-F181 PolarHBondContact O-N 2.69Å; V179-F182 PolarHBondContact O-N 3.17Å; V179-E183 WeakPolarHBondContact O-CG 3.33Å; V179-E183 PolarHBondContact O-N 3.45Å |
| 180 | D | 96.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 61 Ų | 61 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | -179.4 | -60.1 | -26.2 | 0 | 0 | 0 | 110.9 | P175 E177 E178 E183 I184 | P175-D180 HydrophobicContact CB-CB 3.63Å; P175-D180 HydrophobicContact CG-CB 4.31Å; E177-D180 PolarHBondContact O-N 3.42Å; E177-D180 VanDerWaalsContact O-N 3.15Å; E178-D180 VanDerWaalsContact C-N 3.33Å; E178-D180 PolarHBondContact O-N 3.12Å; D180-E183 PolarHBondContact O-N 3.48Å; D180-I184 PolarHBondContact O-N 3.26Å; D180-I184 VanDerWaalsContact O-N 3.1Å |
| 181 | F | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 170.5 | 168.4 | -99.2 | 0 | 0 | 0 | 112.1 | Y62 F162 I166 L174 P175 E177 E178 V179 E183 I184 L185 L259 | Y62-F181 HydrophobicContact CD2-CD1 4.36Å; Y62-F181 HydrophobicContact CE2-CB 3.57Å; Y62-F181 AromaticContact CE2-CD1 3.8Å; Y62-F181 HydrophobicContact CE2-CD1 3.8Å; Y62-F181 HydrophobicContact CE2-CD2 4.14Å; Y62-F181 AromaticContact CE2-CG 3.56Å; Y62-F181 HydrophobicContact CE2-CG 3.56Å; Y62-F181 VanDerWaalsContact OH-CB 3.3Å; Y62-F181 WeakPolarHBondContact OH-CB 3.36Å; F162-F181 HydrophobicContact CB-CZ 4.47Å; I166-F181 HydrophobicContact CB-CE2 4.2Å; I166-F181 HydrophobicContact CG1-CE2 4.05Å; I166-F181 HydrophobicContact CG2-CD2 4.47Å; I166-F181 HydrophobicContact CG2-CE2 4.45Å; L174-F181 HydrophobicContact CD2-CD2 4.24Å; L174-F181 HydrophobicContact CD2-CE2 4.27Å; P175-F181 HydrophobicContact CB-CB 4.49Å; P175-F181 HydrophobicContact CG-CB 4.32Å; E177-F181 PolarHBondContact O-N 2.68Å; E178-F181 WeakPolarHBondContact O-CB 3.44Å; E178-F181 PolarHBondContact O-N 2.84Å; V179-F181 VanDerWaalsContact C-N 3.31Å; V179-F181 PolarHBondContact O-N 2.69Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.44Å; F181-I184 WeakPolarHBondContact O-CG2 3.31Å; F181-I184 PolarHBondContact O-N 2.87Å; F181-L185 HydrophobicContact CE1-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CD1 4.24Å; F181-L185 HydrophobicContact CZ-CD2 4.38Å; F181-L185 WeakPolarHBondContact O-CB 3.41Å; F181-L185 PolarHBondContact O-N 2.92Å; F181-L259 HydrophobicContact CE1-CD1 4.24Å |
| 182 | F | 96.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -30.3 | 177.1 | -84.3 | -78 | 0 | 0 | 0 | 112.9 | E178 V179 L185 R186 L259 L262 | E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.22Å; E178-F182 PolarHBondContact O-N 3.19Å; V179-F182 PolarHBondContact O-N 3.17Å; F182-L185 HydrophobicContact CD1-CD2 3.84Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; F182-R186 WeakPolarHBondContact O-CD 3.28Å; F182-R186 WeakPolarHBondContact O-CG 3.39Å; F182-R186 PolarHBondContact O-N 3.31Å; F182-R186 VanDerWaalsContact O-N 3.14Å; F182-L259 HydrophobicContact CE1-CD1 4.2Å; F182-L259 HydrophobicContact CE1-CG 4.08Å; F182-L259 HydrophobicContact CZ-CD1 4.29Å; F182-L259 HydrophobicContact CZ-CG 4.31Å; F182-L262 HydrophobicContact CE2-CB 4.17Å; F182-L262 HydrophobicContact CZ-CB 3.95Å |
| 183 | E | 97.2 | Very high | 97.3 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.2 | -51 | 173 | -73.9 | -173.9 | 179.1 | 0 | 0 | 111.4 | V179 D180 F181 | V179-E183 WeakPolarHBondContact O-CG 3.33Å; V179-E183 PolarHBondContact O-N 3.45Å; D180-E183 PolarHBondContact O-N 3.48Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.44Å |
| 184 | I | 97.9 | Very high | 97.3 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.1 | -36.7 | 178 | -167 | 167.7 | 0 | 0 | 0 | 112.1 | I166 P175 D180 F181 R186 L187 Y188 | I166-I184 HydrophobicContact CD1-CG2 4.47Å; I166-I184 HydrophobicContact CG2-CG2 3.94Å; P175-I184 HydrophobicContact CG-CG2 4.21Å; D180-I184 PolarHBondContact O-N 3.26Å; D180-I184 VanDerWaalsContact O-N 3.1Å; F181-I184 WeakPolarHBondContact O-CG2 3.31Å; F181-I184 PolarHBondContact O-N 2.87Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 2.78Å; I184-L187 WeakPolarHBondContact O-CB 3.47Å; I184-L187 PolarHBondContact O-N 3.31Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-Y188 HydrophobicContact CD1-CE2 4.01Å; I184-Y188 HydrophobicContact CG1-CD2 3.9Å; I184-Y188 HydrophobicContact CG1-CE2 3.69Å; I184-Y188 WeakPolarHBondContact O-CD2 3.44Å; I184-Y188 PolarHBondContact O-N 2.83Å |
| 185 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56 | -46.8 | 177.6 | -177 | 73.6 | 0 | 0 | 0 | 111.3 | F162 I166 F181 F182 L187 Y188 F189 I192 L259 | F162-L185 HydrophobicContact CB-CD1 3.7Å; F162-L185 HydrophobicContact CD1-CD1 3.83Å; F162-L185 HydrophobicContact CG-CD1 3.9Å; I166-L185 HydrophobicContact CD1-CD1 4.16Å; I166-L185 HydrophobicContact CG1-CD1 3.88Å; F181-L185 HydrophobicContact CE1-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CD1 4.24Å; F181-L185 HydrophobicContact CZ-CD2 4.38Å; F181-L185 WeakPolarHBondContact O-CB 3.41Å; F181-L185 PolarHBondContact O-N 2.92Å; F182-L185 HydrophobicContact CD1-CD2 3.84Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; L185-L187 PolarHBondContact O-N 2.62Å; L185-Y188 PolarHBondContact O-N 3.04Å; L185-F189 HydrophobicContact CD1-CD2 3.68Å; L185-F189 HydrophobicContact CD1-CE2 4.25Å; L185-F189 HydrophobicContact CG-CD2 4.45Å; L185-F189 PolarHBondContact O-N 2.85Å; L185-I192 HydrophobicContact CD1-CD1 4.14Å; L185-I192 HydrophobicContact CD2-CD1 3.86Å; L185-I192 HydrophobicContact CG-CD1 3.9Å; L185-L259 HydrophobicContact CD2-CD1 3.88Å; L185-L259 HydrophobicContact CD2-CG 4.45Å |
| 186 | R | 97.6 | Very high | 97.2 | Very high | 156 Ų | 156 | 47.5 Ų | 47.5 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.4 | -23.9 | -179 | -72.3 | 170.3 | -173.2 | -174.2 | 3.5 | 113.6 | F182 I184 P190 | F182-R186 WeakPolarHBondContact O-CD 3.28Å; F182-R186 WeakPolarHBondContact O-CG 3.39Å; F182-R186 PolarHBondContact O-N 3.31Å; F182-R186 VanDerWaalsContact O-N 3.14Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 2.78Å; R186-P190 WeakPolarHBondContact O-CA 3.3Å |
| 187 | L | 97.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 42.1 Ų | 42.1 | 62% | 0.618 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -70.5 | -50.5 | 173.6 | -62.8 | 176.1 | 0 | 0 | 0 | 110.2 | L147 I184 L185 | L147-L187 WeakPolarHBondContact CD2-O 3.45Å; I184-L187 WeakPolarHBondContact O-CB 3.47Å; I184-L187 PolarHBondContact O-N 3.31Å; I184-L187 VanDerWaalsContact O-N 3.14Å; L185-L187 PolarHBondContact O-N 2.62Å |
| 188 | Y | 98.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 39 Ų | 39 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.9 | -37 | -178.9 | -76.4 | -77.3 | 0 | 0 | 0 | 113.1 | M141 V146 L147 I166 L169 I184 L185 | M141-Y188 HydrophobicContact CE-CE1 3.81Å; M141-Y188 HydrophobicContact SD-CE1 3.86Å; V146-Y188 HydrophobicContact CB-CD1 4.39Å; V146-Y188 HydrophobicContact CG2-CD1 4.45Å; L147-Y188 HydrophobicContact CD1-CD1 4.37Å; L147-Y188 HydrophobicContact CD1-CE1 4.17Å; L147-Y188 HydrophobicContact CD2-CD1 3.69Å; L147-Y188 HydrophobicContact CD2-CE1 3.96Å; L147-Y188 HydrophobicContact CD2-CG 4.11Å; L147-Y188 HydrophobicContact CG-CD1 3.83Å; L147-Y188 HydrophobicContact CG-CE1 4.12Å; L147-Y188 PolarHBondContact N-O 2.9Å; I166-Y188 HydrophobicContact CD1-CD2 3.58Å; I166-Y188 HydrophobicContact CD1-CE2 4.36Å; I166-Y188 HydrophobicContact CD1-CG 4.11Å; L169-Y188 HydrophobicContact CB-CD1 4.15Å; L169-Y188 HydrophobicContact CB-CE1 3.76Å; L169-Y188 HydrophobicContact CD1-CD1 3.77Å; L169-Y188 HydrophobicContact CD1-CE1 4.22Å; L169-Y188 HydrophobicContact CD1-CG 4.22Å; L169-Y188 HydrophobicContact CG-CD1 4.43Å; L169-Y188 HydrophobicContact CG-CE1 4.39Å; L169-Y188 PolarHBondContact O-OH 3.06Å; I184-Y188 HydrophobicContact CD1-CE2 4.01Å; I184-Y188 HydrophobicContact CG1-CD2 3.9Å; I184-Y188 HydrophobicContact CG1-CE2 3.69Å; I184-Y188 WeakPolarHBondContact O-CD2 3.44Å; I184-Y188 PolarHBondContact O-N 2.83Å; L185-Y188 PolarHBondContact O-N 3.04Å |
| 189 | F | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | trans | -131.8 | 79.1 | -171.4 | -51.2 | -78.8 | 0 | 0 | 0 | 109.9 | V146 W153 F162 L165 I166 L169 L185 V191 I192 | V146-F189 HydrophobicContact CG1-CD1 4.39Å; V146-F189 HydrophobicContact CG1-CE1 3.7Å; V146-F189 HydrophobicContact CG1-CZ 4.15Å; W153-F189 AromaticContact CD1-CD1 3.88Å; W153-F189 AromaticContact CD2-CD1 3.69Å; W153-F189 HydrophobicContact CD2-CD1 3.69Å; W153-F189 HydrophobicContact CD2-CE1 4.05Å; W153-F189 AromaticContact CE2-CD1 3.4Å; W153-F189 VanDerWaalsContact CE2-CD1 3.4Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 HydrophobicContact CE3-CD1 4.28Å; W153-F189 HydrophobicContact CE3-CE1 4.27Å; W153-F189 HydrophobicContact CG-CD1 4Å; W153-F189 HydrophobicContact CH2-CD1 4.34Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.76Å; W153-F189 HydrophobicContact CZ2-CD1 3.76Å; W153-F189 AromaticContact CZ2-CE1 3.47Å; W153-F189 HydrophobicContact CZ2-CE1 3.47Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.47Å; W153-F189 HydrophobicContact CZ3-CE1 4.12Å; W153-F189 AromaticContact NE1-CD1 3.55Å; F162-F189 HydrophobicContact CD1-CD1 4.41Å; F162-F189 AromaticContact CD1-CD2 3.94Å; F162-F189 HydrophobicContact CD1-CD2 3.94Å; F162-F189 HydrophobicContact CD1-CE1 4.48Å; F162-F189 HydrophobicContact CD1-CE2 4.02Å; F162-F189 HydrophobicContact CD1-CG 4.15Å; F162-F189 HydrophobicContact CD1-CZ 4.3Å; F162-F189 HydrophobicContact CE1-CB 4.34Å; F162-F189 AromaticContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD2 4.13Å; F162-F189 HydrophobicContact CE1-CE1 4.17Å; F162-F189 HydrophobicContact CE1-CE2 4.42Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.44Å; L165-F189 HydrophobicContact CB-CE2 4.28Å; L165-F189 HydrophobicContact CB-CZ 3.85Å; L165-F189 HydrophobicContact CD1-CE1 4.14Å; L165-F189 HydrophobicContact CD1-CZ 3.88Å; L165-F189 HydrophobicContact CG-CZ 4.46Å; I166-F189 HydrophobicContact CD1-CD2 4.2Å; I166-F189 HydrophobicContact CD1-CE2 3.79Å; I166-F189 HydrophobicContact CG1-CE2 4.27Å; L169-F189 HydrophobicContact CD1-CE2 4.17Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å; L185-F189 HydrophobicContact CD1-CD2 3.68Å; L185-F189 HydrophobicContact CD1-CE2 4.25Å; L185-F189 HydrophobicContact CG-CD2 4.45Å; L185-F189 PolarHBondContact O-N 2.85Å; F189-V191 VanDerWaalsContact C-N 3.26Å; F189-V191 PolarHBondContact O-N 3.38Å; F189-I192 HydrophobicContact CB-CD1 3.65Å; F189-I192 HydrophobicContact CB-CG1 3.79Å; F189-I192 HydrophobicContact CG-CD1 4.46Å | ||
| 190 | P | 97.5 | Very high | 97.5 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -60.7 | -33.8 | -173.5 | -26.6 | 36 | 0 | 0 | 0 | 114 | R186 | R186-P190 WeakPolarHBondContact O-CA 3.3Š|
| 191 | V | 98.5 | Very high | 97.4 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | trans | -126.6 | 117.8 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | K152 W153 F189 Y193 | K152-V191 HydrophobicContact CB-CG1 4.22Å; K152-V191 HydrophobicContact CG-CB 4.19Å; K152-V191 HydrophobicContact CG-CG1 3.9Å; W153-V191 WeakPolarHBondContact CB-O 3.42Å; W153-V191 PolarHBondContact N-O 2.96Å; F189-V191 VanDerWaalsContact C-N 3.26Å; F189-V191 PolarHBondContact O-N 3.38Å; V191-Y193 HydrophobicContact CG1-CD2 4.46Å; V191-Y193 HydrophobicContact CG1-CE1 4.26Å; V191-Y193 HydrophobicContact CG1-CE2 3.8Å | ||
| 192 | I | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.5 | 175.4 | -61.3 | 164 | 0 | 0 | 0 | 108.8 | W153 F162 L185 F189 C256 G257 L259 | W153-I192 HydrophobicContact CB-CG1 4.15Å; W153-I192 CarbonylContact O-C 3.55Å; W153-I192 WeakPolarHBondContact O-CA 3.33Å; F162-I192 HydrophobicContact CD1-CD1 4.23Å; F162-I192 HydrophobicContact CD2-CD1 4.36Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.11Å; F162-I192 HydrophobicContact CE2-CD1 4.01Å; F162-I192 HydrophobicContact CE2-CG1 4.23Å; F162-I192 HydrophobicContact CE2-CG2 3.53Å; F162-I192 HydrophobicContact CG-CD1 4.48Å; F162-I192 HydrophobicContact CZ-CB 4.36Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.71Å; F162-I192 HydrophobicContact CZ-CG2 3.7Å; L185-I192 HydrophobicContact CD1-CD1 4.14Å; L185-I192 HydrophobicContact CD2-CD1 3.86Å; L185-I192 HydrophobicContact CG-CD1 3.9Å; F189-I192 HydrophobicContact CB-CD1 3.65Å; F189-I192 HydrophobicContact CB-CG1 3.79Å; F189-I192 HydrophobicContact CG-CD1 4.46Å; I192-C256 CarbonylContact O-C 3.59Å; I192-C256 WeakPolarHBondContact O-CA 3.34Å; I192-G257 PolarHBondContact O-N 3.26Å; I192-L259 HydrophobicContact CD1-CD2 4.49Å; I192-L259 HydrophobicContact CG2-CD2 3.84Å |
| 193 | Y | 98.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 108.8 | 166 | -55 | -59.9 | 0 | 0 | 0 | 109.9 | K152 W153 L154 S155 V191 V195 F238 I250 D252 C256 | K152-Y193 HydrophobicContact CD-CE2 4.45Å; W153-Y193 PolarHBondContact O-N 2.87Å; L154-Y193 HydrophobicContact CD2-CD2 3.85Å; S155-Y193 PolarHBondContact N-O 3.41Å; S155-Y193 VanDerWaalsContact N-O 3.12Å; V191-Y193 HydrophobicContact CG1-CD2 4.46Å; V191-Y193 HydrophobicContact CG1-CE1 4.26Å; V191-Y193 HydrophobicContact CG1-CE2 3.8Å; Y193-V195 PolarHBondContact O-N 3.08Å; Y193-F238 AromaticContact CD2-CE2 3.86Å; Y193-F238 HydrophobicContact CD2-CE2 3.86Å; Y193-F238 AromaticContact CD2-CZ 3.91Å; Y193-F238 HydrophobicContact CD2-CZ 3.91Å; Y193-F238 HydrophobicContact CE2-CZ 4.41Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; Y193-I250 HydrophobicContact CD1-CG2 3.82Å; Y193-I250 HydrophobicContact CE1-CB 4.31Å; Y193-I250 HydrophobicContact CE1-CG2 3.51Å; Y193-D252 PolarHBondContact OH-OD1 3.29Å; Y193-C256 HydrophobicContact CE1-CB 4.12Å |
| 194 | D | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 108.8 | 172.1 | -171.4 | -41 | 0 | 0 | 0 | 109.3 | H157 S158 K196 Y197 L198 H258 Y260 | H157-D194 PolarHBondContact N-OD1 3.39Å; H157-D194 PolarHBondContact N-OD2 3.32Å; S158-D194 PolarHBondContact N-OD2 2.87Å; S158-D194 PolarHBondContact OG-OD2 2.88Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 WeakPolarHBondContact OD1-CB 3.2Å; D194-K196 PolarHBondContact OD1-N 3.13Å; D194-Y197 WeakPolarHBondContact O-CA 3.49Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.49Å; D194-Y197 PolarHBondContact O-N 3.23Å; D194-Y197 PolarHBondContact OD1-N 3.25Å; D194-L198 WeakPolarHBondContact O-CD1 3.33Å; D194-L198 PolarHBondContact O-N 3Å; D194-H258 WeakPolarHBondContact CB-O 3.38Å; D194-Y260 PolarHBondContact OD2-N 3.45Å; D194-Y260 VanDerWaalsContact OD2-N 3.1Å |
| 195 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.6 | -40.7 | -178.6 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | S155 F156 Y193 Y197 L198 M199 F238 M241 | S155-V195 WeakPolarHBondContact O-CB 3.34Å; S155-V195 WeakPolarHBondContact O-CG2 3.36Å; S155-V195 PolarHBondContact O-N 3.14Å; F156-V195 HydrophobicContact CD2-CB 3.81Å; F156-V195 HydrophobicContact CD2-CG1 3.69Å; F156-V195 HydrophobicContact CE2-CG1 4.05Å; Y193-V195 PolarHBondContact O-N 3.08Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 2.83Å; V195-L198 PolarHBondContact O-N 2.93Å; V195-L198 VanDerWaalsContact O-N 3.16Å; V195-M199 HydrophobicContact CG1-CG 4.39Å; V195-M199 HydrophobicContact CG1-SD 4.18Å; V195-M199 WeakPolarHBondContact O-CG 3.47Å; V195-M199 PolarHBondContact O-N 3.47Å; V195-F238 HydrophobicContact CG2-CB 3.82Å; V195-F238 HydrophobicContact CG2-CD2 4.12Å; V195-F238 HydrophobicContact CG2-CG 4.49Å; V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.86Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.32Å |
| 196 | K | 97.4 | Very high | 95.8 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 177.8 | -167.1 | 73.9 | 166.9 | -129.6 | 0 | 112.2 | F156 H157 D194 M199 G207 Y260 | F156-K196 HydrophobicContact CE1-CB 4.5Å; F156-K196 HydrophobicContact CE1-CD 3.77Å; F156-K196 HydrophobicContact CE2-CB 4.46Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CZ-CB 4.47Å; F156-K196 HydrophobicContact CZ-CD 3.52Å; H157-K196 HydrophobicContact CB-CB 4.22Å; H157-K196 HydrophobicContact CB-CG 4.26Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 WeakPolarHBondContact OD1-CB 3.2Å; D194-K196 PolarHBondContact OD1-N 3.13Å; K196-M199 HydrophobicContact CD-CE 4.22Å; K196-M199 HydrophobicContact CD-SD 4.11Å; K196-G207 WeakPolarHBondContact CE-O 3.23Å; K196-G207 PolarHBondContact NZ-O 3.44Å; K196-Y260 HydrophobicContact CB-CD2 4.15Å; K196-Y260 HydrophobicContact CB-CG 4.11Å; K196-Y260 HydrophobicContact CG-CD1 4.03Å; K196-Y260 HydrophobicContact CG-CD2 3.51Å; K196-Y260 HydrophobicContact CG-CE1 4.36Å; K196-Y260 HydrophobicContact CG-CE2 3.87Å; K196-Y260 HydrophobicContact CG-CG 3.59Å |
| 197 | Y | 96.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 12% | 0.122 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | 173.4 | -174.1 | -91.5 | 0 | 0 | 0 | 111.7 | D194 V195 M199 K200 Y255 H258 | D194-Y197 WeakPolarHBondContact O-CA 3.49Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.49Å; D194-Y197 PolarHBondContact O-N 3.23Å; D194-Y197 PolarHBondContact OD1-N 3.25Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 2.83Å; Y197-M199 PolarHBondContact O-N 2.95Å; Y197-K200 HydrophobicContact CD2-CD 4.26Å; Y197-K200 HydrophobicContact CE2-CD 4.46Å; Y197-K200 VanDerWaalsContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CG 3.4Å; Y197-K200 PolarHBondContact O-N 3.2Å; Y197-K200 VanDerWaalsContact O-N 3.11Å; Y197-Y255 HydrophobicContact CD1-CD1 4.1Å; Y197-Y255 HydrophobicContact CE1-CD1 4Å; Y197-H258 HydrophobicContact CD1-CB 3.77Å; Y197-H258 HydrophobicContact CD2-CB 4.01Å; Y197-H258 HydrophobicContact CE1-CB 3.65Å; Y197-H258 AromaticContact CE1-CD2 3.99Å; Y197-H258 AromaticContact CE1-CG 3.99Å; Y197-H258 HydrophobicContact CE2-CB 3.89Å; Y197-H258 HydrophobicContact CG-CB 3.96Å; Y197-H258 AromaticContact CZ-CG 3.86Å |
| 198 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -38.4 | 177.1 | -83.2 | 77.7 | 0 | 0 | 0 | 111.7 | D194 V195 K200 S201 F238 M241 F246 I250 Y255 | D194-L198 WeakPolarHBondContact O-CD1 3.33Å; D194-L198 PolarHBondContact O-N 3Å; V195-L198 PolarHBondContact O-N 2.93Å; V195-L198 VanDerWaalsContact O-N 3.16Å; L198-K200 PolarHBondContact O-N 2.88Å; L198-K200 VanDerWaalsContact O-N 3.08Å; L198-S201 WeakPolarHBondContact O-CB 3.36Å; L198-S201 PolarHBondContact O-N 2.97Å; L198-F238 HydrophobicContact CD2-CD2 4.44Å; L198-F238 HydrophobicContact CD2-CE2 4.07Å; L198-M241 HydrophobicContact CB-CE 3.53Å; L198-M241 HydrophobicContact CB-SD 4.21Å; L198-M241 HydrophobicContact CD2-CE 3.67Å; L198-M241 HydrophobicContact CG-CE 4.23Å; L198-F246 HydrophobicContact CB-CE2 4.42Å; L198-F246 HydrophobicContact CB-CZ 4.13Å; L198-F246 HydrophobicContact CD2-CE2 4.39Å; L198-F246 HydrophobicContact CD2-CZ 4.38Å; L198-F246 HydrophobicContact CG-CZ 4.44Å; L198-I250 HydrophobicContact CD2-CD1 3.7Å; L198-I250 HydrophobicContact CD2-CG1 4.32Å; L198-I250 HydrophobicContact CD2-CG2 4.45Å; L198-Y255 HydrophobicContact CD1-CD1 4.47Å; L198-Y255 HydrophobicContact CG-CD1 4.07Å; L198-Y255 HydrophobicContact CG-CG 4.26Å |
| 199 | M | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -54.6 | -26.7 | 177 | -74.3 | 168.8 | 55.7 | 0 | 0 | 113.9 | F156 V195 K196 Y197 S201 C202 L205 V212 M241 | F156-M199 HydrophobicContact CE2-SD 3.63Å; F156-M199 HydrophobicContact CZ-SD 4.16Å; V195-M199 HydrophobicContact CG1-CG 4.39Å; V195-M199 HydrophobicContact CG1-SD 4.18Å; V195-M199 WeakPolarHBondContact O-CG 3.47Å; V195-M199 PolarHBondContact O-N 3.47Å; K196-M199 HydrophobicContact CD-CE 4.22Å; K196-M199 HydrophobicContact CD-SD 4.11Å; Y197-M199 PolarHBondContact O-N 2.95Å; M199-S201 PolarHBondContact O-N 3.05Å; M199-S201 VanDerWaalsContact O-N 3.09Å; M199-C202 PolarHBondContact O-N 3.43Å; M199-L205 HydrophobicContact CE-CB 4.4Å; M199-L205 HydrophobicContact CE-CD2 4.13Å; M199-L205 HydrophobicContact CE-CG 4.41Å; M199-L205 HydrophobicContact CG-CB 4.37Å; M199-L205 HydrophobicContact CG-CD2 3.5Å; M199-L205 VanDerWaalsContact CG-CD2 3.5Å; M199-L205 HydrophobicContact CG-CG 4.45Å; M199-L205 HydrophobicContact SD-CD2 3.99Å; M199-V212 HydrophobicContact CE-CG2 3.27Å; M199-V212 HydrophobicContact SD-CG1 4.32Å; M199-V212 HydrophobicContact SD-CG2 3.69Å; M199-M241 HydrophobicContact CG-SD 3.94Å |
| 200 | K | 93.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 40% | 0.404 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.7 | -22.8 | 175 | -62.3 | 179 | 66.2 | 176 | 0 | 112.8 | Y197 L198 Y268 | Y197-K200 HydrophobicContact CD2-CD 4.26Å; Y197-K200 HydrophobicContact CE2-CD 4.46Å; Y197-K200 VanDerWaalsContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CG 3.4Å; Y197-K200 PolarHBondContact O-N 3.2Å; Y197-K200 VanDerWaalsContact O-N 3.11Å; L198-K200 PolarHBondContact O-N 2.88Å; L198-K200 VanDerWaalsContact O-N 3.08Å; K200-Y268 PolarHBondContact NZ-O 3Å |
| 201 | S | 94.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 45 Ų | 45 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -95.6 | -4.8 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | L198 M199 Y255 | L198-S201 WeakPolarHBondContact O-CB 3.36Å; L198-S201 PolarHBondContact O-N 2.97Å; M199-S201 PolarHBondContact O-N 3.05Å; M199-S201 VanDerWaalsContact O-N 3.09Å; S201-Y255 WeakPolarHBondContact CB-OH 3.38Å; S201-Y255 WeakPolarHBondContact OG-CE1 3.2Å; S201-Y255 PolarHBondContact OG-OH 2.78Å |
| 202 | C | 93.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -98.7 | 113.8 | -179.4 | -59 | 0 | 0 | 0 | 0 | 109.6 | M199 N204 L205 F245 F246 | M199-C202 PolarHBondContact O-N 3.43Å; C202-N204 PolarHBondContact O-N 3.25Å; C202-L205 HydrophobicContact CB-CB 3.95Å; C202-L205 PolarHBondContact O-N 2.82Å; C202-F245 HydrophobicContact CB-CD1 3.95Å; C202-F245 HydrophobicContact CB-CD2 4.4Å; C202-F245 HydrophobicContact CB-CE1 4.23Å; C202-F245 HydrophobicContact CB-CG 4.04Å; C202-F246 WeakPolarHBondContact SG-CE2 3.28Å |
| 203 | K | 88.4 | Confident | 95 | Very high | 178 Ų | 178 | 43.6 Ų | 43.6 | 77% | 0.774 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 131.5 | 176 | -68.9 | -178.3 | -177.9 | 175 | 0 | 109.4 | L205 | K203-L205 VanDerWaalsContact C-N 3.3Å; K203-L205 PolarHBondContact O-N 3.14Å |
| 204 | N | 87 | Confident | 95 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 80% | 0.802 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 2.4 | 175.8 | -48.7 | -37.9 | 0 | 0 | 0 | 116.9 | C202 Q215 | C202-N204 PolarHBondContact O-N 3.25Å; N204-Q215 PolarHBondContact O-OE1 2.8Å; N204-Q215 VanDerWaalsContact O-OE1 3.08Å |
| 205 | L | 91.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | trans | -88.8 | 122.4 | 169.1 | -133.8 | 87.5 | 0 | 0 | 0 | 110 | M199 C202 K203 V212 Q215 L216 M241 F245 | M199-L205 HydrophobicContact CE-CB 4.4Å; M199-L205 HydrophobicContact CE-CD2 4.13Å; M199-L205 HydrophobicContact CE-CG 4.41Å; M199-L205 HydrophobicContact CG-CB 4.37Å; M199-L205 HydrophobicContact CG-CD2 3.5Å; M199-L205 VanDerWaalsContact CG-CD2 3.5Å; M199-L205 HydrophobicContact CG-CG 4.45Å; M199-L205 HydrophobicContact SD-CD2 3.99Å; C202-L205 HydrophobicContact CB-CB 3.95Å; C202-L205 PolarHBondContact O-N 2.82Å; K203-L205 VanDerWaalsContact C-N 3.3Å; K203-L205 PolarHBondContact O-N 3.14Å; L205-V212 HydrophobicContact CD2-CG1 3.58Å; L205-V212 HydrophobicContact CD2-CG2 4.37Å; L205-V212 HydrophobicContact CG-CG1 4.3Å; L205-Q215 HydrophobicContact CD1-CB 4.44Å; L205-L216 HydrophobicContact CD1-CD2 3.75Å; L205-L216 HydrophobicContact CD1-CG 4.15Å; L205-L216 HydrophobicContact CD2-CD1 4.44Å; L205-M241 HydrophobicContact CD2-SD 4.24Å; L205-F245 HydrophobicContact CD1-CE2 4.07Å; L205-F245 HydrophobicContact CD1-CZ 4.12Å | ||
| 206 | K | 92.9 | Very high | 94.8 | Very high | 159 Ų | 159 | 53.4 Ų | 53.4 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | trans | -155.2 | 162.8 | 178.6 | 62.4 | -178.8 | -179.3 | 178.5 | 0 | 110.8 | Q215 | K206-Q215 PolarHBondContact O-NE2 3.43Š| ||
| 207 | G | 94.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 108 | -177.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K196 E211 | K196-G207 WeakPolarHBondContact CE-O 3.23Å; K196-G207 PolarHBondContact NZ-O 3.44Å; G207-E211 WeakPolarHBondContact CA-OE2 3.33Å |
| 208 | G | 95.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -72.4 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q210 E211 V212 | G208-Q210 VanDerWaalsContact C-N 3.27Å; G208-Q210 PolarHBondContact O-N 3.1Å; G208-E211 PolarHBondContact N-OE2 3.32Å; G208-E211 PolarHBondContact O-N 2.95Å; G208-E211 VanDerWaalsContact O-N 3.13Å; G208-V212 WeakPolarHBondContact O-CG2 3.32Å; G208-V212 PolarHBondContact O-N 3.09Å |
| 209 | L | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.9 | -43.9 | -175.9 | 177.9 | 61.4 | 0 | 0 | 0 | 112.5 | F156 V212 A213 D230 L233 T234 A237 | F156-L209 HydrophobicContact CB-CD1 4.41Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.44Å; F156-L209 HydrophobicContact CD2-CD1 3.82Å; F156-L209 HydrophobicContact CE1-CB 3.93Å; F156-L209 VanDerWaalsContact CE1-N 3.29Å; F156-L209 HydrophobicContact CE2-CB 4.42Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.22Å; F156-L209 HydrophobicContact CG-CD1 4.07Å; F156-L209 HydrophobicContact CZ-CB 4.16Å; F156-L209 VanDerWaalsContact CZ-N 3.31Å; L209-V212 PolarHBondContact O-N 3.04Å; L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 2.85Å; L209-D230 HydrophobicContact CD2-CB 4.06Å; L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.47Å; L209-L233 HydrophobicContact CD2-CD2 4.47Å; L209-L233 HydrophobicContact CG-CD2 4.15Å; L209-L233 HydrophobicContact CG-CG 4.43Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.45Å; L209-A237 HydrophobicContact CD1-CB 4.49Å |
| 210 | Q | 95.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 178.8 | -174.9 | 57.9 | 41.5 | 0 | 0 | 112.5 | G208 V212 A213 E214 | G208-Q210 VanDerWaalsContact C-N 3.27Å; G208-Q210 PolarHBondContact O-N 3.1Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.31Å; Q210-A213 PolarHBondContact O-N 3.45Å; Q210-E214 PolarHBondContact NE2-OE1 2.97Å; Q210-E214 WeakPolarHBondContact O-CG 3.4Å; Q210-E214 PolarHBondContact O-N 3.1Å; Q210-E214 VanDerWaalsContact O-N 3.08Å |
| 211 | E | 96.6 | Very high | 95 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 177.7 | -63.1 | -176.1 | 149.6 | 0 | 0 | 111.6 | G207 G208 Q215 | G207-E211 WeakPolarHBondContact CA-OE2 3.33Å; G208-E211 PolarHBondContact N-OE2 3.32Å; G208-E211 PolarHBondContact O-N 2.95Å; G208-E211 VanDerWaalsContact O-N 3.13Å; E211-Q215 WeakPolarHBondContact O-CG 3.48Å; E211-Q215 PolarHBondContact O-N 3.46Å; E211-Q215 VanDerWaalsContact O-N 3.14Å; E211-Q215 PolarHBondContact O-NE2 3.37Å |
| 212 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 176 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | F156 M199 L205 G208 L209 Q210 E214 Q215 L216 | F156-V212 HydrophobicContact CE2-CB 4.44Å; F156-V212 HydrophobicContact CE2-CG2 4.13Å; F156-V212 HydrophobicContact CZ-CG2 4.19Å; M199-V212 HydrophobicContact CE-CG2 3.27Å; M199-V212 HydrophobicContact SD-CG1 4.32Å; M199-V212 HydrophobicContact SD-CG2 3.69Å; L205-V212 HydrophobicContact CD2-CG1 3.58Å; L205-V212 HydrophobicContact CD2-CG2 4.37Å; L205-V212 HydrophobicContact CG-CG1 4.3Å; G208-V212 WeakPolarHBondContact O-CG2 3.32Å; G208-V212 PolarHBondContact O-N 3.09Å; L209-V212 PolarHBondContact O-N 3.04Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.31Å; V212-E214 VanDerWaalsContact C-N 3.29Å; V212-E214 PolarHBondContact O-N 3.41Å; V212-Q215 PolarHBondContact O-N 3.26Å; V212-L216 HydrophobicContact CG1-CD1 3.81Å; V212-L216 HydrophobicContact CG1-CG 4.35Å; V212-L216 WeakPolarHBondContact O-CB 3.5Å; V212-L216 WeakPolarHBondContact O-CG 3.41Å; V212-L216 PolarHBondContact O-N 2.99Å |
| 213 | A | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L209 Q210 L216 E217 L218 L233 | L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 2.85Å; Q210-A213 PolarHBondContact O-N 3.45Å; A213-L216 CarbonylContact O-C 3.54Å; A213-L216 PolarHBondContact O-N 3.29Å; A213-E217 PolarHBondContact O-N 3.1Å; A213-L218 HydrophobicContact CB-CB 4.17Å; A213-L218 PolarHBondContact O-N 2.91Å; A213-L233 HydrophobicContact CB-CD1 3.72Å; A213-L233 HydrophobicContact CB-CD2 3.7Å; A213-L233 HydrophobicContact CB-CG 3.9Å |
| 214 | E | 96.8 | Very high | 95.5 | Very high | 125 Ų | 125 | 65 Ų | 65 | 58% | 0.584 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 175.7 | -71.5 | 167.5 | -165.4 | 0 | 0 | 112.4 | Q210 V212 L216 E217 | Q210-E214 PolarHBondContact NE2-OE1 2.97Å; Q210-E214 WeakPolarHBondContact O-CG 3.4Å; Q210-E214 PolarHBondContact O-N 3.1Å; Q210-E214 VanDerWaalsContact O-N 3.08Å; V212-E214 VanDerWaalsContact C-N 3.29Å; V212-E214 PolarHBondContact O-N 3.41Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 2.89Å; E214-E217 PolarHBondContact O-N 3.43Å; E214-E217 VanDerWaalsContact O-N 3.14Å |
| 215 | Q | 96.7 | Very high | 95.8 | Very high | 79 Ų | 79 | 59.5 Ų | 59.5 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -28.8 | 176.1 | -75.9 | 164.7 | 71.8 | 0 | 0 | 113.2 | N204 L205 K206 E211 V212 E217 | N204-Q215 PolarHBondContact O-OE1 2.8Å; N204-Q215 VanDerWaalsContact O-OE1 3.08Å; L205-Q215 HydrophobicContact CD1-CB 4.44Å; K206-Q215 PolarHBondContact O-NE2 3.43Å; E211-Q215 WeakPolarHBondContact O-CG 3.48Å; E211-Q215 PolarHBondContact O-N 3.46Å; E211-Q215 VanDerWaalsContact O-N 3.14Å; E211-Q215 PolarHBondContact O-NE2 3.37Å; V212-Q215 PolarHBondContact O-N 3.26Å; Q215-E217 VanDerWaalsContact C-N 3.35Å |
| 216 | L | 96.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 4.2 | 176.6 | -65.8 | 177.6 | 0 | 0 | 0 | 113 | L205 V212 A213 E214 L218 A237 K240 M241 M244 F245 | L205-L216 HydrophobicContact CD1-CD2 3.75Å; L205-L216 HydrophobicContact CD1-CG 4.15Å; L205-L216 HydrophobicContact CD2-CD1 4.44Å; V212-L216 HydrophobicContact CG1-CD1 3.81Å; V212-L216 HydrophobicContact CG1-CG 4.35Å; V212-L216 WeakPolarHBondContact O-CB 3.5Å; V212-L216 WeakPolarHBondContact O-CG 3.41Å; V212-L216 PolarHBondContact O-N 2.99Å; A213-L216 CarbonylContact O-C 3.54Å; A213-L216 PolarHBondContact O-N 3.29Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 2.89Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.85Å; L216-L218 HydrophobicContact CB-CG 3.81Å; L216-L218 HydrophobicContact CD1-CD1 4.15Å; L216-L218 PolarHBondContact O-N 3.18Å; L216-A237 HydrophobicContact CD1-CB 4.2Å; L216-K240 HydrophobicContact CB-CG 4.15Å; L216-K240 HydrophobicContact CD2-CG 4.37Å; L216-M241 HydrophobicContact CD1-CB 4.39Å; L216-M244 HydrophobicContact CD2-CE 4.5Å; L216-M244 HydrophobicContact CD2-SD 3.88Å; L216-F245 HydrophobicContact CD2-CE2 4.13Å |
| 217 | E | 97.6 | Very high | 96.4 | Very high | 182 Ų | 182 | 52 Ų | 52 | 85% | 0.85 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 42 | -178.6 | -57.1 | -179.7 | 173.5 | 0 | 0 | 113 | A213 E214 Q215 | A213-E217 PolarHBondContact O-N 3.1Å; E214-E217 PolarHBondContact O-N 3.43Å; E214-E217 VanDerWaalsContact O-N 3.14Å; Q215-E217 VanDerWaalsContact C-N 3.35Å |
| 218 | L | 97.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -96 | 137.1 | -179.5 | -59.6 | 175.7 | 0 | 0 | 0 | 111.7 | A213 L216 L233 M236 A237 K240 | A213-L218 HydrophobicContact CB-CB 4.17Å; A213-L218 PolarHBondContact O-N 2.91Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.85Å; L216-L218 HydrophobicContact CB-CG 3.81Å; L216-L218 HydrophobicContact CD1-CD1 4.15Å; L216-L218 PolarHBondContact O-N 3.18Å; L218-L233 HydrophobicContact CB-CD1 4.21Å; L218-M236 HydrophobicContact CD1-CB 3.92Å; L218-M236 HydrophobicContact CD2-CB 4.31Å; L218-A237 HydrophobicContact CD1-CB 4.09Å; L218-K240 HydrophobicContact CD1-CB 4.43Å; L218-K240 HydrophobicContact CD2-CB 4.1Å; L218-K240 HydrophobicContact CD2-CG 4.12Å |
| 219 | E | 97.2 | Very high | 96.8 | Very high | 167 Ų | 167 | 50 Ų | 50 | 78% | 0.78 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 119.1 | 175.7 | -172.4 | 177.7 | -175.9 | 0 | 0 | 110.4 | ||
| 220 | R | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 136.8 | 175.9 | 176.2 | -179.7 | -71.7 | -86.6 | 9.6 | 110.8 | S229 D230 L233 | R220-S229 PolarHBondContact NH1-OG 3.31Å; R220-D230 IonicContact CZ-OD1 3.69Å; R220-D230 IonicContact NH1-OD1 3.64Å; R220-D230 PolarHBondContact NH1-OD1 3.11Å; R220-D230 IonicContact NH1-OD2 3.2Å; R220-D230 IonicContact NH2-OD1 2.97Å; R220-D230 PolarHBondContact NH2-OD1 3.32Å; R220-L233 HydrophobicContact CB-CD2 4.5Å |
| 221 | I | 96.5 | Very high | 97 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.195 | 24% | 0.239 | C | C | . | . | trans | -115.3 | 117.9 | 170.9 | -58.4 | 175.3 | 0 | 0 | 0 | 108.4 | I12 S229 L232 M236 | I12-I221 WeakPolarHBondContact CD1-O 3.4Å; I221-S229 PolarHBondContact O-OG 2.9Å; I221-L232 HydrophobicContact CB-CD2 3.9Å; I221-L232 HydrophobicContact CG2-CD2 4.32Å; I221-M236 HydrophobicContact CD1-CE 3.93Å; I221-M236 HydrophobicContact CG1-CE 4.34Å | ||
| 222 | G | 95.9 | Very high | 97.1 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 102.4 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S229 | G222-S229 PolarHBondContact O-OG 2.92Š|
| 223 | P | 95.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 38% | 0.377 | 22% | 0.224 | S | C | . | . | trans | -66.7 | 141.8 | -179.1 | 26.4 | -32.3 | 0 | 0 | 0 | 111.4 | Q226 S229 | P223-Q226 HydrophobicContact CB-CG 4.15Å; P223-Q226 HydrophobicContact CG-CB 3.98Å; P223-Q226 HydrophobicContact CG-CG 3.83Å; P223-S229 WeakPolarHBondContact O-CB 3.2Å; P223-S229 PolarHBondContact O-OG 3.08Å | ||
| 224 | Q | 94.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -74.5 | 148 | 172.9 | -172.2 | -175.4 | -12.5 | 0 | 0 | 110.1 | S119 Q226 | S119-Q224 WeakPolarHBondContact CB-O 3.32Å; Q224-Q226 VanDerWaalsContact C-N 3.33Å |
| 225 | H | 94.2 | Very high | 97.4 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 59.6 | 46.1 | -176.7 | -53.2 | -72.7 | 0 | 0 | 0 | 111.7 | E42 S119 D230 E280 | E42-H225 WeakPolarHBondContact OE1-CA 3.35Å; S119-H225 WeakPolarHBondContact CB-O 3.15Å; S119-H225 WeakPolarHBondContact OG-CB 3.27Å; H225-D230 WeakPolarHBondContact CA-OD2 3.41Å; H225-D230 PolarHBondContact N-OD2 3.42Å; H225-E280 IonicContact CE1-OE1 2.65Å; H225-E280 PolarHBondContact CE1-OE1 3.42Å; H225-E280 IonicContact CE1-OE2 3.98Å; H225-E280 IonicContact ND1-OE1 3.55Å; H225-E280 PolarHBondContact ND1-OE1 3.31Å; H225-E280 IonicContact NE2-OE1 3.13Å |
| 226 | Q | 98.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -140.3 | 129.3 | 164.3 | -67.7 | -165 | 21.2 | 0 | 0 | 107.6 | E42 S119 I121 P223 Q224 G228 S229 D230 | E42-Q226 PolarHBondContact OE1-N 3.14Å; S119-Q226 PolarHBondContact O-NE2 2.85Å; I121-Q226 HydrophobicContact CD1-CG 4.03Å; P223-Q226 HydrophobicContact CB-CG 4.15Å; P223-Q226 HydrophobicContact CG-CB 3.98Å; P223-Q226 HydrophobicContact CG-CG 3.83Å; Q224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-G228 PolarHBondContact O-N 2.88Å; Q226-S229 PolarHBondContact O-N 2.89Å; Q226-D230 PolarHBondContact N-OD2 2.96Å; Q226-D230 PolarHBondContact O-N 3.16Å |
| 227 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.4 | -35.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D40 E42 Q76 G78 S231 | D40-A227 WeakPolarHBondContact O-CB 3.49Å; E42-A227 HydrophobicContact CG-CB 4.13Å; Q76-A227 HydrophobicContact CB-CB 3.77Å; G78-A227 WeakPolarHBondContact CA-O 3.49Å; A227-S231 WeakPolarHBondContact O-CB 3.07Å; A227-S231 PolarHBondContact O-N 2.95Å; A227-S231 PolarHBondContact O-OG 3.48Å |
| 228 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -56.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T94 Q226 S231 L232 | T94-G228 WeakPolarHBondContact CG2-O 3.35Å; Q226-G228 PolarHBondContact O-N 2.88Å; G228-S231 PolarHBondContact O-N 3.18Å; G228-S231 PolarHBondContact O-OG 2.71Å; G228-L232 PolarHBondContact O-N 3.44Å; G228-L232 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | R220 I221 G222 P223 Q226 L232 L233 | R220-S229 PolarHBondContact NH1-OG 3.31Å; I221-S229 PolarHBondContact O-OG 2.9Å; G222-S229 PolarHBondContact O-OG 2.92Å; P223-S229 WeakPolarHBondContact O-CB 3.2Å; P223-S229 PolarHBondContact O-OG 3.08Å; Q226-S229 PolarHBondContact O-N 2.89Å; S229-L232 PolarHBondContact O-N 3.25Å; S229-L233 PolarHBondContact O-N 2.94Å |
| 230 | D | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 178.4 | -72.6 | -51.1 | 0 | 0 | 0 | 112.6 | D40 L209 R220 H225 Q226 L232 L233 T234 | D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.38Å; L209-D230 HydrophobicContact CD2-CB 4.06Å; R220-D230 IonicContact CZ-OD1 3.69Å; R220-D230 IonicContact NH1-OD1 3.64Å; R220-D230 PolarHBondContact NH1-OD1 3.11Å; R220-D230 IonicContact NH1-OD2 3.2Å; R220-D230 IonicContact NH2-OD1 2.97Å; R220-D230 PolarHBondContact NH2-OD1 3.32Å; H225-D230 WeakPolarHBondContact CA-OD2 3.41Å; H225-D230 PolarHBondContact N-OD2 3.42Å; Q226-D230 PolarHBondContact N-OD2 2.96Å; Q226-D230 PolarHBondContact O-N 3.16Å; D230-L232 VanDerWaalsContact C-N 3.29Å; D230-L232 PolarHBondContact O-N 3.25Å; D230-L233 PolarHBondContact O-N 3.08Å; D230-T234 VanDerWaalsContact O-CB 3.31Å; D230-T234 WeakPolarHBondContact O-CB 3.38Å; D230-T234 PolarHBondContact O-N 2.79Å; D230-T234 PolarHBondContact O-OG1 3.27Å |
| 231 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 171.5 | 76.4 | 0 | 0 | 0 | 0 | 112 | A38 G78 T80 A227 G228 T234 G235 | A38-S231 WeakPolarHBondContact CB-O 3.35Å; G78-S231 WeakPolarHBondContact O-CB 3.47Å; T80-S231 PolarHBondContact OG1-OG 3.41Å; A227-S231 WeakPolarHBondContact O-CB 3.07Å; A227-S231 PolarHBondContact O-N 2.95Å; A227-S231 PolarHBondContact O-OG 3.48Å; G228-S231 PolarHBondContact O-N 3.18Å; G228-S231 PolarHBondContact O-OG 2.71Å; S231-T234 PolarHBondContact O-N 3.44Å; S231-G235 PolarHBondContact O-N 3.37Å |
| 232 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 177.8 | 176.7 | 57.7 | 0 | 0 | 0 | 111 | R11 T80 Y88 T94 I221 G228 S229 D230 T234 G235 M236 | R11-L232 HydrophobicContact CG-CD2 4.41Å; T80-L232 HydrophobicContact CG2-CB 4.44Å; T80-L232 HydrophobicContact CG2-CD1 3.67Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.47Å; T80-L232 PolarHBondContact OG1-N 3.05Å; Y88-L232 HydrophobicContact CD1-CD1 4.4Å; Y88-L232 HydrophobicContact CE1-CD1 3.53Å; T94-L232 HydrophobicContact CG2-CB 4.5Å; I221-L232 HydrophobicContact CB-CD2 3.9Å; I221-L232 HydrophobicContact CG2-CD2 4.32Å; G228-L232 PolarHBondContact O-N 3.44Å; G228-L232 VanDerWaalsContact O-N 3.1Å; S229-L232 PolarHBondContact O-N 3.25Å; D230-L232 VanDerWaalsContact C-N 3.29Å; D230-L232 PolarHBondContact O-N 3.25Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-G235 PolarHBondContact O-N 2.83Å; L232-M236 HydrophobicContact CD1-CE 3.99Å; L232-M236 HydrophobicContact CD2-CE 4.28Å; L232-M236 HydrophobicContact CG-CE 3.9Å; L232-M236 WeakPolarHBondContact O-CG 3.4Å; L232-M236 PolarHBondContact O-N 3.17Å |
| 233 | L | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.1 | -168.6 | 62.2 | 0 | 0 | 0 | 112 | L209 A213 L218 R220 S229 D230 G235 M236 A237 | L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.47Å; L209-L233 HydrophobicContact CD2-CD2 4.47Å; L209-L233 HydrophobicContact CG-CD2 4.15Å; L209-L233 HydrophobicContact CG-CG 4.43Å; A213-L233 HydrophobicContact CB-CD1 3.72Å; A213-L233 HydrophobicContact CB-CD2 3.7Å; A213-L233 HydrophobicContact CB-CG 3.9Å; L218-L233 HydrophobicContact CB-CD1 4.21Å; R220-L233 HydrophobicContact CB-CD2 4.5Å; S229-L233 PolarHBondContact O-N 2.94Å; D230-L233 PolarHBondContact O-N 3.08Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 3.43Å; L233-M236 HydrophobicContact CD1-SD 4.24Å; L233-M236 WeakPolarHBondContact O-CB 3.44Å; L233-M236 PolarHBondContact O-N 3.45Å; L233-A237 WeakPolarHBondContact O-CB 2.95Å; L233-A237 PolarHBondContact O-N 3.21Å |
| 234 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 172 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | A38 F156 L209 D230 S231 L232 A237 F238 | A38-T234 HydrophobicContact CB-CG2 4.36Å; F156-T234 HydrophobicContact CB-CG2 4.26Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.45Å; D230-T234 VanDerWaalsContact O-CB 3.31Å; D230-T234 WeakPolarHBondContact O-CB 3.38Å; D230-T234 PolarHBondContact O-N 2.79Å; D230-T234 PolarHBondContact O-OG1 3.27Å; S231-T234 PolarHBondContact O-N 3.44Å; L232-T234 VanDerWaalsContact C-N 3.35Å; T234-A237 PolarHBondContact O-N 3.36Å; T234-F238 PolarHBondContact O-N 2.72Å |
| 235 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S231 L232 L233 A237 F238 F239 | S231-G235 PolarHBondContact O-N 3.37Å; L232-G235 PolarHBondContact O-N 2.83Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 3.43Å; G235-A237 PolarHBondContact O-N 3.15Å; G235-F238 PolarHBondContact O-N 2.74Å; G235-F239 WeakPolarHBondContact O-CD2 3.37Å; G235-F239 PolarHBondContact O-N 2.83Å; G235-F239 VanDerWaalsContact O-N 3.17Å |
| 236 | M | 98.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 22.5 Ų | 22.5 | 15% | 0.148 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.5 | -66.6 | 173.8 | 176.6 | 0 | 0 | 111.7 | Y88 L218 I221 L232 L233 F238 F239 K240 | Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.38Å; L218-M236 HydrophobicContact CD1-CB 3.92Å; L218-M236 HydrophobicContact CD2-CB 4.31Å; I221-M236 HydrophobicContact CD1-CE 3.93Å; I221-M236 HydrophobicContact CG1-CE 4.34Å; L232-M236 HydrophobicContact CD1-CE 3.99Å; L232-M236 HydrophobicContact CD2-CE 4.28Å; L232-M236 HydrophobicContact CG-CE 3.9Å; L232-M236 WeakPolarHBondContact O-CG 3.4Å; L232-M236 PolarHBondContact O-N 3.17Å; L233-M236 HydrophobicContact CD1-SD 4.24Å; L233-M236 WeakPolarHBondContact O-CB 3.44Å; L233-M236 PolarHBondContact O-N 3.45Å; M236-F238 PolarHBondContact O-N 2.83Å; M236-F239 PolarHBondContact O-N 3Å; M236-K240 VanDerWaalsContact O-CB 3.31Å; M236-K240 WeakPolarHBondContact O-CB 2.99Å; M236-K240 PolarHBondContact O-N 3.32Å |
| 237 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | L209 L216 L218 L233 T234 G235 M241 | L209-A237 HydrophobicContact CD1-CB 4.49Å; L216-A237 HydrophobicContact CD1-CB 4.2Å; L218-A237 HydrophobicContact CD1-CB 4.09Å; L233-A237 WeakPolarHBondContact O-CB 2.95Å; L233-A237 PolarHBondContact O-N 3.21Å; T234-A237 PolarHBondContact O-N 3.36Å; G235-A237 PolarHBondContact O-N 3.15Å; A237-M241 WeakPolarHBondContact O-CB 3.46Å; A237-M241 PolarHBondContact O-N 3.2Å |
| 238 | F | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -55.5 | 177.1 | 175.3 | -92.8 | 0 | 0 | 0 | 112 | Y36 L154 Y193 V195 L198 T234 G235 M236 K240 M241 R242 I250 | Y36-F238 HydrophobicContact CD1-CE1 4.3Å; Y36-F238 AromaticContact CE1-CE1 3.88Å; Y36-F238 HydrophobicContact CE1-CE1 3.88Å; Y36-F238 HydrophobicContact CE1-CZ 4.29Å; L154-F238 HydrophobicContact CD1-CB 4.01Å; L154-F238 HydrophobicContact CD1-CD1 3.61Å; L154-F238 HydrophobicContact CD1-CE1 4.21Å; L154-F238 HydrophobicContact CD1-CG 3.81Å; L154-F238 HydrophobicContact CD2-CD1 3.84Å; L154-F238 HydrophobicContact CD2-CD2 3.75Å; L154-F238 HydrophobicContact CD2-CE1 3.8Å; L154-F238 HydrophobicContact CD2-CE2 3.72Å; L154-F238 HydrophobicContact CD2-CG 3.8Å; L154-F238 HydrophobicContact CD2-CZ 3.73Å; L154-F238 HydrophobicContact CG-CD1 4.31Å; L154-F238 HydrophobicContact CG-CG 4.25Å; Y193-F238 AromaticContact CD2-CE2 3.86Å; Y193-F238 HydrophobicContact CD2-CE2 3.86Å; Y193-F238 AromaticContact CD2-CZ 3.91Å; Y193-F238 HydrophobicContact CD2-CZ 3.91Å; Y193-F238 HydrophobicContact CE2-CZ 4.41Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; V195-F238 HydrophobicContact CG2-CB 3.82Å; V195-F238 HydrophobicContact CG2-CD2 4.12Å; V195-F238 HydrophobicContact CG2-CG 4.49Å; L198-F238 HydrophobicContact CD2-CD2 4.44Å; L198-F238 HydrophobicContact CD2-CE2 4.07Å; T234-F238 PolarHBondContact O-N 2.72Å; G235-F238 PolarHBondContact O-N 2.74Å; M236-F238 PolarHBondContact O-N 2.83Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.36Å; F238-M241 PolarHBondContact O-N 3.22Å; F238-R242 WeakPolarHBondContact O-CB 3.42Å; F238-R242 PolarHBondContact O-N 3.43Å; F238-I250 HydrophobicContact CE2-CG1 4.22Å; F238-I250 HydrophobicContact CZ-CG1 4Å |
| 239 | F | 98.7 | Very high | 97.9 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | -175 | -81.2 | -74.7 | 0 | 0 | 0 | 111.8 | Y36 M82 N83 G86 L154 G235 M236 R242 E243 | Y36-F239 HydrophobicContact CD1-CE1 4.48Å; Y36-F239 HydrophobicContact CD1-CE2 4.22Å; Y36-F239 AromaticContact CD1-CZ 3.63Å; Y36-F239 HydrophobicContact CD1-CZ 3.63Å; Y36-F239 HydrophobicContact CD2-CZ 4.47Å; Y36-F239 HydrophobicContact CE1-CE1 4.47Å; Y36-F239 HydrophobicContact CE1-CZ 4.03Å; Y36-F239 HydrophobicContact CG-CE2 4.5Å; Y36-F239 AromaticContact CG-CZ 3.87Å; Y36-F239 HydrophobicContact CG-CZ 3.87Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.38Å; M82-F239 HydrophobicContact CE-CD2 4.38Å; M82-F239 HydrophobicContact CE-CE2 3.9Å; M82-F239 HydrophobicContact CG-CE2 4.28Å; M82-F239 HydrophobicContact SD-CD2 3.69Å; M82-F239 HydrophobicContact SD-CE2 3.53Å; M82-F239 VanDerWaalsContact SD-CE2 3.53Å; N83-F239 WeakPolarHBondContact O-CZ 3.2Å; G86-F239 VanDerWaalsContact N-CE1 3.34Å; L154-F239 HydrophobicContact CD1-CE2 3.97Å; G235-F239 WeakPolarHBondContact O-CD2 3.37Å; G235-F239 PolarHBondContact O-N 2.83Å; G235-F239 VanDerWaalsContact O-N 3.17Å; M236-F239 PolarHBondContact O-N 3Å; F239-R242 PolarHBondContact O-N 3.32Å; F239-E243 PolarHBondContact O-N 3.1Å; F239-E243 VanDerWaalsContact O-N 3.08Å |
| 240 | K | 98.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 29% | 0.291 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 176.2 | -171.4 | 60.6 | -179.7 | 169.6 | 0 | 112.2 | L216 L218 M236 F238 E243 M244 | L216-K240 HydrophobicContact CB-CG 4.15Å; L216-K240 HydrophobicContact CD2-CG 4.37Å; L218-K240 HydrophobicContact CD1-CB 4.43Å; L218-K240 HydrophobicContact CD2-CB 4.1Å; L218-K240 HydrophobicContact CD2-CG 4.12Å; M236-K240 VanDerWaalsContact O-CB 3.31Å; M236-K240 WeakPolarHBondContact O-CB 2.99Å; M236-K240 PolarHBondContact O-N 3.32Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.36Å; K240-E243 WeakPolarHBondContact CD-OE2 3.47Å; K240-E243 IonicContact NZ-OE2 2.83Å; K240-E243 PolarHBondContact NZ-OE2 3.22Å; K240-E243 PolarHBondContact O-N 3.35Å; K240-M244 HydrophobicContact CD-SD 4.16Å; K240-M244 HydrophobicContact CG-SD 3.96Å; K240-M244 WeakPolarHBondContact O-CB 3.45Å; K240-M244 VanDerWaalsContact O-CG 3.32Å; K240-M244 WeakPolarHBondContact O-CG 3.47Å; K240-M244 PolarHBondContact O-N 3.29Å; K240-M244 VanDerWaalsContact O-N 3.08Å |
| 241 | M | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.9 | -178.6 | -176.9 | 62.2 | 0 | 0 | 111.5 | V195 L198 M199 L205 L216 A237 F238 E243 M244 F245 F246 | V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.86Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.32Å; L198-M241 HydrophobicContact CB-CE 3.53Å; L198-M241 HydrophobicContact CB-SD 4.21Å; L198-M241 HydrophobicContact CD2-CE 3.67Å; L198-M241 HydrophobicContact CG-CE 4.23Å; M199-M241 HydrophobicContact CG-SD 3.94Å; L205-M241 HydrophobicContact CD2-SD 4.24Å; L216-M241 HydrophobicContact CD1-CB 4.39Å; A237-M241 WeakPolarHBondContact O-CB 3.46Å; A237-M241 PolarHBondContact O-N 3.2Å; F238-M241 PolarHBondContact O-N 3.22Å; M241-E243 PolarHBondContact O-N 3.09Å; M241-M244 PolarHBondContact O-N 3.42Å; M241-F245 HydrophobicContact CG-CD2 3.91Å; M241-F245 PolarHBondContact O-N 3.23Å; M241-F246 HydrophobicContact CE-CE2 4.28Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.9Å; M241-F246 HydrophobicContact SD-CE2 4.18Å |
| 242 | R | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 49 Ų | 49 | 6% | 0.064 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.3 | -169.4 | -173.9 | 70.5 | 173.6 | -1.4 | 111.6 | E84 F238 F239 F246 E247 D248 I250 | E84-R242 PolarHBondContact O-NH1 3.38Å; E84-R242 PolarHBondContact O-NH2 2.85Å; E84-R242 IonicContact OE1-NH1 2.88Å; E84-R242 PolarHBondContact OE1-NH1 2.81Å; F238-R242 WeakPolarHBondContact O-CB 3.42Å; F238-R242 PolarHBondContact O-N 3.43Å; F239-R242 PolarHBondContact O-N 3.32Å; R242-F246 HydrophobicContact CG-CB 4.46Å; R242-F246 CarbonylContact O-C 3.54Å; R242-F246 WeakPolarHBondContact O-CA 3.47Å; R242-F246 WeakPolarHBondContact O-CB 3.48Å; R242-F246 PolarHBondContact O-N 3.38Å; R242-F246 VanDerWaalsContact O-N 3.16Å; R242-E247 PolarHBondContact O-N 3Å; R242-D248 IonicContact NE-OD1 2.92Å; R242-D248 PolarHBondContact O-N 3.42Å; R242-I250 HydrophobicContact CG-CD1 4.01Å; R242-I250 HydrophobicContact CG-CG1 4.08Å |
| 243 | E | 97.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 174.4 | -179.5 | -166.3 | -166.8 | 0 | 0 | 110.8 | F239 K240 M241 | F239-E243 PolarHBondContact O-N 3.1Å; F239-E243 VanDerWaalsContact O-N 3.08Å; K240-E243 WeakPolarHBondContact CD-OE2 3.47Å; K240-E243 IonicContact NZ-OE2 2.83Å; K240-E243 PolarHBondContact NZ-OE2 3.22Å; K240-E243 PolarHBondContact O-N 3.35Å; M241-E243 PolarHBondContact O-N 3.09Å |
| 244 | M | 96.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.8 | -34.3 | -169.2 | -70.6 | 178 | 66.8 | 0 | 0 | 114.9 | L216 K240 M241 | L216-M244 HydrophobicContact CD2-CE 4.5Å; L216-M244 HydrophobicContact CD2-SD 3.88Å; K240-M244 HydrophobicContact CD-SD 4.16Å; K240-M244 HydrophobicContact CG-SD 3.96Å; K240-M244 WeakPolarHBondContact O-CB 3.45Å; K240-M244 VanDerWaalsContact O-CG 3.32Å; K240-M244 WeakPolarHBondContact O-CG 3.47Å; K240-M244 PolarHBondContact O-N 3.29Å; K240-M244 VanDerWaalsContact O-N 3.08Å; M241-M244 PolarHBondContact O-N 3.42Å |
| 245 | F | 96.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -120.1 | -12.5 | -168.1 | -62 | -83.7 | 0 | 0 | 0 | 114.2 | C202 L205 L216 M241 | C202-F245 HydrophobicContact CB-CD1 3.95Å; C202-F245 HydrophobicContact CB-CD2 4.4Å; C202-F245 HydrophobicContact CB-CE1 4.23Å; C202-F245 HydrophobicContact CB-CG 4.04Å; L205-F245 HydrophobicContact CD1-CE2 4.07Å; L205-F245 HydrophobicContact CD1-CZ 4.12Å; L216-F245 HydrophobicContact CD2-CE2 4.13Å; M241-F245 HydrophobicContact CG-CD2 3.91Å; M241-F245 PolarHBondContact O-N 3.23Å |
| 246 | F | 96.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -129.9 | 12.5 | -171.2 | -63 | -85.8 | 0 | 0 | 0 | 113.9 | L198 C202 M241 R242 D248 H249 I250 Y255 | L198-F246 HydrophobicContact CB-CE2 4.42Å; L198-F246 HydrophobicContact CB-CZ 4.13Å; L198-F246 HydrophobicContact CD2-CE2 4.39Å; L198-F246 HydrophobicContact CD2-CZ 4.38Å; L198-F246 HydrophobicContact CG-CZ 4.44Å; C202-F246 WeakPolarHBondContact SG-CE2 3.28Å; M241-F246 HydrophobicContact CE-CE2 4.28Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.9Å; M241-F246 HydrophobicContact SD-CE2 4.18Å; R242-F246 HydrophobicContact CG-CB 4.46Å; R242-F246 CarbonylContact O-C 3.54Å; R242-F246 WeakPolarHBondContact O-CA 3.47Å; R242-F246 WeakPolarHBondContact O-CB 3.48Å; R242-F246 PolarHBondContact O-N 3.38Å; R242-F246 VanDerWaalsContact O-N 3.16Å; F246-D248 PolarHBondContact O-N 3.48Å; F246-H249 WeakPolarHBondContact CB-O 3.48Å; F246-H249 PolarHBondContact O-N 3.48Å; F246-I250 HydrophobicContact CB-CD1 3.71Å; F246-I250 HydrophobicContact CD1-CD1 3.79Å; F246-I250 HydrophobicContact CD2-CD1 3.87Å; F246-I250 HydrophobicContact CE1-CD1 4.35Å; F246-I250 HydrophobicContact CE2-CD1 4.41Å; F246-I250 HydrophobicContact CG-CD1 3.52Å; F246-Y255 HydrophobicContact CD1-CE2 4.37Å; F246-Y255 HydrophobicContact CE1-CE1 4.43Å; F246-Y255 AromaticContact CE1-CE2 3.8Å; F246-Y255 HydrophobicContact CE1-CE2 3.8Å; F246-Y255 AromaticContact CE1-CZ 3.7Å |
| 247 | E | 96.5 | Very high | 97.1 | Very high | 184 Ų | 184 | 59.6 Ų | 59.6 | 86% | 0.86 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.9 | 176.1 | -56.5 | 178.1 | -172.5 | 0 | 0 | 112.4 | R242 H249 | R242-E247 PolarHBondContact O-N 3Å; E247-H249 PolarHBondContact O-N 2.77Å; E247-H249 VanDerWaalsContact O-N 3.15Å |
| 248 | D | 95.9 | Very high | 97 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 13.8 | -177 | -72 | -55.3 | 0 | 0 | 0 | 115.8 | R242 F246 | R242-D248 IonicContact NE-OD1 2.92Å; R242-D248 PolarHBondContact O-N 3.42Å; F246-D248 PolarHBondContact O-N 3.48Å |
| 249 | H | 96.6 | Very high | 96.8 | Very high | 136 Ų | 136 | 62.3 Ų | 62.3 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | trans | -137.7 | 127 | -177 | -175.9 | 68.9 | 0 | 0 | 0 | 113.6 | F246 E247 | F246-H249 WeakPolarHBondContact CB-O 3.48Å; F246-H249 PolarHBondContact O-N 3.48Å; E247-H249 PolarHBondContact O-N 2.77Å; E247-H249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | I | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | trans | -101.4 | 130.7 | 174.9 | -58.2 | -57.8 | 0 | 0 | 0 | 109.9 | Y193 L198 F238 R242 F246 D252 Y255 | Y193-I250 HydrophobicContact CD1-CG2 3.82Å; Y193-I250 HydrophobicContact CE1-CB 4.31Å; Y193-I250 HydrophobicContact CE1-CG2 3.51Å; L198-I250 HydrophobicContact CD2-CD1 3.7Å; L198-I250 HydrophobicContact CD2-CG1 4.32Å; L198-I250 HydrophobicContact CD2-CG2 4.45Å; F238-I250 HydrophobicContact CE2-CG1 4.22Å; F238-I250 HydrophobicContact CZ-CG1 4Å; R242-I250 HydrophobicContact CG-CD1 4.01Å; R242-I250 HydrophobicContact CG-CG1 4.08Å; F246-I250 HydrophobicContact CB-CD1 3.71Å; F246-I250 HydrophobicContact CD1-CD1 3.79Å; F246-I250 HydrophobicContact CD2-CD1 3.87Å; F246-I250 HydrophobicContact CE1-CD1 4.35Å; F246-I250 HydrophobicContact CE2-CD1 4.41Å; F246-I250 HydrophobicContact CG-CD1 3.52Å; I250-D252 PolarHBondContact O-N 2.99Å; I250-Y255 HydrophobicContact CG2-CD2 3.84Å; I250-Y255 HydrophobicContact CG2-CG 4.22Å | ||
| 251 | D | 97.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 43% | 0.428 | 31% | 0.31 | S | S | . | . | trans | -78.3 | 106.2 | 174 | 177 | 9.1 | 0 | 0 | 0 | 111.2 | A253 K254 Y255 | D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 PolarHBondContact O-N 3.27Å; D251-A253 PolarHBondContact OD1-N 2.81Å; D251-A253 VanDerWaalsContact OD1-N 3.09Å; D251-K254 HydrophobicContact CB-CB 4.2Å; D251-K254 PolarHBondContact O-N 2.85Å; D251-K254 VanDerWaalsContact O-N 3.11Å; D251-K254 WeakPolarHBondContact OD2-CB 3.34Å; D251-Y255 HydrophobicContact CB-CD2 4.3Å; D251-Y255 HydrophobicContact CB-CE2 4.42Å; D251-Y255 WeakPolarHBondContact O-CD2 3.49Å; D251-Y255 PolarHBondContact O-N 3.31Å | ||
| 252 | D | 96.4 | Very high | 95.8 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.6 | -40.7 | -179.7 | -74.6 | -5.8 | 0 | 0 | 0 | 112.8 | Y193 I250 K254 Y255 C256 | Y193-D252 PolarHBondContact OH-OD1 3.29Å; I250-D252 PolarHBondContact O-N 2.99Å; D252-K254 PolarHBondContact O-N 2.77Å; D252-K254 VanDerWaalsContact O-N 3.1Å; D252-Y255 PolarHBondContact O-N 2.97Å; D252-C256 HydrophobicContact CB-CB 4.16Å; D252-C256 WeakPolarHBondContact O-CB 3.43Å; D252-C256 PolarHBondContact O-N 3.47Å |
| 253 | A | 94.7 | Very high | 94.8 | Very high | 95 Ų | 95 | 60.2 Ų | 60.2 | 79% | 0.785 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.6 | -21.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D251 | D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 PolarHBondContact O-N 3.27Å; D251-A253 PolarHBondContact OD1-N 2.81Å; D251-A253 VanDerWaalsContact OD1-N 3.09Å |
| 254 | K | 95.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 61 Ų | 61 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -102.2 | -32.8 | -177.3 | -174 | 173.6 | 177.1 | -165.4 | 0 | 113.8 | D251 D252 H258 | D251-K254 HydrophobicContact CB-CB 4.2Å; D251-K254 PolarHBondContact O-N 2.85Å; D251-K254 VanDerWaalsContact O-N 3.11Å; D251-K254 WeakPolarHBondContact OD2-CB 3.34Å; D252-K254 PolarHBondContact O-N 2.77Å; D252-K254 VanDerWaalsContact O-N 3.1Å; K254-H258 PolarHBondContact O-CD2 3.01Å; K254-H258 VanDerWaalsContact O-CD2 3.29Å |
| 255 | Y | 96.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -120.5 | -23.2 | -168.1 | -60.4 | -68.1 | 0 | 0 | 0 | 114.4 | Y197 L198 S201 F246 I250 D251 D252 G257 | Y197-Y255 HydrophobicContact CD1-CD1 4.1Å; Y197-Y255 HydrophobicContact CE1-CD1 4Å; L198-Y255 HydrophobicContact CD1-CD1 4.47Å; L198-Y255 HydrophobicContact CG-CD1 4.07Å; L198-Y255 HydrophobicContact CG-CG 4.26Å; S201-Y255 WeakPolarHBondContact CB-OH 3.38Å; S201-Y255 WeakPolarHBondContact OG-CE1 3.2Å; S201-Y255 PolarHBondContact OG-OH 2.78Å; F246-Y255 HydrophobicContact CD1-CE2 4.37Å; F246-Y255 HydrophobicContact CE1-CE1 4.43Å; F246-Y255 AromaticContact CE1-CE2 3.8Å; F246-Y255 HydrophobicContact CE1-CE2 3.8Å; F246-Y255 AromaticContact CE1-CZ 3.7Å; I250-Y255 HydrophobicContact CG2-CD2 3.84Å; I250-Y255 HydrophobicContact CG2-CG 4.22Å; D251-Y255 HydrophobicContact CB-CD2 4.3Å; D251-Y255 HydrophobicContact CB-CE2 4.42Å; D251-Y255 WeakPolarHBondContact O-CD2 3.49Å; D251-Y255 PolarHBondContact O-N 3.31Å; D252-Y255 PolarHBondContact O-N 2.97Å; Y255-G257 PolarHBondContact O-N 3.07Å |
| 256 | C | 97.4 | Very high | 88.6 | Confident | 34 Ų | 34 | 55 Ų | 55 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 129.4 | -174.7 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | I192 Y193 D252 H258 | I192-C256 CarbonylContact O-C 3.59Å; I192-C256 WeakPolarHBondContact O-CA 3.34Å; Y193-C256 HydrophobicContact CE1-CB 4.12Å; D252-C256 HydrophobicContact CB-CB 4.16Å; D252-C256 WeakPolarHBondContact O-CB 3.43Å; D252-C256 PolarHBondContact O-N 3.47Å; C256-H258 VanDerWaalsContact C-N 3.29Å; C256-H258 PolarHBondContact O-N 3.13Å |
| 257 | G | 96.3 | Very high | 85.9 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | I192 Y255 | I192-G257 PolarHBondContact O-N 3.26Å; Y255-G257 PolarHBondContact O-N 3.07Å |
| 258 | H | 95.8 | Very high | 83.1 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -92 | 117.3 | 174.3 | -68.8 | -58.1 | 0 | 0 | 0 | 110.9 | D194 Y197 K254 C256 | D194-H258 WeakPolarHBondContact CB-O 3.38Å; Y197-H258 HydrophobicContact CD1-CB 3.77Å; Y197-H258 HydrophobicContact CD2-CB 4.01Å; Y197-H258 HydrophobicContact CE1-CB 3.65Å; Y197-H258 AromaticContact CE1-CD2 3.99Å; Y197-H258 AromaticContact CE1-CG 3.99Å; Y197-H258 HydrophobicContact CE2-CB 3.89Å; Y197-H258 HydrophobicContact CG-CB 3.96Å; Y197-H258 AromaticContact CZ-CG 3.86Å; K254-H258 PolarHBondContact O-CD2 3.01Å; K254-H258 VanDerWaalsContact O-CD2 3.29Å; C256-H258 VanDerWaalsContact C-N 3.29Å; C256-H258 PolarHBondContact O-N 3.13Å |
| 259 | L | 95.8 | Very high | 80.5 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 138.7 | 174.1 | -53 | -175.6 | 0 | 0 | 0 | 109.9 | F162 F181 F182 L185 I192 G261 L262 | F162-L259 HydrophobicContact CB-CD1 4.33Å; F162-L259 HydrophobicContact CD2-CD1 4.19Å; F162-L259 HydrophobicContact CD2-CD2 3.69Å; F162-L259 HydrophobicContact CE2-CD2 3.92Å; F181-L259 HydrophobicContact CE1-CD1 4.24Å; F182-L259 HydrophobicContact CE1-CD1 4.2Å; F182-L259 HydrophobicContact CE1-CG 4.08Å; F182-L259 HydrophobicContact CZ-CD1 4.29Å; F182-L259 HydrophobicContact CZ-CG 4.31Å; L185-L259 HydrophobicContact CD2-CD1 3.88Å; L185-L259 HydrophobicContact CD2-CG 4.45Å; I192-L259 HydrophobicContact CD1-CD2 4.49Å; I192-L259 HydrophobicContact CG2-CD2 3.84Å; L259-G261 PolarHBondContact O-N 3.11Å; L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CB-CD1 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.23Å; L259-L262 PolarHBondContact O-N 3.47Å |
| 260 | Y | 93.9 | Very high | 77.5 | Confident | 43 Ų | 43 | 61 Ų | 61 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 131.5 | 179.5 | -175.8 | -88.7 | 0 | 0 | 0 | 111.3 | H157 D194 K196 L262 | H157-Y260 AromaticContact CD2-CD1 3.67Å; H157-Y260 AromaticContact CE1-CD1 3.8Å; H157-Y260 AromaticContact CE1-CE1 3.8Å; H157-Y260 AromaticContact CG-CD1 3.98Å; H157-Y260 AromaticContact NE2-CD1 3.55Å; H157-Y260 AromaticContact NE2-CE1 3.91Å; D194-Y260 PolarHBondContact OD2-N 3.45Å; D194-Y260 VanDerWaalsContact OD2-N 3.1Å; K196-Y260 HydrophobicContact CB-CD2 4.15Å; K196-Y260 HydrophobicContact CB-CG 4.11Å; K196-Y260 HydrophobicContact CG-CD1 4.03Å; K196-Y260 HydrophobicContact CG-CD2 3.51Å; K196-Y260 HydrophobicContact CG-CE1 4.36Å; K196-Y260 HydrophobicContact CG-CE2 3.87Å; K196-Y260 HydrophobicContact CG-CG 3.59Å; Y260-L262 VanDerWaalsContact C-N 3.3Å; Y260-L262 PolarHBondContact O-N 3.49Å |
| 261 | G | 90.3 | Very high | 74.5 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 6% | 0.062 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -3.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L259 | L259-G261 PolarHBondContact O-N 3.11Š|
| 262 | L | 89.4 | Confident | 71.8 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | trans | -122.7 | 162.1 | 179.1 | -61 | 176.5 | 0 | 0 | 0 | 111.8 | Q61 L65 F182 L259 Y260 S266 A276 | Q61-L262 HydrophobicContact CB-CD2 4.04Å; L65-L262 HydrophobicContact CD1-CD1 3.75Å; F182-L262 HydrophobicContact CE2-CB 4.17Å; F182-L262 HydrophobicContact CZ-CB 3.95Å; L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CB-CD1 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.23Å; L259-L262 PolarHBondContact O-N 3.47Å; Y260-L262 VanDerWaalsContact C-N 3.3Å; Y260-L262 PolarHBondContact O-N 3.49Å; L262-S266 PolarHBondContact O-OG 3.18Å; L262-A276 HydrophobicContact CD1-CB 4.5Å; L262-A276 HydrophobicContact CD2-CB 3.67Å; L262-A276 HydrophobicContact CG-CB 3.84Å | ||
| 263 | G | 76.8 | Confident | 69.5 | Low | 12 Ų | 12 | 68.1 Ų | 68.1 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 70.6 | 167.7 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | E178 G265 S266 | E178-G263 PolarHBondContact OE1-N 2.98Å; G263-G265 PolarHBondContact O-N 3.39Å; G263-G265 VanDerWaalsContact O-N 3.13Å; G263-S266 VanDerWaalsContact O-CB 3.28Å; G263-S266 WeakPolarHBondContact O-CB 3.04Å; G263-S266 PolarHBondContact O-N 2.92Å; G263-S266 VanDerWaalsContact O-N 3.07Å; G263-S266 PolarHBondContact O-OG 3.46Å |
| 264 | S | 57.3 | Low | 67.8 | Low | 119 Ų | 119 | 64.3 Ų | 64.3 | 83% | 0.832 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -65.2 | -18 | -174.2 | -43.7 | 0 | 0 | 0 | 0 | 114.9 | S266 | S264-S266 PolarHBondContact O-N 3.32Š|
| 265 | G | 53.1 | Low | 66.9 | Low | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -69.4 | -9.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | G263 A267 | G263-G265 PolarHBondContact O-N 3.39Å; G263-G265 VanDerWaalsContact O-N 3.13Å; G265-A267 VanDerWaalsContact C-N 3.3Å; G265-A267 PolarHBondContact O-N 3.27Å |
| 266 | S | 49.5 | Very low | 65.6 | Low | 22 Ų | 22 | 60.7 Ų | 60.7 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -80.3 | -2.7 | 178 | -67.4 | 0 | 0 | 0 | 0 | 114 | L262 G263 S264 Y268 V269 | L262-S266 PolarHBondContact O-OG 3.18Å; G263-S266 VanDerWaalsContact O-CB 3.28Å; G263-S266 WeakPolarHBondContact O-CB 3.04Å; G263-S266 PolarHBondContact O-N 2.92Å; G263-S266 VanDerWaalsContact O-N 3.07Å; G263-S266 PolarHBondContact O-OG 3.46Å; S264-S266 PolarHBondContact O-N 3.32Å; S266-Y268 PolarHBondContact O-N 3.48Å; S266-V269 WeakPolarHBondContact O-CG2 3.37Å |
| 267 | A | 39.8 | Very low | 64.8 | Low | 92 Ų | 92 | 61.5 Ų | 61.5 | 76% | 0.76 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -65.6 | -17.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G265 V269 | G265-A267 VanDerWaalsContact C-N 3.3Å; G265-A267 PolarHBondContact O-N 3.27Å; A267-V269 PolarHBondContact O-N 3.22Å |
| 268 | Y | 38.2 | Very low | 63.9 | Low | 205 Ų | 205 | 64 Ų | 64 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | trans | -91.7 | 70.4 | 173.4 | -79.7 | -88.4 | 0 | 0 | 0 | 111.3 | K200 S266 | K200-Y268 PolarHBondContact NZ-O 3Å; S266-Y268 PolarHBondContact O-N 3.48Å | ||
| 269 | V | 41.7 | Very low | 62.8 | Low | 79 Ų | 79 | 67.2 Ų | 67.2 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | trans | -105.5 | 102.3 | 167.1 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | S266 A267 G272 | S266-V269 WeakPolarHBondContact O-CG2 3.37Å; A267-V269 PolarHBondContact O-N 3.22Å; V269-G272 WeakPolarHBondContact CG1-O 3.16Å | ||
| 270 | Q | 34.4 | Very low | 61.2 | Low | 188 Ų | 188 | 71.8 Ų | 71.8 | 88% | 0.879 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -94.9 | 114.5 | 156 | -107.6 | -177.2 | -15.6 | 0 | 0 | 107.5 | G272 | Q270-G272 PolarHBondContact O-N 3.43Š|
| 271 | N | 34.4 | Very low | 58.6 | Low | 169 Ų | 169 | 73.4 Ų | 73.4 | 90% | 0.904 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 64.4 | 34.1 | 159.8 | -63 | -10.3 | 0 | 0 | 0 | 119.7 | ||
| 272 | G | 40.2 | Very low | 55.8 | Low | 42 Ų | 42 | 79.6 Ų | 79.6 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -142.2 | 151.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V269 Q270 G274 | V269-G272 WeakPolarHBondContact CG1-O 3.16Å; Q270-G272 PolarHBondContact O-N 3.43Å; G272-G274 PolarHBondContact O-N 2.99Å |
| 273 | T | 48.9 | Very low | 53.2 | Low | 113 Ų | 113 | 88 Ų | 88 | 69% | 0.693 | 49% | 0.493 | S | S | * | . | trans | -68.9 | 100.6 | 169.9 | 41.7 | 0 | 0 | 0 | 0 | 108.3 | N275 | T273-N275 PolarHBondContact O-N 3.3Š| ||
| 274 | G | 58.7 | Low | 51.2 | Low | 15 Ų | 15 | 95.9 Ų | 95.9 | 16% | 0.155 | 53% | 0.526 | C | S | . | . | trans | -76 | 57.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G272 | G272-G274 PolarHBondContact O-N 2.99Š| ||
| 275 | N | 75.8 | Confident | 49.9 | Very low | 38 Ų | 38 | 99 Ų | 99 | 20% | 0.203 | 53% | 0.528 | C | S | . | . | trans | -80.6 | 143 | 179.7 | -66.6 | -8.8 | 0 | 0 | 0 | 110.3 | H157 T273 Y277 | H157-N275 PolarHBondContact CE1-O 3.18Å; H157-N275 PolarHBondContact NE2-O 2.89Å; T273-N275 PolarHBondContact O-N 3.3Å; N275-Y277 VanDerWaalsContact C-N 3.35Å | ||
| 276 | A | 68.9 | Low | 49 | Very low | 1 Ų | 1 | 107.2 Ų | 107.2 | 1% | 0.008 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -80.3 | -17.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q61 H157 L262 | Q61-A276 HydrophobicContact CB-CB 3.98Å; H157-A276 PolarHBondContact CD2-O 2.96Å; H157-A276 PolarHBondContact NE2-O 2.89Å; L262-A276 HydrophobicContact CD1-CB 4.5Å; L262-A276 HydrophobicContact CD2-CB 3.67Å; L262-A276 HydrophobicContact CG-CB 3.84Å |
| 277 | Y | 81.3 | Confident | 48.9 | Very low | 51 Ų | 51 | 111.5 Ų | 111.5 | 20% | 0.2 | 60% | 0.603 | C | S | . | * | S | Bend | trans | -86.2 | 132.8 | 172.2 | -178.2 | -116 | 0 | 0 | 0 | 110.2 | F43 V46 H157 Y160 N275 E279 | F43-Y277 HydrophobicContact CE2-CD2 4.4Å; F43-Y277 AromaticContact CE2-CE2 3.78Å; F43-Y277 HydrophobicContact CE2-CE2 3.78Å; F43-Y277 HydrophobicContact CZ-CD2 4.19Å; F43-Y277 AromaticContact CZ-CE2 3.8Å; F43-Y277 HydrophobicContact CZ-CE2 3.8Å; V46-Y277 HydrophobicContact CG2-CD1 4.36Å; V46-Y277 HydrophobicContact CG2-CD2 3.66Å; V46-Y277 HydrophobicContact CG2-CE1 4.39Å; V46-Y277 HydrophobicContact CG2-CE2 3.69Å; V46-Y277 HydrophobicContact CG2-CG 4.02Å; H157-Y277 PolarHBondContact CE1-O 3.05Å; H157-Y277 VanDerWaalsContact CE1-O 3.29Å; H157-Y277 PolarHBondContact NE2-O 2.91Å; Y160-Y277 HydrophobicContact CD1-CD2 4.38Å; Y160-Y277 HydrophobicContact CD2-CD2 4.11Å; Y160-Y277 HydrophobicContact CE1-CD2 4.16Å; Y160-Y277 AromaticContact CE2-CD2 3.9Å; Y160-Y277 HydrophobicContact CE2-CD2 3.9Å; Y160-Y277 HydrophobicContact CE2-CG 4.21Å; Y160-Y277 HydrophobicContact CG-CD2 4.35Å; Y160-Y277 AromaticContact CZ-CD2 3.9Å; N275-Y277 VanDerWaalsContact C-N 3.35Å; Y277-E279 HydrophobicContact CD1-CG 3.67Å; Y277-E279 HydrophobicContact CE1-CG 4.04Å; Y277-E279 PolarHBondContact O-N 3.49Å |
| 278 | E | 76.8 | Confident | 49.4 | Very low | 64 Ų | 64 | 112.5 Ų | 112.5 | 30% | 0.299 | 60% | 0.595 | S | S | . | * | trans | -76.6 | 101.9 | 170.3 | -173 | 159.3 | -155.5 | 0 | 0 | 108.9 | F156 H157 | F156-E278 WeakPolarHBondContact CE1-OE1 3.4Å; H157-E278 HydrophobicContact CB-CB 4.29Å | ||
| 279 | E | 73.4 | Confident | 50 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | trans | -81.4 | 128.8 | 172.8 | -72.2 | 177.7 | -176.2 | 0 | 0 | 109.8 | Y277 A281 | Y277-E279 HydrophobicContact CD1-CG 3.67Å; Y277-E279 HydrophobicContact CE1-CG 4.04Å; Y277-E279 PolarHBondContact O-N 3.49Å; E279-A281 PolarHBondContact O-N 2.87Å | ||
| 280 | E | 62.7 | Low | 50.5 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 45% | 0.449 | 59% | 0.59 | S | S | . | * | trans | -57.7 | 123.6 | 163.5 | -75.1 | -73.3 | 146.5 | 0 | 0 | 109.4 | L115 H225 N282 | L115-E280 HydrophobicContact CD2-CG 3.76Å; H225-E280 IonicContact CE1-OE1 2.65Å; H225-E280 PolarHBondContact CE1-OE1 3.42Å; H225-E280 IonicContact CE1-OE2 3.98Å; H225-E280 IonicContact ND1-OE1 3.55Å; H225-E280 PolarHBondContact ND1-OE1 3.31Å; H225-E280 IonicContact NE2-OE1 3.13Å; E280-N282 PolarHBondContact O-N 2.8Å | ||
| 281 | A | 39.2 | Very low | 51.5 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | trans | -69.7 | 86.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E279 K283 | E279-A281 PolarHBondContact O-N 2.87Å; A281-K283 VanDerWaalsContact C-N 3.27Å; A281-K283 PolarHBondContact O-N 3.45Å | ||
| 282 | N | 32.2 | Very low | 52.7 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -61.2 | 88.8 | 168.5 | -101.1 | -22.4 | 0 | 0 | 0 | 109.4 | E280 Q284 | E280-N282 PolarHBondContact O-N 2.8Å; N282-Q284 PolarHBondContact O-N 3.39Å | ||
| 283 | K | 34.4 | Very low | 53.6 | Low | 181 Ų | 181 | 103.9 Ų | 103.9 | 79% | 0.787 | 56% | 0.558 | S | S | * | * | trans | -77.2 | 71.6 | 159.8 | -77.9 | -179.8 | -174.9 | 157.4 | 0 | 108.5 | A281 | A281-K283 VanDerWaalsContact C-N 3.27Å; A281-K283 PolarHBondContact O-N 3.45Å | ||
| 284 | Q | 34.8 | Very low | 53.9 | Low | 176 Ų | 176 | 103.2 Ų | 103.2 | 82% | 0.822 | 55% | 0.547 | S | S | * | . | trans | -99.5 | 97.8 | 145.8 | -79.3 | -172.9 | 2.3 | 0 | 0 | 107.4 | N282 | N282-Q284 PolarHBondContact O-N 3.39Š| ||
| 285 | Q | 29.6 | Very low | 53.5 | Low | 185 Ų | 185 | 110.6 Ų | 110.6 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | trans | -147.1 | 113.9 | 152.5 | -103.7 | 177.9 | 15.5 | 0 | 0 | 110.2 | ||||
| 286 | S | 33.1 | Very low | 51.5 | Low | 197 Ų | 197 | 117.2 Ų | 117.2 | 100% | 1.378 | 61% | 0.614 | S | S | * | * | trans | 68.7 | 0 | 165.6 | 43.3 | 0 | 0 | 0 | 0 | 119.5 |
Retrieved 286 of 286 residues in 131.2 ms
(Link to these results)