| 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 | 28 | Very low | 48.1 | Very low | 233 Ų | 233 | 111.3 Ų | 111.3 | 100% | 1.148 | 68% | 0.677 | S | S | * | * | 0 | 112.3 | 0 | -73.4 | -92.5 | -88.1 | 0 | 0 | 105.6 | A3 | M1-A3 PolarHBondContact O-N 2.83Š| |||
| 2 | P | 34 | Very low | 52.2 | Low | 130 Ų | 130 | 104.3 Ų | 104.3 | 84% | 0.844 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.7 | -174.7 | 15.7 | -7.5 | 0 | 0 | 0 | 108.4 | A4 | P2-A4 PolarHBondContact O-N 3.05Š|
| 3 | A | 34.8 | Very low | 55.7 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 79% | 0.793 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 L5 | M1-A3 PolarHBondContact O-N 2.83Å; A3-L5 PolarHBondContact O-N 2.8Å |
| 4 | A | 37.2 | Very low | 58.8 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 137.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P2 A6 | P2-A4 PolarHBondContact O-N 3.05Å; A4-A6 PolarHBondContact O-N 3Å |
| 5 | L | 37.8 | Very low | 61.4 | Low | 180 Ų | 180 | 89.9 Ų | 89.9 | 94% | 0.942 | 54% | 0.54 | S | S | * | . | trans | -47.9 | 100.8 | 171.5 | -73.2 | 151.1 | 0 | 0 | 0 | 108.3 | A3 D7 | A3-L5 PolarHBondContact O-N 2.8Å; L5-D7 PolarHBondContact O-N 3.45Å | ||
| 6 | A | 41.6 | Very low | 63.8 | Low | 69 Ų | 69 | 85.4 Ų | 85.4 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | trans | -56 | 130.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | A4 T8 | A4-A6 PolarHBondContact O-N 3Å; A6-T8 PolarHBondContact O-N 2.7Å | ||
| 7 | D | 47.2 | Very low | 65.8 | Low | 97 Ų | 97 | 83.4 Ų | 83.4 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | trans | -54.3 | 116.6 | 176.8 | -174.5 | 0.9 | 0 | 0 | 0 | 107.7 | L5 S9 Q10 | L5-D7 PolarHBondContact O-N 3.45Å; D7-S9 PolarHBondContact O-N 3.47Å; D7-S9 PolarHBondContact OD1-N 2.81Å; D7-S9 PolarHBondContact OD1-OG 3.08Å; D7-S9 PolarHBondContact OD2-OG 2.78Å; D7-Q10 PolarHBondContact O-N 3.19Å | ||
| 8 | T | 54 | Low | 67.7 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -59.7 | -16.4 | -175.9 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | A6 Q10 I11 | A6-T8 PolarHBondContact O-N 2.7Å; T8-Q10 PolarHBondContact O-N 3.03Å; T8-I11 HydrophobicContact CG2-CD1 4.16Å; T8-I11 PolarHBondContact O-N 3.04Å |
| 9 | S | 54.2 | Low | 69.3 | Low | 79 Ų | 79 | 82.1 Ų | 82.1 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -63.5 | -20.6 | 171.5 | 78.2 | 0 | 0 | 0 | 0 | 114.2 | D7 | D7-S9 PolarHBondContact O-N 3.47Å; D7-S9 PolarHBondContact OD1-N 2.81Å; D7-S9 PolarHBondContact OD1-OG 3.08Å; D7-S9 PolarHBondContact OD2-OG 2.78Å |
| 10 | Q | 68.7 | Low | 70.8 | Confident | 119 Ų | 119 | 78.1 Ų | 78.1 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -89.9 | -12.2 | 179.6 | -76.9 | -173.7 | -27.1 | 0 | 0 | 114.3 | D7 T8 T92 | D7-Q10 PolarHBondContact O-N 3.19Å; T8-Q10 PolarHBondContact O-N 3.03Å; Q10-T92 WeakPolarHBondContact O-CA 3.15Å; Q10-T92 PolarHBondContact O-OG1 2.84Å |
| 11 | I | 91.5 | Very high | 72.1 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -47.1 | -173.7 | -61.8 | 177.5 | 0 | 0 | 0 | 111.1 | T8 T93 T94 I221 L232 | T8-I11 HydrophobicContact CG2-CD1 4.16Å; T8-I11 PolarHBondContact O-N 3.04Å; I11-T93 HydrophobicContact CG2-CG2 4.45Å; I11-T93 VanDerWaalsContact CG2-OG1 3.29Å; I11-T93 WeakPolarHBondContact CG2-OG1 3.5Å; I11-T93 PolarHBondContact O-N 2.85Å; I11-T93 PolarHBondContact O-OG1 3.17Å; I11-T94 PolarHBondContact O-N 3.12Å; I11-T94 VanDerWaalsContact O-N 3.1Å; I11-I221 HydrophobicContact CD1-CD1 4.3Å; I11-I221 HydrophobicContact CD1-CG2 4.12Å; I11-I221 HydrophobicContact CG2-CG2 4.35Å; I11-L232 HydrophobicContact CG2-CD2 4.01Å |
| 12 | I | 97.4 | Very high | 75.5 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.3 | -179.9 | -57.1 | 175.2 | 0 | 0 | 0 | 108.6 | T94 Q96 | I12-T94 CarbonylContact C-O 3.57Å; I12-T94 WeakPolarHBondContact CA-O 3.45Å; I12-T94 HydrophobicContact CG1-CG2 4.09Å; I12-T94 HydrophobicContact CG2-CG2 4.2Å; I12-Q96 HydrophobicContact CG2-CB 4.09Å |
| 13 | C | 98.1 | Very high | 78.5 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.4 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | V15 T92 T94 W95 Q96 | C13-V15 PolarHBondContact O-N 3.1Å; C13-T92 HydrophobicContact CB-CG2 3.48Å; C13-T92 VanDerWaalsContact CB-CG2 3.48Å; C13-T94 PolarHBondContact N-O 3.02Å; C13-W95 HydrophobicContact CB-CG 4.5Å; C13-Q96 PolarHBondContact O-N 3.05Å |
| 14 | E | 98.3 | Very high | 81.6 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.2 | 170.6 | -65.3 | -60.7 | 132.2 | 0 | 0 | 110.6 | N19 Q96 N98 | E14-N19 PolarHBondContact O-ND2 3.04Å; E14-Q96 PolarHBondContact OE1-NE2 3.25Å; E14-Q96 PolarHBondContact OE2-NE2 3.24Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.12Å; E14-N98 PolarHBondContact OE2-ND2 2.91Å |
| 15 | V | 98.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.9 | 178.5 | -161.5 | 0 | 0 | 0 | 0 | 109.6 | C13 N19 V20 E23 W95 Q96 F97 N98 I131 | C13-V15 PolarHBondContact O-N 3.1Å; V15-N19 WeakPolarHBondContact CA-OD1 3.48Å; V15-V20 HydrophobicContact CG1-CB 3.91Å; V15-V20 HydrophobicContact CG1-CG2 4.09Å; V15-E23 HydrophobicContact CG1-CB 4.19Å; V15-E23 HydrophobicContact CG1-CG 4.26Å; V15-E23 HydrophobicContact CG2-CB 4.22Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; V15-W95 HydrophobicContact CG2-CB 4.05Å; V15-W95 HydrophobicContact CG2-CG 4.24Å; V15-Q96 PolarHBondContact N-O 3.02Å; V15-F97 HydrophobicContact CB-CD1 3.71Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.33Å; V15-F97 HydrophobicContact CG1-CD1 3.76Å; V15-F97 HydrophobicContact CG1-CE1 3.87Å; V15-F97 HydrophobicContact CG2-CD1 4.01Å; V15-F97 HydrophobicContact CG2-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CZ 4.45Å; V15-N98 WeakPolarHBondContact O-CB 3.35Å; V15-N98 PolarHBondContact O-N 2.8Å; V15-N98 PolarHBondContact O-ND2 3.41Å; V15-N98 VanDerWaalsContact O-ND2 3.11Å; V15-I131 HydrophobicContact CB-CD1 4.23Å; V15-I131 HydrophobicContact CG1-CD1 3.98Å |
| 16 | W | 98.9 | Very high | 87.4 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | trans | -128 | 176.3 | 178.8 | -60.9 | 89.9 | 0 | 0 | 0 | 108.8 | S18 N19 V20 N98 K125 E129 I131 | W16-S18 PolarHBondContact O-N 3.46Å; W16-S18 VanDerWaalsContact O-N 3.1Å; W16-N19 PolarHBondContact N-OD1 2.99Å; W16-N19 PolarHBondContact O-N 3.47Å; W16-N19 PolarHBondContact O-OD1 3.36Å; W16-V20 PolarHBondContact O-N 3.12Å; W16-V20 VanDerWaalsContact O-N 3.08Å; W16-N98 HydrophobicContact CD2-CB 3.84Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CB 3.45Å; W16-N98 HydrophobicContact CZ2-CB 3.75Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; W16-K125 HydrophobicContact CD2-CD 4.28Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.1Å; W16-K125 HydrophobicContact CH2-CB 4.07Å; W16-K125 HydrophobicContact CH2-CD 3.71Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.64Å; W16-K125 HydrophobicContact CZ2-CG 4.26Å; W16-K125 HydrophobicContact CZ3-CB 4.13Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.72Å; W16-K125 VanDerWaalsContact NE1-NZ 3.18Å; W16-E129 HydrophobicContact CE3-CB 4.09Å; W16-I131 VanDerWaalsContact C-CG1 3.41Å | ||
| 17 | A | 98.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E129 | A17-E129 WeakPolarHBondContact CB-O 3.44Å; A17-E129 PolarHBondContact N-O 3.1Å |
| 18 | S | 98.6 | Very high | 92.5 | Very high | 108 Ų | 108 | 54.3 Ų | 54.3 | 76% | 0.755 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.9 | -176.6 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | W16 | W16-S18 PolarHBondContact O-N 3.46Å; W16-S18 VanDerWaalsContact O-N 3.1Å |
| 19 | N | 98.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -0.5 | -176.1 | 69.9 | -26.2 | 0 | 0 | 0 | 114.7 | E14 V15 W16 D21 E22 E23 | E14-N19 PolarHBondContact O-ND2 3.04Å; V15-N19 WeakPolarHBondContact CA-OD1 3.48Å; W16-N19 PolarHBondContact N-OD1 2.99Å; W16-N19 PolarHBondContact O-N 3.47Å; W16-N19 PolarHBondContact O-OD1 3.36Å; N19-D21 VanDerWaalsContact C-N 3.26Å; N19-D21 PolarHBondContact O-N 3.05Å; N19-E22 WeakPolarHBondContact O-CB 3.45Å; N19-E22 PolarHBondContact O-N 3.02Å; N19-E23 PolarHBondContact O-N 3.24Å |
| 20 | V | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.1 | -39.7 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | V15 W16 E22 E23 M24 F97 I131 Y135 F136 L139 | V15-V20 HydrophobicContact CG1-CB 3.91Å; V15-V20 HydrophobicContact CG1-CG2 4.09Å; W16-V20 PolarHBondContact O-N 3.12Å; W16-V20 VanDerWaalsContact O-N 3.08Å; V20-E22 PolarHBondContact O-N 3.34Å; V20-E23 PolarHBondContact O-N 3.23Å; V20-M24 HydrophobicContact CG2-CG 4.1Å; V20-M24 VanDerWaalsContact O-CB 3.27Å; V20-M24 WeakPolarHBondContact O-CB 2.99Å; V20-M24 WeakPolarHBondContact O-CG 3.46Å; V20-M24 PolarHBondContact O-N 3.33Å; V20-F97 HydrophobicContact CG2-CE1 4.45Å; V20-I131 HydrophobicContact CB-CD1 4.31Å; V20-I131 HydrophobicContact CB-CG1 4.43Å; V20-I131 HydrophobicContact CG2-CD1 4.13Å; V20-I131 HydrophobicContact CG2-CG2 4.36Å; V20-Y135 HydrophobicContact CG1-CD1 4.18Å; V20-Y135 HydrophobicContact CG1-CE1 3.81Å; V20-F136 HydrophobicContact CG2-CD2 4.37Å; V20-L139 HydrophobicContact CG1-CD1 4.16Å; V20-L139 HydrophobicContact CG2-CD1 3.84Å |
| 21 | D | 98.8 | Very high | 98 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 177.1 | -78 | -69.5 | 0 | 0 | 0 | 113.8 | N19 R25 Y135 | N19-D21 VanDerWaalsContact C-N 3.26Å; N19-D21 PolarHBondContact O-N 3.05Å; D21-R25 PolarHBondContact O-N 3.45Å; D21-Y135 PolarHBondContact OD1-OH 2.92Å; D21-Y135 PolarHBondContact OD2-OH 2.81Å |
| 22 | E | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 177.2 | -172.4 | -173.9 | 150.5 | 0 | 0 | 110.6 | N19 V20 R25 K26 | N19-E22 WeakPolarHBondContact O-CB 3.45Å; N19-E22 PolarHBondContact O-N 3.02Å; V20-E22 PolarHBondContact O-N 3.34Å; E22-R25 WeakPolarHBondContact O-CB 3.42Å; E22-R25 PolarHBondContact O-N 3.22Å; E22-K26 PolarHBondContact O-N 3.33Å; E22-K26 WeakPolarHBondContact OE1-CE 3.49Å; E22-K26 IonicContact OE1-NZ 2.81Å; E22-K26 PolarHBondContact OE1-NZ 3.18Å |
| 23 | E | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70 | -40.2 | -176.5 | -63 | -46.9 | 125.4 | 0 | 0 | 111.9 | V15 N19 V20 R25 K26 I27 W95 | V15-E23 HydrophobicContact CG1-CB 4.19Å; V15-E23 HydrophobicContact CG1-CG 4.26Å; V15-E23 HydrophobicContact CG2-CB 4.22Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; N19-E23 PolarHBondContact O-N 3.24Å; V20-E23 PolarHBondContact O-N 3.23Å; E23-R25 PolarHBondContact O-N 3.15Å; E23-K26 WeakPolarHBondContact O-CB 2.87Å; E23-K26 PolarHBondContact O-N 3.46Å; E23-K26 IonicContact OE1-NZ 2.7Å; E23-K26 PolarHBondContact OE1-NZ 3.47Å; E23-K26 WeakPolarHBondContact OE2-CD 3.39Å; E23-K26 IonicContact OE2-NZ 3.53Å; E23-I27 WeakPolarHBondContact O-CG1 3.4Å; E23-I27 PolarHBondContact O-N 2.93Å; E23-W95 PolarHBondContact OE2-NE1 3.09Å |
| 24 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.1 | -29.6 | 174.1 | -72.2 | -59.6 | -68.4 | 0 | 0 | 112.4 | V20 I27 R28 F97 F136 L139 L145 | V20-M24 HydrophobicContact CG2-CG 4.1Å; V20-M24 VanDerWaalsContact O-CB 3.27Å; V20-M24 WeakPolarHBondContact O-CB 2.99Å; V20-M24 WeakPolarHBondContact O-CG 3.46Å; V20-M24 PolarHBondContact O-N 3.33Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; M24-R28 VanDerWaalsContact O-CG 3.24Å; M24-R28 WeakPolarHBondContact O-CG 3.24Å; M24-R28 PolarHBondContact O-N 2.89Å; M24-F97 HydrophobicContact SD-CE1 3.99Å; M24-F97 HydrophobicContact SD-CZ 3.97Å; M24-F136 HydrophobicContact SD-CE2 4.21Å; M24-L139 HydrophobicContact CE-CB 4.03Å; M24-L139 HydrophobicContact CG-CB 4.15Å; M24-L139 HydrophobicContact CG-CD1 4.05Å; M24-L145 HydrophobicContact CE-CD1 4.24Å |
| 25 | R | 98.4 | Very high | 98.2 | Very high | 140 Ų | 140 | 56.6 Ų | 56.6 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 172.7 | -170.4 | -175.9 | -60.9 | 100.6 | 5.1 | 112 | D21 E22 E23 | D21-R25 PolarHBondContact O-N 3.45Å; E22-R25 WeakPolarHBondContact O-CB 3.42Å; E22-R25 PolarHBondContact O-N 3.22Å; E23-R25 PolarHBondContact O-N 3.15Å |
| 26 | K | 98.1 | Very high | 98.2 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68 | -45.1 | 176.2 | -64 | 170.3 | -171 | 159.5 | 0 | 110.5 | E22 E23 R28 Q29 I30 | E22-K26 PolarHBondContact O-N 3.33Å; E22-K26 WeakPolarHBondContact OE1-CE 3.49Å; E22-K26 IonicContact OE1-NZ 2.81Å; E22-K26 PolarHBondContact OE1-NZ 3.18Å; E23-K26 WeakPolarHBondContact O-CB 2.87Å; E23-K26 PolarHBondContact O-N 3.46Å; E23-K26 IonicContact OE1-NZ 2.7Å; E23-K26 PolarHBondContact OE1-NZ 3.47Å; E23-K26 WeakPolarHBondContact OE2-CD 3.39Å; E23-K26 IonicContact OE2-NZ 3.53Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.34Å; K26-Q29 WeakPolarHBondContact O-CB 3.27Å; K26-Q29 PolarHBondContact O-N 2.97Å; K26-I30 WeakPolarHBondContact O-CG1 3.37Å; K26-I30 PolarHBondContact O-N 3.02Å |
| 27 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 178.8 | -68.2 | 167.2 | 0 | 0 | 0 | 111.8 | E23 M24 Q29 I30 I31 F81 W95 F97 L145 | E23-I27 WeakPolarHBondContact O-CG1 3.4Å; E23-I27 PolarHBondContact O-N 2.93Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; I27-Q29 PolarHBondContact O-N 3.38Å; I27-Q29 VanDerWaalsContact O-N 3.12Å; I27-I30 PolarHBondContact O-N 2.99Å; I27-I30 VanDerWaalsContact O-N 3.09Å; I27-I31 PolarHBondContact O-N 2.84Å; I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.26Å; I27-F81 HydrophobicContact CG1-CZ 4.27Å; I27-F81 HydrophobicContact CG2-CE1 3.94Å; I27-F81 HydrophobicContact CG2-CE2 4.28Å; I27-F81 HydrophobicContact CG2-CZ 3.48Å; I27-F81 VanDerWaalsContact CG2-CZ 3.48Å; I27-W95 HydrophobicContact CD1-CB 4.24Å; I27-W95 HydrophobicContact CD1-CD2 3.84Å; I27-W95 HydrophobicContact CD1-CE3 4.41Å; I27-W95 HydrophobicContact CD1-CG 3.74Å; I27-W95 HydrophobicContact CG1-CD2 3.81Å; I27-W95 HydrophobicContact CG1-CE3 4.13Å; I27-W95 HydrophobicContact CG1-CG 4.24Å; I27-W95 HydrophobicContact CG1-CZ2 4.23Å; I27-F97 HydrophobicContact CD1-CE1 4.5Å; I27-F97 HydrophobicContact CD1-CE2 4.38Å; I27-F97 HydrophobicContact CD1-CZ 3.59Å; I27-L145 HydrophobicContact CG2-CD1 3.78Å; I27-L145 HydrophobicContact CG2-CD2 3.84Å; I27-L145 HydrophobicContact CG2-CG 4.17Å |
| 28 | R | 98.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.6 | -24.7 | 174.7 | -76.5 | 171.2 | -172.9 | 158.3 | 4.5 | 114 | M24 K26 L139 | M24-R28 VanDerWaalsContact O-CG 3.24Å; M24-R28 WeakPolarHBondContact O-CG 3.24Å; M24-R28 PolarHBondContact O-N 2.89Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.34Å; R28-L139 PolarHBondContact NH2-O 2.98Å |
| 29 | Q | 97.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 48.4 Ų | 48.4 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -85.6 | -43.3 | 174.2 | -63.5 | 176.8 | -13.3 | 0 | 0 | 111.1 | K26 I27 I31 Q32 | K26-Q29 WeakPolarHBondContact O-CB 3.27Å; K26-Q29 PolarHBondContact O-N 2.97Å; I27-Q29 PolarHBondContact O-N 3.38Å; I27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-I31 PolarHBondContact O-N 2.94Å; Q29-Q32 WeakPolarHBondContact O-CB 3.45Å; Q29-Q32 PolarHBondContact O-N 3.11Å |
| 30 | I | 96.9 | Very high | 98.2 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | -176.5 | -71.7 | 173.3 | 0 | 0 | 0 | 111.9 | K26 I27 Q32 S33 Y34 F81 P89 W95 | K26-I30 WeakPolarHBondContact O-CG1 3.37Å; K26-I30 PolarHBondContact O-N 3.02Å; I27-I30 PolarHBondContact O-N 2.99Å; I27-I30 VanDerWaalsContact O-N 3.09Å; I30-Q32 PolarHBondContact O-N 2.91Å; I30-S33 PolarHBondContact O-N 2.94Å; I30-Y34 HydrophobicContact CG2-CD2 3.97Å; I30-Y34 HydrophobicContact CG2-CG 4.2Å; I30-Y34 PolarHBondContact O-N 2.83Å; I30-F81 HydrophobicContact CG2-CB 3.81Å; I30-F81 HydrophobicContact CG2-CD1 3.96Å; I30-F81 HydrophobicContact CG2-CG 3.89Å; I30-P89 HydrophobicContact CD1-CB 4.28Å; I30-P89 HydrophobicContact CD1-CG 4.39Å; I30-P89 HydrophobicContact CG1-CB 4.43Å; I30-P89 HydrophobicContact CG2-CB 4.2Å; I30-P89 HydrophobicContact CG2-CG 4.11Å; I30-W95 HydrophobicContact CD1-CH2 3.22Å; I30-W95 HydrophobicContact CD1-CZ2 3.9Å; I30-W95 HydrophobicContact CD1-CZ3 4.05Å |
| 31 | I | 97.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.6 | -176.8 | -167 | 51.7 | 0 | 0 | 0 | 113.4 | I27 Q29 S33 I37 F81 L145 V151 | I27-I31 PolarHBondContact O-N 2.84Å; Q29-I31 PolarHBondContact O-N 2.94Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 2.81Å; I31-I37 HydrophobicContact CD1-CD1 3.8Å; I31-I37 HydrophobicContact CD1-CG1 4.04Å; I31-F81 HydrophobicContact CD1-CD1 4.46Å; I31-F81 HydrophobicContact CD1-CE1 4.22Å; I31-L145 HydrophobicContact CB-CD2 4.39Å; I31-L145 HydrophobicContact CD1-CD2 3.94Å; I31-L145 HydrophobicContact CG1-CD2 4.02Å; I31-V151 HydrophobicContact CD1-CG1 4.24Å; I31-V151 HydrophobicContact CD1-CG2 3.95Å; I31-V151 HydrophobicContact CG1-CG2 4.18Å |
| 32 | Q | 96 | Very high | 98.2 | Very high | 156 Ų | 156 | 43.8 Ų | 43.8 | 73% | 0.729 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24 | 177.1 | -58.5 | -175.9 | 0.2 | 0 | 0 | 113.4 | Q29 I30 | Q29-Q32 WeakPolarHBondContact O-CB 3.45Å; Q29-Q32 PolarHBondContact O-N 3.11Å; I30-Q32 PolarHBondContact O-N 2.91Å |
| 33 | S | 97.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 40.4 Ų | 40.4 | 58% | 0.58 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -20.2 | -178.1 | -56 | 0 | 0 | 0 | 0 | 113.4 | I30 I31 | I30-S33 PolarHBondContact O-N 2.94Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 2.81Å |
| 34 | Y | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 40 Ų | 40 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | trans | -122.1 | 80.3 | -179.3 | -61.2 | -90.2 | 0 | 0 | 0 | 108.5 | I30 M82 N83 D87 Y88 P89 | I30-Y34 HydrophobicContact CG2-CD2 3.97Å; I30-Y34 HydrophobicContact CG2-CG 4.2Å; I30-Y34 PolarHBondContact O-N 2.83Å; Y34-M82 CarbonylContact C-O 3.58Å; Y34-M82 WeakPolarHBondContact CA-O 3.49Å; Y34-M82 WeakPolarHBondContact CB-O 3.38Å; Y34-N83 HydrophobicContact CD1-CB 3.89Å; Y34-N83 HydrophobicContact CE1-CB 4.21Å; Y34-D87 WeakPolarHBondContact CD1-O 3.35Å; Y34-D87 WeakPolarHBondContact CE1-O 3.4Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.41Å; Y34-Y88 PolarHBondContact OH-O 3.49Å; Y34-P89 HydrophobicContact CD1-CB 4.38Å; Y34-P89 HydrophobicContact CD2-CB 3.88Å; Y34-P89 HydrophobicContact CE1-CB 4.25Å; Y34-P89 VanDerWaalsContact CE1-N 3.25Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.22Å; Y34-P89 HydrophobicContact CG-CG 4.47Å | ||
| 35 | N | 98.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | trans | -94 | 3.3 | -170.4 | 66.2 | -35.4 | 0 | 0 | 0 | 114.5 | M82 N150 K152 | N35-M82 PolarHBondContact N-O 3.19Å; N35-N150 WeakPolarHBondContact CB-O 3.4Å; N35-N150 PolarHBondContact ND2-O 3.05Å; N35-K152 PolarHBondContact O-N 2.56Å | ||
| 36 | F | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.4 | 168.5 | -77.7 | -109.9 | 0 | 0 | 0 | 109.1 | M82 E84 K152 L154 F238 F239 | F36-M82 HydrophobicContact CB-CB 4.17Å; F36-M82 WeakPolarHBondContact CB-O 3.37Å; F36-M82 PolarHBondContact N-O 2.88Å; F36-M82 PolarHBondContact O-N 2.8Å; F36-E84 HydrophobicContact CE2-CB 3.99Å; F36-E84 HydrophobicContact CE2-CG 4.29Å; F36-K152 CarbonylContact C-O 3.55Å; F36-K152 WeakPolarHBondContact CA-O 3.38Å; F36-K152 HydrophobicContact CD1-CB 3.95Å; F36-K152 HydrophobicContact CD1-CD 4.3Å; F36-K152 HydrophobicContact CD2-CB 4.49Å; F36-K152 HydrophobicContact CD2-CD 4.43Å; F36-K152 HydrophobicContact CE1-CB 4.06Å; F36-K152 HydrophobicContact CE1-CD 3.59Å; F36-K152 HydrophobicContact CE1-CG 4.47Å; F36-K152 HydrophobicContact CE2-CD 3.72Å; F36-K152 HydrophobicContact CG-CB 4.21Å; F36-K152 HydrophobicContact CZ-CB 4.4Å; F36-K152 HydrophobicContact CZ-CD 3.27Å; F36-K152 HydrophobicContact CZ-CG 4.41Å; F36-L154 HydrophobicContact CB-CD1 4.37Å; F36-L154 HydrophobicContact CD1-CD1 4.1Å; F36-L154 HydrophobicContact CD1-CD2 4.04Å; F36-L154 HydrophobicContact CD1-CG 4.3Å; F36-F238 HydrophobicContact CD1-CE1 4.21Å; F36-F238 HydrophobicContact CE1-CE1 4.02Å; F36-F238 HydrophobicContact CE1-CZ 4.38Å; F36-F239 HydrophobicContact CB-CE2 4.43Å; F36-F239 HydrophobicContact CB-CZ 4.24Å; F36-F239 HydrophobicContact CD1-CE2 4.4Å; F36-F239 AromaticContact CD1-CZ 3.81Å; F36-F239 HydrophobicContact CD1-CZ 3.81Å; F36-F239 HydrophobicContact CE1-CZ 4.24Å; F36-F239 AromaticContact CG-CZ 3.98Å; F36-F239 HydrophobicContact CG-CZ 3.98Å |
| 37 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 107.9 | -177.8 | -52.2 | 169.5 | 0 | 0 | 0 | 108.1 | I31 L79 S80 F81 L145 V151 K152 W153 L154 | I31-I37 HydrophobicContact CD1-CD1 3.8Å; I31-I37 HydrophobicContact CD1-CG1 4.04Å; I37-L79 HydrophobicContact CG2-CB 4.25Å; I37-L79 HydrophobicContact CG2-CD2 3.93Å; I37-S80 CarbonylContact C-O 3.05Å; I37-S80 WeakPolarHBondContact CA-O 3.49Å; I37-F81 HydrophobicContact CD1-CE1 4.29Å; I37-F81 HydrophobicContact CG1-CD1 4.18Å; I37-F81 HydrophobicContact CG1-CE1 3.98Å; I37-L145 HydrophobicContact CD1-CB 4.31Å; I37-L145 HydrophobicContact CD1-CD2 3.45Å; I37-L145 VanDerWaalsContact CD1-CD2 3.45Å; I37-L145 HydrophobicContact CG1-CD2 4.4Å; I37-V151 HydrophobicContact CD1-CG1 3.32Å; I37-V151 HydrophobicContact CG1-CG1 3.96Å; I37-K152 PolarHBondContact N-O 3.19Å; I37-W153 HydrophobicContact CB-CD2 4.36Å; I37-W153 HydrophobicContact CB-CE3 4.4Å; I37-W153 HydrophobicContact CD1-CD2 4.46Å; I37-W153 HydrophobicContact CD1-CH2 4.34Å; I37-W153 HydrophobicContact CD1-CZ2 3.78Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.28Å; I37-W153 HydrophobicContact CG2-CZ3 4.02Å; I37-W153 CarbonylContact O-C 3.57Å; I37-W153 WeakPolarHBondContact O-CA 3.41Å; I37-L154 PolarHBondContact O-N 3.09Å |
| 38 | A | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L79 S80 M82 L154 S231 T234 | A38-L79 WeakPolarHBondContact O-CA 3.27Å; A38-S80 PolarHBondContact N-O 3.12Å; A38-S80 PolarHBondContact O-N 3.43Å; A38-M82 HydrophobicContact CB-CE 3.6Å; A38-L154 CarbonylContact C-O 3.5Å; A38-L154 VanDerWaalsContact CA-O 3.29Å; A38-L154 WeakPolarHBondContact CA-O 3.48Å; A38-L154 HydrophobicContact CB-CB 4Å; A38-L154 HydrophobicContact CB-CD1 4.42Å; A38-S231 WeakPolarHBondContact CB-O 3.34Å; A38-T234 HydrophobicContact CB-CG2 4.38Å |
| 39 | M | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.1 | -172.4 | 179.3 | -84.3 | -62.2 | 0 | 0 | 112 | T41 L77 G78 L79 W153 L154 D161 F162 L165 | M39-T41 HydrophobicContact SD-CG2 3.83Å; M39-L77 HydrophobicContact CG-CD1 3.45Å; M39-L77 VanDerWaalsContact CG-CD1 3.45Å; M39-L77 HydrophobicContact SD-CD1 3.89Å; M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.38Å; M39-L79 HydrophobicContact CB-CD2 3.87Å; M39-L79 HydrophobicContact CG-CD2 3.64Å; M39-W153 HydrophobicContact CB-CE3 3.93Å; M39-W153 HydrophobicContact CB-CZ3 3.86Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.96Å; M39-L154 PolarHBondContact N-O 2.88Å; M39-D161 HydrophobicContact CE-CB 3.63Å; M39-D161 HydrophobicContact SD-CB 3.69Å; M39-F162 HydrophobicContact CE-CD1 4.25Å; M39-F162 HydrophobicContact CE-CD2 4.36Å; M39-F162 HydrophobicContact CE-CE1 4Å; M39-F162 HydrophobicContact CE-CE2 4.11Å; M39-F162 HydrophobicContact CE-CG 4.43Å; M39-F162 HydrophobicContact CE-CZ 3.91Å; M39-L165 HydrophobicContact CE-CD1 3.82Å; M39-L165 HydrophobicContact CG-CD1 4.43Å; M39-L165 HydrophobicContact SD-CD1 4.29Å |
| 40 | D | 98.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.7 | 167.8 | -162.3 | 71.9 | 0 | 0 | 0 | 110.4 | G78 A227 D230 K284 | D40-G78 PolarHBondContact N-O 3.31Å; D40-G78 PolarHBondContact O-N 2.64Å; D40-A227 WeakPolarHBondContact O-CB 3.46Å; D40-D230 HydrophobicContact CB-CB 3.97Å; D40-K284 VanDerWaalsContact CG-CE 3.47Å; D40-K284 WeakPolarHBondContact OD1-CE 3.45Å; D40-K284 IonicContact OD1-NZ 3.32Å; D40-K284 PolarHBondContact OD1-NZ 3.4Å; D40-K284 WeakPolarHBondContact OD2-CE 3.41Å; D40-K284 IonicContact OD2-NZ 3.55Å; D40-K284 PolarHBondContact OD2-NZ 3.37Å |
| 41 | T | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.7 | 175.4 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | M39 I74 Q76 L77 D161 K284 | M39-T41 HydrophobicContact SD-CG2 3.83Å; T41-I74 HydrophobicContact CG2-CD1 3.82Å; T41-Q76 CarbonylContact C-O 3.55Å; T41-Q76 VanDerWaalsContact CA-O 3.26Å; T41-Q76 WeakPolarHBondContact CA-O 3.49Å; T41-Q76 WeakPolarHBondContact CB-O 3.21Å; T41-L77 HydrophobicContact CG2-CD1 3.66Å; T41-D161 WeakPolarHBondContact CB-OD1 3.37Å; T41-D161 HydrophobicContact CG2-CB 4.01Å; T41-D161 PolarHBondContact N-OD1 2.83Å; T41-D161 PolarHBondContact OG1-OD1 2.82Å; T41-K284 PolarHBondContact O-NZ 3.24Å |
| 42 | E | 98.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.4 | 167.1 | -61.1 | -62.7 | 170.8 | 0 | 0 | 110.2 | I75 Q76 L116 H225 A227 H285 | E42-I75 WeakPolarHBondContact O-CA 3.27Å; E42-I75 WeakPolarHBondContact O-CB 3.5Å; E42-I75 PolarHBondContact O-N 2.9Å; E42-Q76 HydrophobicContact CB-CB 4.05Å; E42-Q76 HydrophobicContact CG-CB 4.35Å; E42-Q76 PolarHBondContact N-O 2.9Å; E42-Q76 PolarHBondContact O-N 3.04Å; E42-L116 HydrophobicContact CB-CD2 4.03Å; E42-L116 HydrophobicContact CG-CD2 4.06Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.45Å; E42-H225 WeakPolarHBondContact OE1-CA 3.29Å; E42-A227 HydrophobicContact CG-CB 4.14Å; E42-H285 IonicContact OE2-CE1 2.86Å |
| 43 | F | 97.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | trans | -151.9 | 164.1 | -176.1 | 62.5 | -95.8 | 0 | 0 | 0 | 110.3 | G45 Y160 Y164 | F43-G45 WeakPolarHBondContact CE2-O 3.19Å; F43-G45 PolarHBondContact O-N 3.47Å; F43-Y160 HydrophobicContact CE1-CG 4.39Å; F43-Y160 AromaticContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CE1 4.36Å; F43-Y160 HydrophobicContact CE2-CG 4.32Å; F43-Y160 AromaticContact CZ-CD1 3.7Å; F43-Y160 HydrophobicContact CZ-CD1 3.7Å; F43-Y160 AromaticContact CZ-CG 3.73Å; F43-Y160 HydrophobicContact CZ-CG 3.73Å; F43-Y164 HydrophobicContact CB-CD2 4.34Å; F43-Y164 HydrophobicContact CB-CE1 4.44Å; F43-Y164 HydrophobicContact CB-CE2 3.54Å; F43-Y164 WeakPolarHBondContact CB-OH 3.41Å; F43-Y164 AromaticContact CD1-CD2 3.97Å; F43-Y164 HydrophobicContact CD1-CD2 3.97Å; F43-Y164 AromaticContact CD1-CE2 3.47Å; F43-Y164 HydrophobicContact CD1-CE2 3.47Å; F43-Y164 VanDerWaalsContact CD1-CE2 3.47Å; F43-Y164 AromaticContact CD2-CE2 3.66Å; F43-Y164 HydrophobicContact CD2-CE2 3.66Å; F43-Y164 AromaticContact CD2-CZ 3.97Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.36Å; F43-Y164 HydrophobicContact CE1-CD2 4.48Å; F43-Y164 HydrophobicContact CE1-CE2 4.02Å; F43-Y164 HydrophobicContact CE2-CE2 4.19Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.27Å; F43-Y164 HydrophobicContact CG-CE2 3.27Å; F43-Y164 AromaticContact CG-CZ 3.74Å; F43-Y164 HydrophobicContact CZ-CE2 4.35Å | ||
| 44 | P | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -81.5 | 36.2 | -166.5 | 33.8 | -37.7 | 0 | 0 | 0 | 114 | L72 K73 I75 F101 Y108 S109 I113 | P44-L72 HydrophobicContact CG-CB 3.99Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.09Å; P44-L72 HydrophobicContact CG-CG 4.33Å; P44-K73 WeakPolarHBondContact CD-O 3.31Å; P44-I75 HydrophobicContact CB-CD1 4.14Å; P44-I75 HydrophobicContact CG-CD1 4.5Å; P44-F101 HydrophobicContact CB-CE2 4.43Å; P44-F101 HydrophobicContact CB-CZ 4Å; P44-F101 HydrophobicContact CG-CE2 3.96Å; P44-F101 HydrophobicContact CG-CZ 3.97Å; P44-Y108 VanDerWaalsContact CB-CB 3.46Å; P44-S109 WeakPolarHBondContact O-CB 3.48Å; P44-S109 PolarHBondContact O-N 3.25Å; P44-I113 HydrophobicContact CB-CD1 4.19Å | ||
| 45 | G | 92.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | trans | 75.3 | -143.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F43 L72 S112 | F43-G45 WeakPolarHBondContact CE2-O 3.19Å; F43-G45 PolarHBondContact O-N 3.47Å; G45-L72 WeakPolarHBondContact O-CD1 3.46Å; G45-S112 WeakPolarHBondContact CA-OG 3.38Å | ||
| 46 | V | 90.2 | Very high | 92 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | trans | -128.4 | 123 | -176 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | L64 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.21Å; V46-N68 WeakPolarHBondContact CA-OD1 3.44Å; V46-N68 WeakPolarHBondContact CG1-ND2 3.45Å; V46-Y160 HydrophobicContact CG2-CE1 4.18Å | ||
| 47 | V | 90.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -115 | -20.6 | -175.3 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | N68 L71 L72 | V47-N68 PolarHBondContact N-OD1 2.95Å; V47-L71 HydrophobicContact CG2-CD2 3.66Å; V47-L72 HydrophobicContact CG1-CD1 4.48Å; V47-L72 HydrophobicContact CG1-CD2 4.18Å; V47-L72 HydrophobicContact CG2-CD1 4.17Å; V47-L72 HydrophobicContact CG2-CD2 3.78Å; V47-L72 HydrophobicContact CG2-CG 4.19Å | ||
| 48 | V | 90.6 | Very high | 90.6 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | trans | -128.6 | 152.9 | -177.2 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | L64 C67 N68 L71 | V48-L64 WeakPolarHBondContact O-CD1 3.43Å; V48-C67 HydrophobicContact CG2-CB 4.23Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.33Å; V48-N68 PolarHBondContact N-OD1 3.37Å; V48-N68 PolarHBondContact O-ND2 2.88Å; V48-L71 HydrophobicContact CG1-CD2 3.94Å; V48-L71 HydrophobicContact CG2-CD2 4.04Å | ||
| 49 | R | 90.9 | Very high | 90 | Very high | 180 Ų | 180 | 63.2 Ų | 63.2 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | trans | -119.1 | 135.2 | 168.2 | -66.8 | -178.2 | -178.1 | -100 | 3.1 | 108.7 | L64 | R49-L64 HydrophobicContact CB-CD1 4.47Å; R49-L64 HydrophobicContact CG-CD1 4.16Å | ||
| 50 | P | 87.2 | Confident | 89.7 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -68.2 | 138.1 | 178.6 | 31.3 | -35.3 | 0 | 0 | 0 | 109.5 | F54 Y60 Q63 L64 | P50-F54 HydrophobicContact CB-CE1 4.03Å; P50-F54 HydrophobicContact CB-CZ 3.72Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.68Å; P50-Y60 HydrophobicContact CG-CD2 4.21Å; P50-Y60 HydrophobicContact CG-CE2 3.89Å; P50-Q63 HydrophobicContact CB-CB 4.25Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; P50-L64 HydrophobicContact CG-CB 4.37Å | ||
| 51 | I | 85.2 | Confident | 89.4 | Confident | 177 Ų | 177 | 68.9 Ų | 68.9 | 91% | 0.908 | 35% | 0.354 | S | S | * | . | trans | -103.3 | 127.2 | 177.9 | -58.5 | 174.6 | 0 | 0 | 0 | 107.9 | ||||
| 52 | G | 84.6 | Confident | 89.2 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 154.8 | -176.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F54 | G52-F54 WeakPolarHBondContact O-CD2 3.47Å; G52-F54 WeakPolarHBondContact O-CE2 3.42Å |
| 53 | E | 82 | Confident | 89.1 | Confident | 201 Ų | 201 | 69.8 Ų | 69.8 | 94% | 0.939 | 36% | 0.359 | S | S | * | . | trans | -90 | 136.1 | 167.2 | -65.4 | -172.4 | 168.3 | 0 | 0 | 109.4 | ||||
| 54 | F | 86.6 | Confident | 89 | Confident | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | trans | -117.7 | 144.6 | -178.1 | -57.3 | -85.2 | 0 | 0 | 0 | 110 | P50 G52 S56 Y60 Q63 | P50-F54 HydrophobicContact CB-CE1 4.03Å; P50-F54 HydrophobicContact CB-CZ 3.72Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.68Å; G52-F54 WeakPolarHBondContact O-CD2 3.47Å; G52-F54 WeakPolarHBondContact O-CE2 3.42Å; F54-S56 PolarHBondContact O-N 2.96Å; F54-Y60 HydrophobicContact CD1-CD2 4.15Å; F54-Y60 AromaticContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CE2 4.36Å; F54-Y60 HydrophobicContact CD2-CG 4.4Å; F54-Y60 HydrophobicContact CE1-CD2 4.06Å; F54-Y60 AromaticContact CE2-CD2 3.47Å; F54-Y60 HydrophobicContact CE2-CD2 3.47Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.47Å; F54-Y60 AromaticContact CE2-CE2 3.89Å; F54-Y60 HydrophobicContact CE2-CE2 3.89Å; F54-Y60 AromaticContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CG 4.46Å; F54-Y60 AromaticContact CZ-CD2 3.74Å; F54-Y60 HydrophobicContact CZ-CD2 3.74Å; F54-Y60 HydrophobicContact CZ-CE2 4.14Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.06Å; F54-Q63 HydrophobicContact CE1-CB 3.8Å; F54-Q63 HydrophobicContact CE1-CG 3.92Å | ||
| 55 | R | 81.7 | Confident | 89 | Confident | 189 Ų | 189 | 69.1 Ų | 69.1 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -68.9 | -27.1 | -176.6 | -60.6 | -179.4 | -171.6 | 144.6 | 9.7 | 111.9 | D59 E177 | R55-D59 HydrophobicContact CB-CB 4.44Å; R55-D59 PolarHBondContact N-OD2 3.19Å; R55-E177 IonicContact CZ-OE1 3.58Å; R55-E177 IonicContact CZ-OE2 3.75Å; R55-E177 IonicContact NH1-OE1 3.38Å; R55-E177 PolarHBondContact NH1-OE1 2.69Å; R55-E177 IonicContact NH1-OE2 2.84Å; R55-E177 PolarHBondContact NH1-OE2 3.05Å; R55-E177 IonicContact NH2-OE1 2.95Å; R55-E177 PolarHBondContact NH2-OE1 2.89Å; R55-E177 IonicContact NH2-OE2 3.85Å |
| 56 | S | 85.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -162.2 | 171.4 | 179.1 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | F54 V58 D59 Y60 | F54-S56 PolarHBondContact O-N 2.96Å; S56-V58 PolarHBondContact O-N 3.38Å; S56-V58 PolarHBondContact OG-N 2.87Å; S56-D59 PolarHBondContact O-N 2.95Å; S56-D59 PolarHBondContact OG-N 3.36Å; S56-D59 VanDerWaalsContact OG-N 3.09Å; S56-Y60 PolarHBondContact O-N 3.34Å |
| 57 | T | 85.2 | Confident | 89.6 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 66% | 0.663 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 170 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | Y60 Q61 | T57-Y60 WeakPolarHBondContact O-CB 3.38Å; T57-Y60 PolarHBondContact O-N 3.08Å; T57-Q61 WeakPolarHBondContact O-CG 3.29Å; T57-Q61 PolarHBondContact O-N 3.19Å |
| 58 | V | 84.1 | Confident | 89.9 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | S56 Y60 Q61 Y62 | S56-V58 PolarHBondContact O-N 3.38Å; S56-V58 PolarHBondContact OG-N 2.87Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.33Å; V58-Q61 PolarHBondContact O-N 2.89Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; V58-Y62 PolarHBondContact O-N 3.36Å |
| 59 | D | 86.6 | Confident | 90.3 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 173.2 | 179.1 | 41 | 0 | 0 | 0 | 111 | R55 S56 Q61 Y62 Q63 | R55-D59 HydrophobicContact CB-CB 4.44Å; R55-D59 PolarHBondContact N-OD2 3.19Å; S56-D59 PolarHBondContact O-N 2.95Å; S56-D59 PolarHBondContact OG-N 3.36Å; S56-D59 VanDerWaalsContact OG-N 3.09Å; D59-Q61 PolarHBondContact O-N 2.74Å; D59-Y62 PolarHBondContact O-N 3.12Å; D59-Q63 WeakPolarHBondContact O-CG 3.45Å; D59-Q63 PolarHBondContact O-N 3.49Å |
| 60 | Y | 91.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 173 | 177 | -100.8 | 0 | 0 | 0 | 113 | P50 F54 S56 T57 V58 Q63 L64 | P50-Y60 HydrophobicContact CG-CD2 4.21Å; P50-Y60 HydrophobicContact CG-CE2 3.89Å; F54-Y60 HydrophobicContact CD1-CD2 4.15Å; F54-Y60 AromaticContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CE2 4.36Å; F54-Y60 HydrophobicContact CD2-CG 4.4Å; F54-Y60 HydrophobicContact CE1-CD2 4.06Å; F54-Y60 AromaticContact CE2-CD2 3.47Å; F54-Y60 HydrophobicContact CE2-CD2 3.47Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.47Å; F54-Y60 AromaticContact CE2-CE2 3.89Å; F54-Y60 HydrophobicContact CE2-CE2 3.89Å; F54-Y60 AromaticContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CG 4.46Å; F54-Y60 AromaticContact CZ-CD2 3.74Å; F54-Y60 HydrophobicContact CZ-CD2 3.74Å; F54-Y60 HydrophobicContact CZ-CE2 4.14Å; S56-Y60 PolarHBondContact O-N 3.34Å; T57-Y60 WeakPolarHBondContact O-CB 3.38Å; T57-Y60 PolarHBondContact O-N 3.08Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.33Å; Y60-Q63 PolarHBondContact O-N 3.1Å; Y60-L64 HydrophobicContact CE1-CD2 4.3Å; Y60-L64 VanDerWaalsContact O-CB 3.32Å; Y60-L64 WeakPolarHBondContact O-CB 3.32Å; Y60-L64 PolarHBondContact O-N 3.15Å |
| 61 | Q | 92.6 | Very high | 91 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.4 | -67.8 | -54.8 | -26.5 | 0 | 0 | 111.7 | T57 V58 D59 L64 L65 L262 | T57-Q61 WeakPolarHBondContact O-CG 3.29Å; T57-Q61 PolarHBondContact O-N 3.19Å; V58-Q61 PolarHBondContact O-N 2.89Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; D59-Q61 PolarHBondContact O-N 2.74Å; Q61-L64 PolarHBondContact O-N 2.82Å; Q61-L65 WeakPolarHBondContact O-CB 3.34Å; Q61-L65 PolarHBondContact O-N 2.89Å; Q61-L262 HydrophobicContact CB-CD2 4.23Å |
| 62 | Y | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.3 | 179.5 | -106.3 | 0 | 0 | 0 | 111.9 | V58 D59 L64 L65 R66 P175 E178 F181 | V58-Y62 PolarHBondContact O-N 3.36Å; D59-Y62 PolarHBondContact O-N 3.12Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.39Å; Y62-L65 WeakPolarHBondContact O-CB 3.34Å; Y62-L65 PolarHBondContact O-N 3.33Å; Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 WeakPolarHBondContact O-CB 3.39Å; Y62-R66 PolarHBondContact O-N 2.98Å; Y62-P175 PolarHBondContact OH-O 2.8Å; Y62-E178 HydrophobicContact CD1-CB 3.74Å; Y62-E178 HydrophobicContact CD1-CG 4.46Å; Y62-E178 HydrophobicContact CD2-CB 4.1Å; Y62-E178 HydrophobicContact CD2-CG 3.95Å; Y62-E178 HydrophobicContact CE1-CB 4.25Å; Y62-E178 HydrophobicContact CG-CB 3.66Å; Y62-E178 HydrophobicContact CG-CG 3.89Å; Y62-F181 HydrophobicContact CD2-CD1 4.47Å; Y62-F181 HydrophobicContact CE2-CB 3.67Å; Y62-F181 AromaticContact CE2-CD1 3.83Å; Y62-F181 HydrophobicContact CE2-CD1 3.83Å; Y62-F181 HydrophobicContact CE2-CD2 4.27Å; Y62-F181 AromaticContact CE2-CG 3.65Å; Y62-F181 HydrophobicContact CE2-CG 3.65Å; Y62-F181 VanDerWaalsContact OH-CB 3.24Å; Y62-F181 WeakPolarHBondContact OH-CB 3.34Å |
| 63 | Q | 95.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 178.3 | -65.8 | -55.3 | -35.2 | 0 | 0 | 112.6 | P50 F54 D59 Y60 C67 E176 | P50-Q63 HydrophobicContact CB-CB 4.25Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.06Å; F54-Q63 HydrophobicContact CE1-CB 3.8Å; F54-Q63 HydrophobicContact CE1-CG 3.92Å; D59-Q63 WeakPolarHBondContact O-CG 3.45Å; D59-Q63 PolarHBondContact O-N 3.49Å; Y60-Q63 PolarHBondContact O-N 3.1Å; Q63-C67 WeakPolarHBondContact O-CB 3.5Å; Q63-C67 PolarHBondContact O-N 2.97Å; Q63-C67 VanDerWaalsContact O-N 3.08Å; Q63-C67 PolarHBondContact O-SG 2.99Å; Q63-E176 PolarHBondContact NE2-O 2.83Å |
| 64 | L | 95.3 | Very high | 93 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | 174.5 | 179.4 | 64.7 | 0 | 0 | 0 | 111.4 | V46 V48 R49 P50 Y60 Q61 Y62 C67 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.21Å; V48-L64 WeakPolarHBondContact O-CD1 3.43Å; R49-L64 HydrophobicContact CB-CD1 4.47Å; R49-L64 HydrophobicContact CG-CD1 4.16Å; P50-L64 HydrophobicContact CG-CB 4.37Å; Y60-L64 HydrophobicContact CE1-CD2 4.3Å; Y60-L64 VanDerWaalsContact O-CB 3.32Å; Y60-L64 WeakPolarHBondContact O-CB 3.32Å; Y60-L64 PolarHBondContact O-N 3.15Å; Q61-L64 PolarHBondContact O-N 2.82Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.39Å; L64-C67 PolarHBondContact O-SG 3.09Å; L64-N68 PolarHBondContact O-N 3.35Å; L64-N68 PolarHBondContact O-ND2 3.42Å; L64-Y160 PolarHBondContact O-OH 2.86Å |
| 65 | L | 96.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -53.3 | 173.1 | 177.7 | 167.2 | 0 | 0 | 0 | 110.7 | Q61 Y62 C67 N68 V69 G159 Y160 L174 L262 | Q61-L65 WeakPolarHBondContact O-CB 3.34Å; Q61-L65 PolarHBondContact O-N 2.89Å; Y62-L65 WeakPolarHBondContact O-CB 3.34Å; Y62-L65 PolarHBondContact O-N 3.33Å; L65-C67 PolarHBondContact O-N 2.9Å; L65-N68 PolarHBondContact O-N 2.6Å; L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.18Å; L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.28Å; L65-V69 PolarHBondContact O-N 3.43Å; L65-G159 WeakPolarHBondContact CD1-O 2.8Å; L65-Y160 HydrophobicContact CB-CD2 4.46Å; L65-Y160 HydrophobicContact CB-CE1 4.43Å; L65-Y160 HydrophobicContact CB-CE2 4.03Å; L65-Y160 HydrophobicContact CD1-CD2 4.25Å; L65-Y160 HydrophobicContact CG-CD1 4.31Å; L65-Y160 HydrophobicContact CG-CD2 4.15Å; L65-Y160 HydrophobicContact CG-CE1 4.39Å; L65-Y160 HydrophobicContact CG-CE2 4.21Å; L65-Y160 HydrophobicContact CG-CG 4.19Å; L65-L174 HydrophobicContact CD2-CD1 3.66Å; L65-L262 HydrophobicContact CD1-CD1 3.71Å |
| 66 | R | 97.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 20% | 0.204 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.2 | -51.9 | -176.1 | -172.4 | -179.9 | 73.7 | 107.1 | -9.7 | 112 | Y62 N68 V69 D70 L174 P175 | Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 WeakPolarHBondContact O-CB 3.39Å; Y62-R66 PolarHBondContact O-N 2.98Å; R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 3.36Å; R66-V69 PolarHBondContact O-N 3.46Å; R66-D70 WeakPolarHBondContact O-CB 3.2Å; R66-D70 PolarHBondContact O-N 3.04Å; R66-L174 HydrophobicContact CG-CB 3.89Å; R66-P175 WeakPolarHBondContact CD-O 3.4Å |
| 67 | C | 96.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 22% | 0.216 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -33 | -174.9 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | V48 Q63 L64 L65 L71 | V48-C67 HydrophobicContact CG2-CB 4.23Å; Q63-C67 WeakPolarHBondContact O-CB 3.5Å; Q63-C67 PolarHBondContact O-N 2.97Å; Q63-C67 VanDerWaalsContact O-N 3.08Å; Q63-C67 PolarHBondContact O-SG 2.99Å; L64-C67 PolarHBondContact O-SG 3.09Å; L65-C67 PolarHBondContact O-N 2.9Å; C67-L71 VanDerWaalsContact O-CB 3.26Å; C67-L71 WeakPolarHBondContact O-CB 3.27Å; C67-L71 PolarHBondContact O-N 2.83Å |
| 68 | N | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -79.7 | -43.7 | 177.9 | -74.2 | -83.1 | 0 | 0 | 0 | 111.8 | V46 V47 V48 L64 L65 R66 D70 L71 L72 Y160 | V46-N68 WeakPolarHBondContact CA-OD1 3.44Å; V46-N68 WeakPolarHBondContact CG1-ND2 3.45Å; V47-N68 PolarHBondContact N-OD1 2.95Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.33Å; V48-N68 PolarHBondContact N-OD1 3.37Å; V48-N68 PolarHBondContact O-ND2 2.88Å; L64-N68 PolarHBondContact O-N 3.35Å; L64-N68 PolarHBondContact O-ND2 3.42Å; L65-N68 PolarHBondContact O-N 2.6Å; R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 3.36Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 2.85Å; N68-L71 PolarHBondContact O-N 3.1Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.27Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.47Å; N68-L72 PolarHBondContact O-N 2.78Å; N68-Y160 HydrophobicContact CB-CE1 4.05Å |
| 69 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | L65 R66 L71 Y160 Y164 K167 L174 | L65-V69 HydrophobicContact CD2-CB 4.39Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.18Å; L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.28Å; L65-V69 PolarHBondContact O-N 3.43Å; R66-V69 PolarHBondContact O-N 3.46Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.49Å; V69-Y160 HydrophobicContact CG2-CD1 3.75Å; V69-Y160 HydrophobicContact CG2-CE1 4.26Å; V69-Y164 HydrophobicContact CG1-CD1 4.07Å; V69-Y164 HydrophobicContact CG1-CE1 4.28Å; V69-Y164 HydrophobicContact CG1-CG 4.28Å; V69-Y164 HydrophobicContact CG2-CD2 4.22Å; V69-Y164 HydrophobicContact CG2-CE2 4Å; V69-K167 HydrophobicContact CG1-CB 4.15Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 VanDerWaalsContact O-CD 3.27Å; V69-K167 WeakPolarHBondContact O-CD 3.48Å; V69-K167 PolarHBondContact O-NZ 3.27Å; V69-L174 HydrophobicContact CB-CD1 3.87Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; V69-L174 HydrophobicContact CG2-CD1 4.48Å |
| 70 | D | 97.7 | Very high | 97 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 17% | 0.166 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 176.6 | -79.1 | -12.1 | 0 | 0 | 0 | 112.2 | R66 N68 K167 R173 L174 | R66-D70 WeakPolarHBondContact O-CB 3.2Å; R66-D70 PolarHBondContact O-N 3.04Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 2.85Å; D70-K167 PolarHBondContact O-NZ 3.4Å; D70-R173 HydrophobicContact CB-CG 4.46Å; D70-R173 VanDerWaalsContact OD1-CA 3.3Å; D70-R173 WeakPolarHBondContact OD1-CA 3.29Å; D70-L174 PolarHBondContact OD1-N 3.13Å |
| 71 | L | 96.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 18.9 Ų | 18.9 | 35% | 0.351 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -82.4 | -35.6 | -173.3 | -169.4 | 68.7 | 0 | 0 | 0 | 113.4 | V47 V48 C67 N68 V69 M107 | V47-L71 HydrophobicContact CG2-CD2 3.66Å; V48-L71 HydrophobicContact CG1-CD2 3.94Å; V48-L71 HydrophobicContact CG2-CD2 4.04Å; C67-L71 VanDerWaalsContact O-CB 3.26Å; C67-L71 WeakPolarHBondContact O-CB 3.27Å; C67-L71 PolarHBondContact O-N 2.83Å; N68-L71 PolarHBondContact O-N 3.1Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.49Å; L71-M107 HydrophobicContact CD1-CE 3.25Å; L71-M107 HydrophobicContact CD1-SD 3.79Å; L71-M107 HydrophobicContact CD2-CE 4.31Å; L71-M107 HydrophobicContact CD2-SD 3.96Å; L71-M107 HydrophobicContact CG-CE 3.48Å; L71-M107 VanDerWaalsContact CG-CE 3.48Å; L71-M107 HydrophobicContact CG-SD 3.81Å |
| 72 | L | 97.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -99.9 | 162.7 | -171 | -59.3 | 175.4 | 0 | 0 | 0 | 111.7 | P44 G45 V47 N68 M107 Y164 K167 | P44-L72 HydrophobicContact CG-CB 3.99Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.09Å; P44-L72 HydrophobicContact CG-CG 4.33Å; G45-L72 WeakPolarHBondContact O-CD1 3.46Å; V47-L72 HydrophobicContact CG1-CD1 4.48Å; V47-L72 HydrophobicContact CG1-CD2 4.18Å; V47-L72 HydrophobicContact CG2-CD1 4.17Å; V47-L72 HydrophobicContact CG2-CD2 3.78Å; V47-L72 HydrophobicContact CG2-CG 4.19Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.27Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.47Å; N68-L72 PolarHBondContact O-N 2.78Å; L72-M107 HydrophobicContact CD2-CB 3.82Å; L72-M107 VanDerWaalsContact CD2-O 3.26Å; L72-M107 WeakPolarHBondContact CD2-O 3.45Å; L72-Y164 WeakPolarHBondContact CB-OH 3.39Å; L72-K167 PolarHBondContact O-NZ 2.99Å |
| 73 | K | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 17.1 Ų | 17.1 | 43% | 0.43 | 8% | 0.084 | S | C | . | . | trans | -108 | 141.2 | 175.7 | -66.5 | -176.1 | -177.1 | 169.1 | 0 | 110.3 | P44 F101 D106 | P44-K73 WeakPolarHBondContact CD-O 3.31Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.97Å; K73-D106 WeakPolarHBondContact CD-OD1 3.34Å; K73-D106 WeakPolarHBondContact CE-OD1 3.46Å; K73-D106 IonicContact NZ-OD1 3.79Å; K73-D106 PolarHBondContact NZ-OD1 2.86Å; K73-D106 IonicContact NZ-OD2 3.87Å | ||
| 74 | I | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | trans | -65.6 | 145.5 | 169.5 | -172.5 | 170.2 | 0 | 0 | 0 | 110.4 | T41 L77 F99 T133 Y164 | T41-I74 HydrophobicContact CG2-CD1 3.82Å; I74-L77 HydrophobicContact CD1-CB 4.35Å; I74-F99 HydrophobicContact CB-CD2 4.47Å; I74-F99 HydrophobicContact CD1-CD2 4.23Å; I74-F99 HydrophobicContact CD1-CE2 3.87Å; I74-F99 HydrophobicContact CG1-CD2 4Å; I74-F99 HydrophobicContact CG1-CE2 4.16Å; I74-F99 HydrophobicContact CG2-CD2 3.82Å; I74-F99 HydrophobicContact CG2-CE2 4.21Å; I74-F99 HydrophobicContact CG2-CG 4.15Å; I74-T133 HydrophobicContact CG2-CG2 3.9Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.3Å; I74-Y164 HydrophobicContact CB-CG 4.21Å | ||
| 75 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -110.8 | -45.2 | -179.3 | -57.1 | 165.4 | 0 | 0 | 0 | 110.7 | E42 P44 F99 F101 I113 L116 L121 F123 H126 | E42-I75 WeakPolarHBondContact O-CA 3.27Å; E42-I75 WeakPolarHBondContact O-CB 3.5Å; E42-I75 PolarHBondContact O-N 2.9Å; P44-I75 HydrophobicContact CB-CD1 4.14Å; P44-I75 HydrophobicContact CG-CD1 4.5Å; I75-F99 PolarHBondContact O-N 3.38Å; I75-F101 HydrophobicContact CD1-CD2 4.39Å; I75-F101 HydrophobicContact CD1-CE1 4.48Å; I75-F101 HydrophobicContact CD1-CE2 4.25Å; I75-F101 HydrophobicContact CD1-CZ 4.3Å; I75-F101 HydrophobicContact CG1-CB 4.48Å; I75-F101 HydrophobicContact CG1-CD1 4.44Å; I75-F101 HydrophobicContact CG1-CD2 3.63Å; I75-F101 HydrophobicContact CG1-CE2 3.88Å; I75-F101 HydrophobicContact CG1-CG 3.94Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; I75-I113 HydrophobicContact CD1-CD1 4.5Å; I75-L116 HydrophobicContact CD1-CD1 3.68Å; I75-L121 HydrophobicContact CG2-CD2 3.64Å; I75-F123 HydrophobicContact CD1-CE1 4Å; I75-F123 HydrophobicContact CD1-CZ 4.36Å; I75-F123 HydrophobicContact CG2-CE1 4.37Å; I75-H126 PolarHBondContact O-CE1 2.96Å; I75-H126 VanDerWaalsContact O-CE1 3.32Å | ||
| 76 | Q | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.6 | 174.4 | -64.6 | -175.3 | -40 | 0 | 0 | 112.7 | T41 E42 F97 N98 L121 A227 | T41-Q76 CarbonylContact C-O 3.55Å; T41-Q76 VanDerWaalsContact CA-O 3.26Å; T41-Q76 WeakPolarHBondContact CA-O 3.49Å; T41-Q76 WeakPolarHBondContact CB-O 3.21Å; E42-Q76 HydrophobicContact CB-CB 4.05Å; E42-Q76 HydrophobicContact CG-CB 4.35Å; E42-Q76 PolarHBondContact N-O 2.9Å; E42-Q76 PolarHBondContact O-N 3.04Å; Q76-F97 WeakPolarHBondContact CA-O 3.25Å; Q76-N98 PolarHBondContact NE2-OD1 3.21Å; Q76-L121 HydrophobicContact CG-CD2 4.25Å; Q76-A227 HydrophobicContact CB-CB 3.66Å |
| 77 | L | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.7 | 165.3 | 170.2 | 69.9 | 0 | 0 | 0 | 108.4 | M39 T41 I74 L79 F97 F99 F136 L165 | M39-L77 HydrophobicContact CG-CD1 3.45Å; M39-L77 VanDerWaalsContact CG-CD1 3.45Å; M39-L77 HydrophobicContact SD-CD1 3.89Å; T41-L77 HydrophobicContact CG2-CD1 3.66Å; I74-L77 HydrophobicContact CD1-CB 4.35Å; L77-L79 HydrophobicContact CD1-CD2 3.95Å; L77-L79 HydrophobicContact CD2-CD1 4.31Å; L77-L79 HydrophobicContact CD2-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD2 4.08Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CD2-CD2 4.33Å; L77-F97 HydrophobicContact CG-CD2 4.38Å; L77-F97 PolarHBondContact N-O 3.49Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 3.18Å; L77-F99 HydrophobicContact CB-CE2 3.59Å; L77-F99 HydrophobicContact CB-CZ 4.06Å; L77-F99 HydrophobicContact CD2-CZ 4.48Å; L77-F136 HydrophobicContact CD2-CE1 3.68Å; L77-F136 HydrophobicContact CD2-CZ 3.64Å; L77-L165 HydrophobicContact CD1-CD2 4.11Å; L77-L165 HydrophobicContact CD2-CD2 3.96Å |
| 78 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M39 D40 W95 A227 S231 | M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.38Å; D40-G78 PolarHBondContact N-O 3.31Å; D40-G78 PolarHBondContact O-N 2.64Å; G78-W95 CarbonylContact C-O 3.54Å; G78-W95 WeakPolarHBondContact CA-O 3.44Å; G78-A227 WeakPolarHBondContact CA-O 3.21Å; G78-S231 VanDerWaalsContact O-CB 3.32Å; G78-S231 WeakPolarHBondContact O-CB 3.37Å |
| 79 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.1 | 173.9 | -59.3 | -177.3 | 0 | 0 | 0 | 109.4 | I37 A38 M39 L77 F81 T94 W95 F97 L145 W153 | I37-L79 HydrophobicContact CG2-CB 4.25Å; I37-L79 HydrophobicContact CG2-CD2 3.93Å; A38-L79 WeakPolarHBondContact O-CA 3.27Å; M39-L79 HydrophobicContact CB-CD2 3.87Å; M39-L79 HydrophobicContact CG-CD2 3.64Å; L77-L79 HydrophobicContact CD1-CD2 3.95Å; L77-L79 HydrophobicContact CD2-CD1 4.31Å; L77-L79 HydrophobicContact CD2-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD2 4.08Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L79-F81 HydrophobicContact CB-CE2 3.83Å; L79-F81 HydrophobicContact CB-CZ 4.2Å; L79-T94 CarbonylContact O-C 3.55Å; L79-T94 VanDerWaalsContact O-CA 3.27Å; L79-T94 WeakPolarHBondContact O-CA 3.25Å; L79-W95 PolarHBondContact N-O 2.88Å; L79-W95 PolarHBondContact O-N 3.26Å; L79-F97 HydrophobicContact CB-CE2 4.39Å; L79-F97 HydrophobicContact CD1-CE2 3.79Å; L79-F97 HydrophobicContact CG-CD2 4.48Å; L79-F97 HydrophobicContact CG-CE2 4.04Å; L79-L145 HydrophobicContact CD1-CD1 4.46Å; L79-W153 HydrophobicContact CD2-CH2 4.04Å; L79-W153 HydrophobicContact CD2-CZ3 3.75Å |
| 80 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.6 | 176.7 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | I37 A38 T93 T94 S231 L232 | I37-S80 CarbonylContact C-O 3.05Å; I37-S80 WeakPolarHBondContact CA-O 3.49Å; A38-S80 PolarHBondContact N-O 3.12Å; A38-S80 PolarHBondContact O-N 3.43Å; S80-T93 WeakPolarHBondContact CA-O 3.43Å; S80-T94 WeakPolarHBondContact OG-CB 3.32Å; S80-T94 WeakPolarHBondContact OG-CG2 3.36Å; S80-T94 PolarHBondContact OG-OG1 3.43Å; S80-S231 PolarHBondContact OG-OG 2.9Å; S80-L232 VanDerWaalsContact OG-CA 3.22Å; S80-L232 WeakPolarHBondContact OG-CA 3.21Å; S80-L232 WeakPolarHBondContact OG-CB 3.09Å; S80-L232 PolarHBondContact OG-N 2.78Å; S80-L232 VanDerWaalsContact OG-N 3.13Å |
| 81 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.7 | -171.5 | -67 | -95.4 | 0 | 0 | 0 | 111.3 | I27 I30 I31 I37 L79 P89 T93 W95 L145 | I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.26Å; I27-F81 HydrophobicContact CG1-CZ 4.27Å; I27-F81 HydrophobicContact CG2-CE1 3.94Å; I27-F81 HydrophobicContact CG2-CE2 4.28Å; I27-F81 HydrophobicContact CG2-CZ 3.48Å; I27-F81 VanDerWaalsContact CG2-CZ 3.48Å; I30-F81 HydrophobicContact CG2-CB 3.81Å; I30-F81 HydrophobicContact CG2-CD1 3.96Å; I30-F81 HydrophobicContact CG2-CG 3.89Å; I31-F81 HydrophobicContact CD1-CD1 4.46Å; I31-F81 HydrophobicContact CD1-CE1 4.22Å; I37-F81 HydrophobicContact CD1-CE1 4.29Å; I37-F81 HydrophobicContact CG1-CD1 4.18Å; I37-F81 HydrophobicContact CG1-CE1 3.98Å; L79-F81 HydrophobicContact CB-CE2 3.83Å; L79-F81 HydrophobicContact CB-CZ 4.2Å; F81-P89 HydrophobicContact CB-CG 4.32Å; F81-P89 WeakPolarHBondContact O-CD 3.4Å; F81-T93 PolarHBondContact N-O 3.32Å; F81-W95 AromaticContact CD2-CE3 3.5Å; F81-W95 HydrophobicContact CD2-CE3 3.5Å; F81-W95 VanDerWaalsContact CD2-CE3 3.5Å; F81-W95 AromaticContact CD2-CZ3 3.44Å; F81-W95 HydrophobicContact CD2-CZ3 3.44Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.44Å; F81-W95 HydrophobicContact CE2-CD2 4.45Å; F81-W95 AromaticContact CE2-CE3 3.5Å; F81-W95 HydrophobicContact CE2-CE3 3.5Å; F81-W95 VanDerWaalsContact CE2-CE3 3.5Å; F81-W95 AromaticContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CG-CZ3 4.33Å; F81-L145 HydrophobicContact CE1-CD2 3.42Å; F81-L145 VanDerWaalsContact CE1-CD2 3.42Å; F81-L145 HydrophobicContact CZ-CD2 3.64Å |
| 82 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 161.1 | 176.6 | -64.5 | 148.3 | -66.5 | 0 | 0 | 110.2 | Y34 N35 F36 A38 D87 Y88 L154 F239 | Y34-M82 CarbonylContact C-O 3.58Å; Y34-M82 WeakPolarHBondContact CA-O 3.49Å; Y34-M82 WeakPolarHBondContact CB-O 3.38Å; N35-M82 PolarHBondContact N-O 3.19Å; F36-M82 HydrophobicContact CB-CB 4.17Å; F36-M82 WeakPolarHBondContact CB-O 3.37Å; F36-M82 PolarHBondContact N-O 2.88Å; F36-M82 PolarHBondContact O-N 2.8Å; A38-M82 HydrophobicContact CB-CE 3.6Å; M82-D87 CarbonylContact C-O 3.6Å; M82-D87 VanDerWaalsContact CA-O 3.25Å; M82-D87 WeakPolarHBondContact CA-O 3.31Å; M82-Y88 HydrophobicContact CG-CD1 3.68Å; M82-Y88 HydrophobicContact CG-CE1 3.49Å; M82-Y88 VanDerWaalsContact CG-CE1 3.49Å; M82-Y88 HydrophobicContact SD-CE1 3.94Å; M82-L154 HydrophobicContact CE-CD1 3.89Å; M82-F239 HydrophobicContact CB-CE2 3.81Å; M82-F239 HydrophobicContact CB-CZ 4.32Å; M82-F239 HydrophobicContact CE-CE2 4.19Å; M82-F239 HydrophobicContact CG-CE2 4.17Å; M82-F239 HydrophobicContact SD-CD2 3.7Å; M82-F239 HydrophobicContact SD-CE2 3.54Å; M82-F239 VanDerWaalsContact SD-CE2 3.54Å |
| 83 | N | 98 | Very high | 97.2 | Very high | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 21% | 0.212 | C | C | . | . | trans | -94.3 | -172.6 | 169 | 72.3 | 2.6 | 0 | 0 | 0 | 110.7 | Y34 D85 G86 D87 F239 | Y34-N83 HydrophobicContact CD1-CB 3.89Å; Y34-N83 HydrophobicContact CE1-CB 4.21Å; N83-D85 PolarHBondContact O-N 3.36Å; N83-D85 PolarHBondContact OD1-N 2.81Å; N83-G86 PolarHBondContact O-N 2.84Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-G86 PolarHBondContact OD1-N 3.41Å; N83-G86 VanDerWaalsContact OD1-N 3.1Å; N83-D87 PolarHBondContact N-O 2.81Å; N83-D87 WeakPolarHBondContact OD1-CB 3.48Å; N83-D87 PolarHBondContact OD1-N 3.43Å; N83-F239 VanDerWaalsContact O-CZ 3.22Å; N83-F239 WeakPolarHBondContact O-CZ 3.26Å | ||
| 84 | E | 96.4 | Very high | 97.2 | Very high | 121 Ų | 121 | 33.3 Ų | 33.3 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.9 | -178.9 | -175.5 | 164.2 | -153.8 | 0 | 0 | 114.6 | F36 F239 | F36-E84 HydrophobicContact CE2-CB 3.99Å; F36-E84 HydrophobicContact CE2-CG 4.29Å; E84-F239 WeakPolarHBondContact O-CE1 3.44Å |
| 85 | D | 95.9 | Very high | 97.3 | Very high | 131 Ų | 131 | 33 Ų | 33 | 70% | 0.701 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.8 | 178.3 | -59.8 | -50.8 | 0 | 0 | 0 | 112.5 | N83 | N83-D85 PolarHBondContact O-N 3.36Å; N83-D85 PolarHBondContact OD1-N 2.81Å |
| 86 | G | 96.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 83.3 | 10.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N83 | N83-G86 PolarHBondContact O-N 2.84Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-G86 PolarHBondContact OD1-N 3.41Å; N83-G86 VanDerWaalsContact OD1-N 3.1Å |
| 87 | D | 97.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 33 Ų | 33 | 51% | 0.508 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -76 | 148.1 | 173.7 | -66.2 | -41.5 | 0 | 0 | 0 | 111.3 | Y34 M82 N83 | Y34-D87 WeakPolarHBondContact CD1-O 3.35Å; Y34-D87 WeakPolarHBondContact CE1-O 3.4Å; M82-D87 CarbonylContact C-O 3.6Å; M82-D87 VanDerWaalsContact CA-O 3.25Å; M82-D87 WeakPolarHBondContact CA-O 3.31Å; N83-D87 PolarHBondContact N-O 2.81Å; N83-D87 WeakPolarHBondContact OD1-CB 3.48Å; N83-D87 PolarHBondContact OD1-N 3.43Å |
| 88 | Y | 97.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 33 Ų | 33 | 30% | 0.302 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -95.4 | 155.8 | -179.9 | -57.8 | -78.3 | 0 | 0 | 0 | 112.7 | Y34 M82 T93 L232 M236 | Y34-Y88 WeakPolarHBondContact CE1-O 3.41Å; Y34-Y88 PolarHBondContact OH-O 3.49Å; M82-Y88 HydrophobicContact CG-CD1 3.68Å; M82-Y88 HydrophobicContact CG-CE1 3.49Å; M82-Y88 VanDerWaalsContact CG-CE1 3.49Å; M82-Y88 HydrophobicContact SD-CE1 3.94Å; Y88-T93 HydrophobicContact CD1-CG2 4.18Å; Y88-T93 HydrophobicContact CG-CG2 4Å; Y88-L232 HydrophobicContact CD1-CD1 4.37Å; Y88-L232 HydrophobicContact CE1-CD1 3.54Å; Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.47Å |
| 89 | P | 95.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.045 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 152.1 | 168.7 | 28.5 | -35.4 | 0 | 0 | 0 | 111.5 | I30 Y34 F81 G91 T92 | I30-P89 HydrophobicContact CD1-CB 4.28Å; I30-P89 HydrophobicContact CD1-CG 4.39Å; I30-P89 HydrophobicContact CG1-CB 4.43Å; I30-P89 HydrophobicContact CG2-CB 4.2Å; I30-P89 HydrophobicContact CG2-CG 4.11Å; Y34-P89 HydrophobicContact CD1-CB 4.38Å; Y34-P89 HydrophobicContact CD2-CB 3.88Å; Y34-P89 HydrophobicContact CE1-CB 4.25Å; Y34-P89 VanDerWaalsContact CE1-N 3.25Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.22Å; Y34-P89 HydrophobicContact CG-CG 4.47Å; F81-P89 HydrophobicContact CB-CG 4.32Å; F81-P89 WeakPolarHBondContact O-CD 3.4Å; P89-G91 PolarHBondContact O-N 3.02Å; P89-T92 WeakPolarHBondContact CG-O 3.39Å |
| 90 | P | 91.6 | Very high | 97.3 | Very high | 120 Ų | 120 | 38.8 Ų | 38.8 | 78% | 0.779 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -66.2 | 131.9 | 176.7 | 27.6 | -33.9 | 0 | 0 | 0 | 111 | ||
| 91 | G | 93 | Very high | 97.3 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 47% | 0.474 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 88.1 | -118.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P89 T93 | P89-G91 PolarHBondContact O-N 3.02Å; G91-T93 PolarHBondContact O-N 3.47Å |
| 92 | T | 96.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | trans | -73.1 | 124.9 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | Q10 C13 P89 T94 W95 | Q10-T92 WeakPolarHBondContact O-CA 3.15Å; Q10-T92 PolarHBondContact O-OG1 2.84Å; C13-T92 HydrophobicContact CB-CG2 3.48Å; C13-T92 VanDerWaalsContact CB-CG2 3.48Å; P89-T92 WeakPolarHBondContact CG-O 3.39Å; T92-T94 WeakPolarHBondContact CG2-O 3.37Å; T92-W95 HydrophobicContact CG2-CD2 4.01Å; T92-W95 HydrophobicContact CG2-CE3 4.23Å; T92-W95 HydrophobicContact CG2-CH2 3.69Å; T92-W95 HydrophobicContact CG2-CZ2 3.49Å; T92-W95 VanDerWaalsContact CG2-CZ2 3.49Å; T92-W95 HydrophobicContact CG2-CZ3 4.08Å; T92-W95 WeakPolarHBondContact O-CH2 3.4Å | ||
| 93 | T | 97.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | trans | -106.1 | -24.4 | 180 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | I11 S80 F81 Y88 G91 | I11-T93 HydrophobicContact CG2-CG2 4.45Å; I11-T93 VanDerWaalsContact CG2-OG1 3.29Å; I11-T93 WeakPolarHBondContact CG2-OG1 3.5Å; I11-T93 PolarHBondContact O-N 2.85Å; I11-T93 PolarHBondContact O-OG1 3.17Å; S80-T93 WeakPolarHBondContact CA-O 3.43Å; F81-T93 PolarHBondContact N-O 3.32Å; Y88-T93 HydrophobicContact CD1-CG2 4.18Å; Y88-T93 HydrophobicContact CG-CG2 4Å; G91-T93 PolarHBondContact O-N 3.47Å | ||
| 94 | T | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.3 | -167.3 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | I11 I12 C13 L79 S80 T92 G228 | I11-T94 PolarHBondContact O-N 3.12Å; I11-T94 VanDerWaalsContact O-N 3.1Å; I12-T94 CarbonylContact C-O 3.57Å; I12-T94 WeakPolarHBondContact CA-O 3.45Å; I12-T94 HydrophobicContact CG1-CG2 4.09Å; I12-T94 HydrophobicContact CG2-CG2 4.2Å; C13-T94 PolarHBondContact N-O 3.02Å; L79-T94 CarbonylContact O-C 3.55Å; L79-T94 VanDerWaalsContact O-CA 3.27Å; L79-T94 WeakPolarHBondContact O-CA 3.25Å; S80-T94 WeakPolarHBondContact OG-CB 3.32Å; S80-T94 WeakPolarHBondContact OG-CG2 3.36Å; S80-T94 PolarHBondContact OG-OG1 3.43Å; T92-T94 WeakPolarHBondContact CG2-O 3.37Å; T94-G228 VanDerWaalsContact CG2-O 3.31Å; T94-G228 WeakPolarHBondContact CG2-O 3.31Å |
| 95 | W | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.2 | 174.2 | -74.1 | -97.2 | 0 | 0 | 0 | 109.5 | C13 V15 E23 I27 I30 G78 L79 F81 T92 F97 | C13-W95 HydrophobicContact CB-CG 4.5Å; V15-W95 HydrophobicContact CG2-CB 4.05Å; V15-W95 HydrophobicContact CG2-CG 4.24Å; E23-W95 PolarHBondContact OE2-NE1 3.09Å; I27-W95 HydrophobicContact CD1-CB 4.24Å; I27-W95 HydrophobicContact CD1-CD2 3.84Å; I27-W95 HydrophobicContact CD1-CE3 4.41Å; I27-W95 HydrophobicContact CD1-CG 3.74Å; I27-W95 HydrophobicContact CG1-CD2 3.81Å; I27-W95 HydrophobicContact CG1-CE3 4.13Å; I27-W95 HydrophobicContact CG1-CG 4.24Å; I27-W95 HydrophobicContact CG1-CZ2 4.23Å; I30-W95 HydrophobicContact CD1-CH2 3.22Å; I30-W95 HydrophobicContact CD1-CZ2 3.9Å; I30-W95 HydrophobicContact CD1-CZ3 4.05Å; G78-W95 CarbonylContact C-O 3.54Å; G78-W95 WeakPolarHBondContact CA-O 3.44Å; L79-W95 PolarHBondContact N-O 2.88Å; L79-W95 PolarHBondContact O-N 3.26Å; F81-W95 AromaticContact CD2-CE3 3.5Å; F81-W95 HydrophobicContact CD2-CE3 3.5Å; F81-W95 VanDerWaalsContact CD2-CE3 3.5Å; F81-W95 AromaticContact CD2-CZ3 3.44Å; F81-W95 HydrophobicContact CD2-CZ3 3.44Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.44Å; F81-W95 HydrophobicContact CE2-CD2 4.45Å; F81-W95 AromaticContact CE2-CE3 3.5Å; F81-W95 HydrophobicContact CE2-CE3 3.5Å; F81-W95 VanDerWaalsContact CE2-CE3 3.5Å; F81-W95 AromaticContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CE2-CZ3 3.86Å; F81-W95 HydrophobicContact CG-CZ3 4.33Å; T92-W95 HydrophobicContact CG2-CD2 4.01Å; T92-W95 HydrophobicContact CG2-CE3 4.23Å; T92-W95 HydrophobicContact CG2-CH2 3.69Å; T92-W95 HydrophobicContact CG2-CZ2 3.49Å; T92-W95 VanDerWaalsContact CG2-CZ2 3.49Å; T92-W95 HydrophobicContact CG2-CZ3 4.08Å; T92-W95 WeakPolarHBondContact O-CH2 3.4Å; W95-F97 HydrophobicContact CB-CD2 4.35Å; W95-F97 HydrophobicContact CB-CE2 3.64Å; W95-F97 HydrophobicContact CB-CZ 3.89Å |
| 96 | Q | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 101.4 | 174 | 179.9 | 161.5 | -75.5 | 0 | 0 | 108.7 | I12 C13 E14 V15 N98 | I12-Q96 HydrophobicContact CG2-CB 4.09Å; C13-Q96 PolarHBondContact O-N 3.05Å; E14-Q96 PolarHBondContact OE1-NE2 3.25Å; E14-Q96 PolarHBondContact OE2-NE2 3.24Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.12Å; V15-Q96 PolarHBondContact N-O 3.02Å; Q96-N98 PolarHBondContact O-ND2 2.9Å |
| 97 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.4 | 176.4 | -60.4 | -87.1 | 0 | 0 | 0 | 109.9 | V15 V20 M24 I27 Q76 L77 L79 W95 F99 I131 F136 | V15-F97 HydrophobicContact CB-CD1 3.71Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.33Å; V15-F97 HydrophobicContact CG1-CD1 3.76Å; V15-F97 HydrophobicContact CG1-CE1 3.87Å; V15-F97 HydrophobicContact CG2-CD1 4.01Å; V15-F97 HydrophobicContact CG2-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CZ 4.45Å; V20-F97 HydrophobicContact CG2-CE1 4.45Å; M24-F97 HydrophobicContact SD-CE1 3.99Å; M24-F97 HydrophobicContact SD-CZ 3.97Å; I27-F97 HydrophobicContact CD1-CE1 4.5Å; I27-F97 HydrophobicContact CD1-CE2 4.38Å; I27-F97 HydrophobicContact CD1-CZ 3.59Å; Q76-F97 WeakPolarHBondContact CA-O 3.25Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CD2-CD2 4.33Å; L77-F97 HydrophobicContact CG-CD2 4.38Å; L77-F97 PolarHBondContact N-O 3.49Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 3.18Å; L79-F97 HydrophobicContact CB-CE2 4.39Å; L79-F97 HydrophobicContact CD1-CE2 3.79Å; L79-F97 HydrophobicContact CG-CD2 4.48Å; L79-F97 HydrophobicContact CG-CE2 4.04Å; W95-F97 HydrophobicContact CB-CD2 4.35Å; W95-F97 HydrophobicContact CB-CE2 3.64Å; W95-F97 HydrophobicContact CB-CZ 3.89Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 HydrophobicContact CB-CZ 3.99Å; F97-I131 HydrophobicContact CB-CD1 4.04Å; F97-I131 HydrophobicContact CD1-CD1 3.88Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; F97-F136 AromaticContact CD1-CD2 3.99Å; F97-F136 HydrophobicContact CD1-CD2 3.99Å; F97-F136 AromaticContact CD1-CE2 3.48Å; F97-F136 HydrophobicContact CD1-CE2 3.48Å; F97-F136 VanDerWaalsContact CD1-CE2 3.48Å; F97-F136 HydrophobicContact CD1-CZ 4.33Å; F97-F136 HydrophobicContact CD2-CE2 4.24Å; F97-F136 HydrophobicContact CD2-CZ 4.34Å; F97-F136 HydrophobicContact CE1-CD2 4.21Å; F97-F136 AromaticContact CE1-CE2 3.49Å; F97-F136 HydrophobicContact CE1-CE2 3.49Å; F97-F136 VanDerWaalsContact CE1-CE2 3.49Å; F97-F136 HydrophobicContact CE1-CZ 4.41Å; F97-F136 HydrophobicContact CE2-CE2 4.26Å; F97-F136 HydrophobicContact CE2-CZ 4.42Å; F97-F136 AromaticContact CG-CE2 3.87Å; F97-F136 HydrophobicContact CG-CE2 3.87Å; F97-F136 HydrophobicContact CG-CZ 4.29Å; F97-F136 AromaticContact CZ-CE2 3.88Å; F97-F136 HydrophobicContact CZ-CE2 3.88Å; F97-F136 HydrophobicContact CZ-CZ 4.44Å |
| 98 | N | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.5 | -179.9 | -62.4 | -76.4 | 0 | 0 | 0 | 109.5 | E14 V15 W16 Q76 Q96 G130 I131 | E14-N98 PolarHBondContact OE2-ND2 2.91Å; V15-N98 WeakPolarHBondContact O-CB 3.35Å; V15-N98 PolarHBondContact O-N 2.8Å; V15-N98 PolarHBondContact O-ND2 3.41Å; V15-N98 VanDerWaalsContact O-ND2 3.11Å; W16-N98 HydrophobicContact CD2-CB 3.84Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CB 3.45Å; W16-N98 HydrophobicContact CZ2-CB 3.75Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; Q76-N98 PolarHBondContact NE2-OD1 3.21Å; Q96-N98 PolarHBondContact O-ND2 2.9Å; N98-G130 WeakPolarHBondContact O-CA 3.11Å; N98-I131 WeakPolarHBondContact O-CG1 3.42Å; N98-I131 PolarHBondContact O-N 3.16Å |
| 99 | F | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 157.8 | -175.4 | -63.4 | -70.9 | 0 | 0 | 0 | 112.8 | I74 I75 L77 F97 F101 H126 I131 T133 F136 L168 | I74-F99 HydrophobicContact CB-CD2 4.47Å; I74-F99 HydrophobicContact CD1-CD2 4.23Å; I74-F99 HydrophobicContact CD1-CE2 3.87Å; I74-F99 HydrophobicContact CG1-CD2 4Å; I74-F99 HydrophobicContact CG1-CE2 4.16Å; I74-F99 HydrophobicContact CG2-CD2 3.82Å; I74-F99 HydrophobicContact CG2-CE2 4.21Å; I74-F99 HydrophobicContact CG2-CG 4.15Å; I75-F99 PolarHBondContact O-N 3.38Å; L77-F99 HydrophobicContact CB-CE2 3.59Å; L77-F99 HydrophobicContact CB-CZ 4.06Å; L77-F99 HydrophobicContact CD2-CZ 4.48Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 HydrophobicContact CB-CZ 3.99Å; F99-F101 PolarHBondContact O-N 3.31Å; F99-H126 PolarHBondContact O-ND1 3.31Å; F99-I131 WeakPolarHBondContact CA-O 3.49Å; F99-I131 HydrophobicContact CD1-CB 3.96Å; F99-I131 HydrophobicContact CD1-CG2 4.23Å; F99-I131 HydrophobicContact CE1-CB 4.38Å; F99-I131 HydrophobicContact CE1-CG2 4.28Å; F99-T133 HydrophobicContact CB-CG2 4.25Å; F99-T133 HydrophobicContact CD1-CG2 3.75Å; F99-T133 HydrophobicContact CE1-CG2 4.37Å; F99-T133 HydrophobicContact CG-CG2 4.08Å; F99-F136 HydrophobicContact CE1-CB 3.85Å; F99-F136 AromaticContact CE1-CD1 3.76Å; F99-F136 HydrophobicContact CE1-CD1 3.76Å; F99-F136 HydrophobicContact CE1-CD2 4.31Å; F99-F136 HydrophobicContact CE1-CE1 4.41Å; F99-F136 AromaticContact CE1-CG 3.7Å; F99-F136 HydrophobicContact CE1-CG 3.7Å; F99-F136 AromaticContact CZ-CD1 3.79Å; F99-F136 HydrophobicContact CZ-CD1 3.79Å; F99-F136 AromaticContact CZ-CE1 3.99Å; F99-F136 HydrophobicContact CZ-CE1 3.99Å; F99-F136 HydrophobicContact CZ-CG 4.1Å; F99-F136 HydrophobicContact CZ-CZ 4.49Å; F99-L168 HydrophobicContact CZ-CD1 4.5Å |
| 100 | K | 98.8 | Very high | 97 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | trans | -65.3 | 124.7 | 176.5 | -166.9 | 172.1 | -174.9 | 173.4 | 0 | 111.2 | H126 E127 I131 | K100-H126 WeakPolarHBondContact CA-O 3.47Å; K100-E127 WeakPolarHBondContact CE-O 3.38Å; K100-I131 PolarHBondContact N-O 2.81Å | ||
| 101 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -148.5 | 134.4 | -179.1 | -165.6 | -90.5 | 0 | 0 | 0 | 110.4 | P44 K73 I75 F99 L103 D106 I113 F123 H126 E127 | P44-F101 HydrophobicContact CB-CE2 4.43Å; P44-F101 HydrophobicContact CB-CZ 4Å; P44-F101 HydrophobicContact CG-CE2 3.96Å; P44-F101 HydrophobicContact CG-CZ 3.97Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.97Å; I75-F101 HydrophobicContact CD1-CD2 4.39Å; I75-F101 HydrophobicContact CD1-CE1 4.48Å; I75-F101 HydrophobicContact CD1-CE2 4.25Å; I75-F101 HydrophobicContact CD1-CZ 4.3Å; I75-F101 HydrophobicContact CG1-CB 4.48Å; I75-F101 HydrophobicContact CG1-CD1 4.44Å; I75-F101 HydrophobicContact CG1-CD2 3.63Å; I75-F101 HydrophobicContact CG1-CE2 3.88Å; I75-F101 HydrophobicContact CG1-CG 3.94Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; F99-F101 PolarHBondContact O-N 3.31Å; F101-L103 HydrophobicContact CE1-CD2 3.97Å; F101-D106 HydrophobicContact CD2-CB 4.41Å; F101-D106 HydrophobicContact CE1-CB 4.26Å; F101-D106 HydrophobicContact CE2-CB 3.93Å; F101-D106 HydrophobicContact CZ-CB 3.84Å; F101-I113 HydrophobicContact CE1-CD1 4.23Å; F101-F123 AromaticContact CD1-CD1 3.88Å; F101-F123 HydrophobicContact CD1-CD1 3.88Å; F101-F123 AromaticContact CD1-CE1 3.92Å; F101-F123 HydrophobicContact CD1-CE1 3.92Å; F101-F123 HydrophobicContact CE1-CD1 4.39Å; F101-F123 HydrophobicContact CE1-CE1 4.15Å; F101-H126 HydrophobicContact CB-CB 4.21Å; F101-E127 VanDerWaalsContact O-CA 3.32Å; F101-E127 WeakPolarHBondContact O-CA 3.22Å; F101-E127 PolarHBondContact O-N 3.46Å | ||
| 102 | N | 98.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | trans | -125.6 | 114.4 | -177.5 | -170 | -32.6 | 0 | 0 | 0 | 111.2 | T104 E105 D106 E127 | N102-T104 PolarHBondContact O-N 2.98Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.2Å; N102-T104 VanDerWaalsContact OD1-CB 3.26Å; N102-T104 WeakPolarHBondContact OD1-CB 3.29Å; N102-T104 PolarHBondContact OD1-N 3.02Å; N102-T104 PolarHBondContact OD1-OG1 2.84Å; N102-E105 HydrophobicContact CB-CB 4.23Å; N102-E105 HydrophobicContact CB-CG 4.45Å; N102-E105 PolarHBondContact O-N 2.93Å; N102-D106 PolarHBondContact N-OD2 2.88Å; N102-D106 VanDerWaalsContact O-CB 3.26Å; N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 PolarHBondContact O-N 2.84Å; N102-E127 HydrophobicContact CB-CG 4.27Å; N102-E127 VanDerWaalsContact ND2-CD 3.35Å; N102-E127 PolarHBondContact ND2-OE1 3.37Å | ||
| 103 | L | 97.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.9 | 178.9 | -69.5 | 171.7 | 0 | 0 | 0 | 114.3 | F101 Y108 I113 F123 | F101-L103 HydrophobicContact CE1-CD2 3.97Å; L103-Y108 HydrophobicContact CB-CE1 4.45Å; L103-Y108 HydrophobicContact CD2-CD1 4.05Å; L103-Y108 HydrophobicContact CD2-CE1 3.95Å; L103-Y108 WeakPolarHBondContact O-CE1 3.27Å; L103-I113 HydrophobicContact CD1-CG2 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.77Å; L103-I113 HydrophobicContact CD2-CG1 3.89Å; L103-I113 HydrophobicContact CD2-CG2 3.83Å; L103-F123 HydrophobicContact CD1-CB 3.66Å; L103-F123 HydrophobicContact CD1-CD1 4.18Å; L103-F123 HydrophobicContact CD1-CD2 4.32Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.08Å; L103-F123 HydrophobicContact CD2-CE1 4.31Å; L103-F123 HydrophobicContact CD2-CG 4.45Å; L103-F123 HydrophobicContact CG-CB 4.2Å; L103-F123 HydrophobicContact CG-CD1 4.04Å; L103-F123 HydrophobicContact CG-CG 4.16Å |
| 104 | T | 96.9 | Very high | 97 | Very high | 128 Ų | 128 | 48.6 Ų | 48.6 | 79% | 0.785 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -32.7 | 176.4 | -47.3 | 0 | 0 | 0 | 0 | 111.9 | N102 | N102-T104 PolarHBondContact O-N 2.98Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.2Å; N102-T104 VanDerWaalsContact OD1-CB 3.26Å; N102-T104 WeakPolarHBondContact OD1-CB 3.29Å; N102-T104 PolarHBondContact OD1-N 3.02Å; N102-T104 PolarHBondContact OD1-OG1 2.84Å |
| 105 | E | 95.6 | Very high | 96.8 | Very high | 151 Ų | 151 | 51.6 Ų | 51.6 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -34.5 | -171.8 | -60.6 | -173.3 | 160.6 | 0 | 0 | 113 | N102 | N102-E105 HydrophobicContact CB-CB 4.23Å; N102-E105 HydrophobicContact CB-CG 4.45Å; N102-E105 PolarHBondContact O-N 2.93Å |
| 106 | D | 97.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -90.8 | 145.7 | -170.9 | -62.7 | -39.5 | 0 | 0 | 0 | 112 | K73 F101 N102 Y108 | K73-D106 WeakPolarHBondContact CD-OD1 3.34Å; K73-D106 WeakPolarHBondContact CE-OD1 3.46Å; K73-D106 IonicContact NZ-OD1 3.79Å; K73-D106 PolarHBondContact NZ-OD1 2.86Å; K73-D106 IonicContact NZ-OD2 3.87Å; F101-D106 HydrophobicContact CD2-CB 4.41Å; F101-D106 HydrophobicContact CE1-CB 4.26Å; F101-D106 HydrophobicContact CE2-CB 3.93Å; F101-D106 HydrophobicContact CZ-CB 3.84Å; N102-D106 PolarHBondContact N-OD2 2.88Å; N102-D106 VanDerWaalsContact O-CB 3.26Å; N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 PolarHBondContact O-N 2.84Å; D106-Y108 WeakPolarHBondContact O-CD1 3.22Å |
| 107 | M | 96.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 55.7 Ų | 55.7 | 49% | 0.493 | 28% | 0.283 | S | S | . | . | trans | -76.4 | 144.4 | 174.4 | -75.8 | 172.6 | -74.9 | 0 | 0 | 111.2 | L71 L72 | L71-M107 HydrophobicContact CD1-CE 3.25Å; L71-M107 HydrophobicContact CD1-SD 3.79Å; L71-M107 HydrophobicContact CD2-CE 4.31Å; L71-M107 HydrophobicContact CD2-SD 3.96Å; L71-M107 HydrophobicContact CG-CE 3.48Å; L71-M107 VanDerWaalsContact CG-CE 3.48Å; L71-M107 HydrophobicContact CG-SD 3.81Å; L72-M107 HydrophobicContact CD2-CB 3.82Å; L72-M107 VanDerWaalsContact CD2-O 3.26Å; L72-M107 WeakPolarHBondContact CD2-O 3.45Å | ||
| 108 | Y | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | trans | -158 | 161.6 | 178 | 57.3 | -95.5 | 0 | 0 | 0 | 112.9 | P44 L103 D106 I113 | P44-Y108 VanDerWaalsContact CB-CB 3.46Å; L103-Y108 HydrophobicContact CB-CE1 4.45Å; L103-Y108 HydrophobicContact CD2-CD1 4.05Å; L103-Y108 HydrophobicContact CD2-CE1 3.95Å; L103-Y108 WeakPolarHBondContact O-CE1 3.27Å; D106-Y108 WeakPolarHBondContact O-CD1 3.22Å; Y108-I113 HydrophobicContact CD1-CG1 4.38Å; Y108-I113 HydrophobicContact CD2-CB 4.25Å; Y108-I113 HydrophobicContact CD2-CD1 4.35Å; Y108-I113 HydrophobicContact CD2-CG1 3.3Å; Y108-I113 HydrophobicContact CE2-CG1 3.97Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å | ||
| 109 | S | 96 | Very high | 96 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -85.5 | 130.1 | 162.3 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | P44 D111 S112 I113 | P44-S109 WeakPolarHBondContact O-CB 3.48Å; P44-S109 PolarHBondContact O-N 3.25Å; S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 2.98Å; S109-S112 PolarHBondContact O-N 2.7Å; S109-I113 PolarHBondContact O-N 2.88Å; S109-I113 VanDerWaalsContact O-N 3.11Å | ||
| 110 | Q | 94.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | -179 | -172.8 | 62.8 | 53.6 | 0 | 0 | 111.6 | S112 I113 D114 | Q110-S112 PolarHBondContact O-N 2.85Å; Q110-I113 PolarHBondContact O-N 2.72Å; Q110-I113 VanDerWaalsContact O-N 3.15Å; Q110-D114 PolarHBondContact NE2-OD1 3.42Å; Q110-D114 PolarHBondContact O-N 2.75Å |
| 111 | D | 94.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 68% | 0.684 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.2 | -37.2 | -180 | -63.8 | -13.8 | 0 | 0 | 0 | 111.9 | S109 L115 | S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 2.98Å; D111-L115 WeakPolarHBondContact O-CB 3.46Å; D111-L115 PolarHBondContact O-N 2.82Å |
| 112 | S | 93.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 65.1 Ų | 65.1 | 22% | 0.217 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.5 | -41.4 | 178 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | G45 S109 Q110 L115 L116 | G45-S112 WeakPolarHBondContact CA-OG 3.38Å; S109-S112 PolarHBondContact O-N 2.7Å; Q110-S112 PolarHBondContact O-N 2.85Å; S112-L115 PolarHBondContact O-N 3.21Å; S112-L116 WeakPolarHBondContact O-CB 3.32Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.27Å; S112-L116 PolarHBondContact O-N 3.04Å |
| 113 | I | 95.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.8 | -65 | -53.9 | 0 | 0 | 0 | 110.9 | P44 I75 F101 L103 Y108 S109 Q110 L115 L116 Q117 F123 | P44-I113 HydrophobicContact CB-CD1 4.19Å; I75-I113 HydrophobicContact CD1-CD1 4.5Å; F101-I113 HydrophobicContact CE1-CD1 4.23Å; L103-I113 HydrophobicContact CD1-CG2 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.77Å; L103-I113 HydrophobicContact CD2-CG1 3.89Å; L103-I113 HydrophobicContact CD2-CG2 3.83Å; Y108-I113 HydrophobicContact CD1-CG1 4.38Å; Y108-I113 HydrophobicContact CD2-CB 4.25Å; Y108-I113 HydrophobicContact CD2-CD1 4.35Å; Y108-I113 HydrophobicContact CD2-CG1 3.3Å; Y108-I113 HydrophobicContact CE2-CG1 3.97Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å; S109-I113 PolarHBondContact O-N 2.88Å; S109-I113 VanDerWaalsContact O-N 3.11Å; Q110-I113 PolarHBondContact O-N 2.72Å; Q110-I113 VanDerWaalsContact O-N 3.15Å; I113-L115 VanDerWaalsContact C-N 3.35Å; I113-L115 PolarHBondContact O-N 3.27Å; I113-L116 PolarHBondContact O-N 3.33Å; I113-Q117 HydrophobicContact CG2-CG 4.21Å; I113-Q117 WeakPolarHBondContact O-CB 3.4Å; I113-Q117 VanDerWaalsContact O-CG 3.31Å; I113-Q117 WeakPolarHBondContact O-CG 3.26Å; I113-Q117 PolarHBondContact O-N 3.45Å; I113-F123 HydrophobicContact CD1-CE1 3.7Å; I113-F123 HydrophobicContact CD1-CZ 3.6Å; I113-F123 HydrophobicContact CG2-CE2 4.14Å; I113-F123 HydrophobicContact CG2-CZ 4.26Å |
| 114 | D | 95.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 69.1 Ų | 69.1 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 179.3 | -68 | -10.2 | 0 | 0 | 0 | 110.9 | Q110 Q117 N118 | Q110-D114 PolarHBondContact NE2-OD1 3.42Å; Q110-D114 PolarHBondContact O-N 2.75Å; D114-Q117 PolarHBondContact O-N 3.13Å; D114-N118 WeakPolarHBondContact O-CB 3.18Å; D114-N118 PolarHBondContact O-N 3.1Å; D114-N118 PolarHBondContact O-ND2 3.13Å |
| 115 | L | 94.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.2 | -176.8 | 147.3 | 0 | 0 | 0 | 111.7 | D111 S112 I113 N118 S119 H225 | D111-L115 WeakPolarHBondContact O-CB 3.46Å; D111-L115 PolarHBondContact O-N 2.82Å; S112-L115 PolarHBondContact O-N 3.21Å; I113-L115 VanDerWaalsContact C-N 3.35Å; I113-L115 PolarHBondContact O-N 3.27Å; L115-N118 PolarHBondContact O-N 2.83Å; L115-S119 WeakPolarHBondContact O-CB 3.31Å; L115-S119 PolarHBondContact O-N 2.84Å; L115-S119 PolarHBondContact O-OG 2.93Å; L115-H225 HydrophobicContact CD2-CB 4.03Å |
| 116 | L | 94.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | -179.4 | -73.1 | 176.8 | 0 | 0 | 0 | 112.4 | E42 I75 S112 I113 S119 G120 L121 F123 | E42-L116 HydrophobicContact CB-CD2 4.03Å; E42-L116 HydrophobicContact CG-CD2 4.06Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.45Å; I75-L116 HydrophobicContact CD1-CD1 3.68Å; S112-L116 WeakPolarHBondContact O-CB 3.32Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.27Å; S112-L116 PolarHBondContact O-N 3.04Å; I113-L116 PolarHBondContact O-N 3.33Å; L116-S119 CarbonylContact O-C 3.55Å; L116-S119 PolarHBondContact O-N 2.97Å; L116-G120 PolarHBondContact O-N 2.83Å; L116-G120 VanDerWaalsContact O-N 3.11Å; L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD2 4.07Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L116-L121 HydrophobicContact CD2-CD1 4.34Å; L116-L121 HydrophobicContact CD2-CD2 4.09Å; L116-L121 HydrophobicContact CG-CD2 4.36Å; L116-L121 WeakPolarHBondContact O-CB 3.44Å; L116-L121 PolarHBondContact O-N 2.72Å; L116-F123 HydrophobicContact CB-CE2 4.17Å; L116-F123 HydrophobicContact CB-CZ 4Å; L116-F123 HydrophobicContact CD1-CZ 4.3Å |
| 117 | Q | 94.9 | Very high | 95.8 | Very high | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 172.6 | -76.5 | -174.5 | -10.1 | 0 | 0 | 111.4 | I113 D114 S119 G120 F123 | I113-Q117 HydrophobicContact CG2-CG 4.21Å; I113-Q117 WeakPolarHBondContact O-CB 3.4Å; I113-Q117 VanDerWaalsContact O-CG 3.31Å; I113-Q117 WeakPolarHBondContact O-CG 3.26Å; I113-Q117 PolarHBondContact O-N 3.45Å; D114-Q117 PolarHBondContact O-N 3.13Å; Q117-S119 PolarHBondContact O-N 3.06Å; Q117-G120 WeakPolarHBondContact O-CA 3.42Å; Q117-G120 PolarHBondContact O-N 3.23Å; Q117-F123 HydrophobicContact CG-CD2 3.5Å; Q117-F123 HydrophobicContact CG-CE2 3.44Å; Q117-F123 VanDerWaalsContact CG-CE2 3.44Å |
| 118 | N | 95.7 | Very high | 95.9 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 78% | 0.781 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.1 | -28.8 | 176.4 | -70.7 | -31.9 | 0 | 0 | 0 | 112.4 | D114 L115 G120 | D114-N118 WeakPolarHBondContact O-CB 3.18Å; D114-N118 PolarHBondContact O-N 3.1Å; D114-N118 PolarHBondContact O-ND2 3.13Å; L115-N118 PolarHBondContact O-N 2.83Å; N118-G120 PolarHBondContact O-N 2.91Å |
| 119 | S | 93.1 | Very high | 96 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | 174.3 | -53 | 0 | 0 | 0 | 0 | 112.7 | L115 L116 Q117 H225 Q226 | L115-S119 WeakPolarHBondContact O-CB 3.31Å; L115-S119 PolarHBondContact O-N 2.84Å; L115-S119 PolarHBondContact O-OG 2.93Å; L116-S119 CarbonylContact O-C 3.55Å; L116-S119 PolarHBondContact O-N 2.97Å; Q117-S119 PolarHBondContact O-N 3.06Å; S119-H225 WeakPolarHBondContact OG-CB 3.04Å; S119-Q226 PolarHBondContact O-NE2 2.71Å |
| 120 | G | 94.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 17.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L116 Q117 N118 | L116-G120 PolarHBondContact O-N 2.83Å; L116-G120 VanDerWaalsContact O-N 3.11Å; Q117-G120 WeakPolarHBondContact O-CA 3.42Å; Q117-G120 PolarHBondContact O-N 3.23Å; N118-G120 PolarHBondContact O-N 2.91Å |
| 121 | L | 95.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | trans | -67.7 | 133.4 | 172.4 | -88.7 | 68.7 | 0 | 0 | 0 | 110.8 | I75 Q76 L116 F123 Q226 | I75-L121 HydrophobicContact CG2-CD2 3.64Å; Q76-L121 HydrophobicContact CG-CD2 4.25Å; L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD2 4.07Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L116-L121 HydrophobicContact CD2-CD1 4.34Å; L116-L121 HydrophobicContact CD2-CD2 4.09Å; L116-L121 HydrophobicContact CG-CD2 4.36Å; L116-L121 WeakPolarHBondContact O-CB 3.44Å; L116-L121 PolarHBondContact O-N 2.72Å; L121-F123 HydrophobicContact CB-CD2 4.46Å; L121-F123 HydrophobicContact CB-CE2 4.02Å; L121-F123 HydrophobicContact CB-CZ 4.43Å; L121-F123 HydrophobicContact CD2-CZ 4.46Å; L121-F123 PolarHBondContact O-N 2.94Å; L121-Q226 HydrophobicContact CD1-CG 3.79Å | ||
| 122 | Q | 95.4 | Very high | 96.6 | Very high | 122 Ų | 122 | 54.9 Ų | 54.9 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | trans | -100.5 | 77.9 | -177.2 | -63.8 | 177.9 | 3.7 | 0 | 0 | 110 | K124 K125 H126 | Q122-K124 PolarHBondContact O-N 3.11Å; Q122-K124 VanDerWaalsContact O-N 3.12Å; Q122-K125 HydrophobicContact CB-CB 3.93Å; Q122-K125 WeakPolarHBondContact O-CA 3.26Å; Q122-K125 WeakPolarHBondContact O-CB 3.44Å; Q122-K125 PolarHBondContact O-N 3.44Å; Q122-H126 PolarHBondContact O-CD2 3.46Å; Q122-H126 PolarHBondContact O-N 2.92Å; Q122-H126 VanDerWaalsContact O-N 3.08Å | ||
| 123 | F | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.2 | -35.7 | -173.5 | -76.8 | -81 | 0 | 0 | 0 | 114.6 | I75 F101 L103 I113 L116 Q117 L121 K125 H126 E127 | I75-F123 HydrophobicContact CD1-CE1 4Å; I75-F123 HydrophobicContact CD1-CZ 4.36Å; I75-F123 HydrophobicContact CG2-CE1 4.37Å; F101-F123 AromaticContact CD1-CD1 3.88Å; F101-F123 HydrophobicContact CD1-CD1 3.88Å; F101-F123 AromaticContact CD1-CE1 3.92Å; F101-F123 HydrophobicContact CD1-CE1 3.92Å; F101-F123 HydrophobicContact CE1-CD1 4.39Å; F101-F123 HydrophobicContact CE1-CE1 4.15Å; L103-F123 HydrophobicContact CD1-CB 3.66Å; L103-F123 HydrophobicContact CD1-CD1 4.18Å; L103-F123 HydrophobicContact CD1-CD2 4.32Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.08Å; L103-F123 HydrophobicContact CD2-CE1 4.31Å; L103-F123 HydrophobicContact CD2-CG 4.45Å; L103-F123 HydrophobicContact CG-CB 4.2Å; L103-F123 HydrophobicContact CG-CD1 4.04Å; L103-F123 HydrophobicContact CG-CG 4.16Å; I113-F123 HydrophobicContact CD1-CE1 3.7Å; I113-F123 HydrophobicContact CD1-CZ 3.6Å; I113-F123 HydrophobicContact CG2-CE2 4.14Å; I113-F123 HydrophobicContact CG2-CZ 4.26Å; L116-F123 HydrophobicContact CB-CE2 4.17Å; L116-F123 HydrophobicContact CB-CZ 4Å; L116-F123 HydrophobicContact CD1-CZ 4.3Å; Q117-F123 HydrophobicContact CG-CD2 3.5Å; Q117-F123 HydrophobicContact CG-CE2 3.44Å; Q117-F123 VanDerWaalsContact CG-CE2 3.44Å; L121-F123 HydrophobicContact CB-CD2 4.46Å; L121-F123 HydrophobicContact CB-CE2 4.02Å; L121-F123 HydrophobicContact CB-CZ 4.43Å; L121-F123 HydrophobicContact CD2-CZ 4.46Å; L121-F123 PolarHBondContact O-N 2.94Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.32Å; F123-H126 WeakPolarHBondContact O-CB 2.94Å; F123-H126 PolarHBondContact O-N 2.73Å; F123-E127 PolarHBondContact O-N 2.83Å |
| 124 | K | 98.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 59.6 Ų | 59.6 | 61% | 0.613 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 173.8 | -175.3 | 172.7 | 178.8 | 179.1 | 0 | 112.4 | Q122 E127 E128 | Q122-K124 PolarHBondContact O-N 3.11Å; Q122-K124 VanDerWaalsContact O-N 3.12Å; K124-E127 WeakPolarHBondContact O-CB 3.01Å; K124-E127 PolarHBondContact O-N 3.28Å; K124-E128 WeakPolarHBondContact CE-OE1 3.21Å; K124-E128 IonicContact NZ-OE1 3.35Å; K124-E128 WeakPolarHBondContact O-CG 3.36Å; K124-E128 PolarHBondContact O-N 2.95Å; K124-E128 VanDerWaalsContact O-N 3.1Å |
| 125 | K | 98.6 | Very high | 97 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 176.5 | -164.4 | -179.9 | 178.6 | -164.9 | 0 | 111.9 | W16 Q122 F123 E127 E128 E129 G130 | W16-K125 HydrophobicContact CD2-CD 4.28Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.1Å; W16-K125 HydrophobicContact CH2-CB 4.07Å; W16-K125 HydrophobicContact CH2-CD 3.71Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.64Å; W16-K125 HydrophobicContact CZ2-CG 4.26Å; W16-K125 HydrophobicContact CZ3-CB 4.13Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.72Å; W16-K125 VanDerWaalsContact NE1-NZ 3.18Å; Q122-K125 HydrophobicContact CB-CB 3.93Å; Q122-K125 WeakPolarHBondContact O-CA 3.26Å; Q122-K125 WeakPolarHBondContact O-CB 3.44Å; Q122-K125 PolarHBondContact O-N 3.44Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.32Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 3.2Å; K125-E128 PolarHBondContact O-N 2.99Å; K125-E129 WeakPolarHBondContact CE-OE2 3.35Å; K125-E129 HydrophobicContact CG-CB 4.15Å; K125-E129 HydrophobicContact CG-CG 4.31Å; K125-E129 IonicContact NZ-OE2 2.83Å; K125-E129 WeakPolarHBondContact O-CA 3.39Å; K125-E129 WeakPolarHBondContact O-CB 3.4Å; K125-E129 PolarHBondContact O-N 3.47Å; K125-G130 PolarHBondContact O-N 2.92Å |
| 126 | H | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 170.1 | -77 | -93.4 | 0 | 0 | 0 | 111.6 | I75 F99 K100 F101 Q122 F123 G130 | I75-H126 PolarHBondContact O-CE1 2.96Å; I75-H126 VanDerWaalsContact O-CE1 3.32Å; F99-H126 PolarHBondContact O-ND1 3.31Å; K100-H126 WeakPolarHBondContact CA-O 3.47Å; F101-H126 HydrophobicContact CB-CB 4.21Å; Q122-H126 PolarHBondContact O-CD2 3.46Å; Q122-H126 PolarHBondContact O-N 2.92Å; Q122-H126 VanDerWaalsContact O-N 3.08Å; F123-H126 WeakPolarHBondContact O-CB 2.94Å; F123-H126 PolarHBondContact O-N 2.73Å; H126-G130 VanDerWaalsContact O-CA 3.29Å; H126-G130 WeakPolarHBondContact O-CA 3.43Å; H126-G130 PolarHBondContact O-N 2.81Å; H126-G130 VanDerWaalsContact O-N 3.09Å |
| 127 | E | 98.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.8 | -176.2 | 179.4 | 178.1 | 0 | 0 | 112.4 | K100 F101 N102 F123 K124 K125 | K100-E127 WeakPolarHBondContact CE-O 3.38Å; F101-E127 VanDerWaalsContact O-CA 3.32Å; F101-E127 WeakPolarHBondContact O-CA 3.22Å; F101-E127 PolarHBondContact O-N 3.46Å; N102-E127 HydrophobicContact CB-CG 4.27Å; N102-E127 VanDerWaalsContact ND2-CD 3.35Å; N102-E127 PolarHBondContact ND2-OE1 3.37Å; F123-E127 PolarHBondContact O-N 2.83Å; K124-E127 WeakPolarHBondContact O-CB 3.01Å; K124-E127 PolarHBondContact O-N 3.28Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 3.2Å |
| 128 | E | 98.4 | Very high | 97.6 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.7 | -38 | -172 | -67.9 | 174 | 171.3 | 0 | 0 | 113.7 | K124 K125 | K124-E128 WeakPolarHBondContact CE-OE1 3.21Å; K124-E128 IonicContact NZ-OE1 3.35Å; K124-E128 WeakPolarHBondContact O-CG 3.36Å; K124-E128 PolarHBondContact O-N 2.95Å; K124-E128 VanDerWaalsContact O-N 3.1Å; K125-E128 PolarHBondContact O-N 2.99Å |
| 129 | E | 98.7 | Very high | 97.8 | Very high | 85 Ų | 85 | 53.9 Ų | 53.9 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -126.6 | 2.1 | -168 | -59.4 | 179 | -144 | 0 | 0 | 113.8 | W16 A17 K125 | W16-E129 HydrophobicContact CE3-CB 4.09Å; A17-E129 WeakPolarHBondContact CB-O 3.44Å; A17-E129 PolarHBondContact N-O 3.1Å; K125-E129 WeakPolarHBondContact CE-OE2 3.35Å; K125-E129 HydrophobicContact CG-CB 4.15Å; K125-E129 HydrophobicContact CG-CG 4.31Å; K125-E129 IonicContact NZ-OE2 2.83Å; K125-E129 WeakPolarHBondContact O-CA 3.39Å; K125-E129 WeakPolarHBondContact O-CB 3.4Å; K125-E129 PolarHBondContact O-N 3.47Å |
| 130 | G | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 53 Ų | 53 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 148 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N98 K125 H126 | N98-G130 WeakPolarHBondContact O-CA 3.11Å; K125-G130 PolarHBondContact O-N 2.92Å; H126-G130 VanDerWaalsContact O-CA 3.29Å; H126-G130 WeakPolarHBondContact O-CA 3.43Å; H126-G130 PolarHBondContact O-N 2.81Å; H126-G130 VanDerWaalsContact O-N 3.09Å |
| 131 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 135 | 179 | -58.5 | 164.9 | 0 | 0 | 0 | 109.7 | V15 W16 V20 F97 N98 F99 K100 F136 | V15-I131 HydrophobicContact CB-CD1 4.23Å; V15-I131 HydrophobicContact CG1-CD1 3.98Å; W16-I131 VanDerWaalsContact C-CG1 3.41Å; V20-I131 HydrophobicContact CB-CD1 4.31Å; V20-I131 HydrophobicContact CB-CG1 4.43Å; V20-I131 HydrophobicContact CG2-CD1 4.13Å; V20-I131 HydrophobicContact CG2-CG2 4.36Å; F97-I131 HydrophobicContact CB-CD1 4.04Å; F97-I131 HydrophobicContact CD1-CD1 3.88Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.42Å; N98-I131 PolarHBondContact O-N 3.16Å; F99-I131 WeakPolarHBondContact CA-O 3.49Å; F99-I131 HydrophobicContact CD1-CB 3.96Å; F99-I131 HydrophobicContact CD1-CG2 4.23Å; F99-I131 HydrophobicContact CE1-CB 4.38Å; F99-I131 HydrophobicContact CE1-CG2 4.28Å; K100-I131 PolarHBondContact N-O 2.81Å; I131-F136 HydrophobicContact CG2-CB 3.86Å |
| 132 | D | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 126.7 | 168.2 | -178.8 | -87.3 | 0 | 0 | 0 | 110.3 | L134 Y135 F136 | D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.47Å; D132-L134 WeakPolarHBondContact OD1-CA 3.46Å; D132-L134 WeakPolarHBondContact OD1-CB 3.39Å; D132-L134 PolarHBondContact OD1-N 3.23Å; D132-Y135 PolarHBondContact O-N 3.26Å; D132-Y135 PolarHBondContact OD1-N 3.14Å; D132-F136 PolarHBondContact O-N 2.83Å |
| 133 | T | 98 | Very high | 98.3 | Very high | 50 Ų | 50 | 54 Ų | 54 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | -172.9 | 49.2 | 0 | 0 | 0 | 0 | 113 | I74 F99 A137 L168 | I74-T133 HydrophobicContact CG2-CG2 3.9Å; F99-T133 HydrophobicContact CB-CG2 4.25Å; F99-T133 HydrophobicContact CD1-CG2 3.75Å; F99-T133 HydrophobicContact CE1-CG2 4.37Å; F99-T133 HydrophobicContact CG-CG2 4.08Å; T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.05Å; T133-L168 HydrophobicContact CG2-CD1 4.29Å |
| 134 | L | 97.9 | Very high | 98.3 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73 | -41.1 | 178.3 | -62.8 | 177 | 0 | 0 | 0 | 110.8 | D132 F136 A137 E138 D171 | D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.47Å; D132-L134 WeakPolarHBondContact OD1-CA 3.46Å; D132-L134 WeakPolarHBondContact OD1-CB 3.39Å; D132-L134 PolarHBondContact OD1-N 3.23Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.22Å; L134-A137 WeakPolarHBondContact O-CB 3.36Å; L134-A137 PolarHBondContact O-N 2.83Å; L134-E138 PolarHBondContact O-N 3.21Å; L134-D171 HydrophobicContact CD2-CB 3.95Å; L134-D171 VanDerWaalsContact CD2-OD1 3.27Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.46Å |
| 135 | Y | 98.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 173.6 | -173.3 | -120.8 | 0 | 0 | 0 | 111.7 | V20 D21 D132 A137 E138 L139 | V20-Y135 HydrophobicContact CG1-CD1 4.18Å; V20-Y135 HydrophobicContact CG1-CE1 3.81Å; D21-Y135 PolarHBondContact OD1-OH 2.92Å; D21-Y135 PolarHBondContact OD2-OH 2.81Å; D132-Y135 PolarHBondContact O-N 3.26Å; D132-Y135 PolarHBondContact OD1-N 3.14Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; Y135-A137 PolarHBondContact O-N 3.39Å; Y135-E138 WeakPolarHBondContact O-CB 3.43Å; Y135-E138 PolarHBondContact O-N 2.85Å; Y135-L139 HydrophobicContact CD1-CD1 4.11Å; Y135-L139 HydrophobicContact CE1-CD1 3.74Å; Y135-L139 HydrophobicContact CE1-CG 4.44Å; Y135-L139 WeakPolarHBondContact O-CG 3.3Å; Y135-L139 PolarHBondContact O-N 2.98Å; Y135-L139 VanDerWaalsContact O-N 3.15Å |
| 136 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.1 | -179.9 | -102.2 | 0 | 0 | 0 | 112.3 | V20 M24 L77 F97 F99 I131 D132 L134 E138 L139 L140 L168 | V20-F136 HydrophobicContact CG2-CD2 4.37Å; M24-F136 HydrophobicContact SD-CE2 4.21Å; L77-F136 HydrophobicContact CD2-CE1 3.68Å; L77-F136 HydrophobicContact CD2-CZ 3.64Å; F97-F136 AromaticContact CD1-CD2 3.99Å; F97-F136 HydrophobicContact CD1-CD2 3.99Å; F97-F136 AromaticContact CD1-CE2 3.48Å; F97-F136 HydrophobicContact CD1-CE2 3.48Å; F97-F136 VanDerWaalsContact CD1-CE2 3.48Å; F97-F136 HydrophobicContact CD1-CZ 4.33Å; F97-F136 HydrophobicContact CD2-CE2 4.24Å; F97-F136 HydrophobicContact CD2-CZ 4.34Å; F97-F136 HydrophobicContact CE1-CD2 4.21Å; F97-F136 AromaticContact CE1-CE2 3.49Å; F97-F136 HydrophobicContact CE1-CE2 3.49Å; F97-F136 VanDerWaalsContact CE1-CE2 3.49Å; F97-F136 HydrophobicContact CE1-CZ 4.41Å; F97-F136 HydrophobicContact CE2-CE2 4.26Å; F97-F136 HydrophobicContact CE2-CZ 4.42Å; F97-F136 AromaticContact CG-CE2 3.87Å; F97-F136 HydrophobicContact CG-CE2 3.87Å; F97-F136 HydrophobicContact CG-CZ 4.29Å; F97-F136 AromaticContact CZ-CE2 3.88Å; F97-F136 HydrophobicContact CZ-CE2 3.88Å; F97-F136 HydrophobicContact CZ-CZ 4.44Å; F99-F136 HydrophobicContact CE1-CB 3.85Å; F99-F136 AromaticContact CE1-CD1 3.76Å; F99-F136 HydrophobicContact CE1-CD1 3.76Å; F99-F136 HydrophobicContact CE1-CD2 4.31Å; F99-F136 HydrophobicContact CE1-CE1 4.41Å; F99-F136 AromaticContact CE1-CG 3.7Å; F99-F136 HydrophobicContact CE1-CG 3.7Å; F99-F136 AromaticContact CZ-CD1 3.79Å; F99-F136 HydrophobicContact CZ-CD1 3.79Å; F99-F136 AromaticContact CZ-CE1 3.99Å; F99-F136 HydrophobicContact CZ-CE1 3.99Å; F99-F136 HydrophobicContact CZ-CG 4.1Å; F99-F136 HydrophobicContact CZ-CZ 4.49Å; I131-F136 HydrophobicContact CG2-CB 3.86Å; D132-F136 PolarHBondContact O-N 2.83Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.22Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 2.86Å; F136-L139 PolarHBondContact O-N 3.44Å; F136-L140 HydrophobicContact CE1-CB 4.36Å; F136-L140 HydrophobicContact CE1-CD2 3.81Å; F136-L140 HydrophobicContact CZ-CD2 4.31Å; F136-L140 VanDerWaalsContact O-CB 3.31Å; F136-L140 WeakPolarHBondContact O-CB 3.22Å; F136-L140 PolarHBondContact O-N 2.88Å; F136-L168 HydrophobicContact CD1-CD1 3.91Å; F136-L168 HydrophobicContact CD1-CD2 3.99Å; F136-L168 HydrophobicContact CE1-CD2 4.46Å |
| 137 | A | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T133 L134 Y135 L140 M141 L168 | T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.05Å; L134-A137 WeakPolarHBondContact O-CB 3.36Å; L134-A137 PolarHBondContact O-N 2.83Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; Y135-A137 PolarHBondContact O-N 3.39Å; A137-L140 PolarHBondContact O-N 2.86Å; A137-M141 WeakPolarHBondContact O-CB 3.42Å; A137-M141 PolarHBondContact O-N 3.13Å; A137-L168 HydrophobicContact CB-CD2 3.42Å; A137-L168 VanDerWaalsContact CB-CD2 3.42Å; A137-L168 HydrophobicContact CB-CG 4.09Å; A137-L168 WeakPolarHBondContact CB-O 3.31Å |
| 138 | E | 98.4 | Very high | 98.1 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.9 | -48 | 175.3 | -177.3 | -174.3 | 163.8 | 0 | 0 | 111.7 | L134 Y135 F136 L140 M141 | L134-E138 PolarHBondContact O-N 3.21Å; Y135-E138 WeakPolarHBondContact O-CB 3.43Å; Y135-E138 PolarHBondContact O-N 2.85Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.46Å; E138-M141 PolarHBondContact O-N 2.85Å |
| 139 | L | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 179.3 | -67.2 | 176.4 | 0 | 0 | 0 | 112 | V20 M24 R28 Y135 F136 S143 | V20-L139 HydrophobicContact CG1-CD1 4.16Å; V20-L139 HydrophobicContact CG2-CD1 3.84Å; M24-L139 HydrophobicContact CE-CB 4.03Å; M24-L139 HydrophobicContact CG-CB 4.15Å; M24-L139 HydrophobicContact CG-CD1 4.05Å; R28-L139 PolarHBondContact NH2-O 2.98Å; Y135-L139 HydrophobicContact CD1-CD1 4.11Å; Y135-L139 HydrophobicContact CE1-CD1 3.74Å; Y135-L139 HydrophobicContact CE1-CG 4.44Å; Y135-L139 WeakPolarHBondContact O-CG 3.3Å; Y135-L139 PolarHBondContact O-N 2.98Å; Y135-L139 VanDerWaalsContact O-N 3.15Å; F136-L139 PolarHBondContact O-N 3.44Å; L139-S143 WeakPolarHBondContact O-CB 3.47Å; L139-S143 PolarHBondContact O-N 3.3Å |
| 140 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 179.4 | -177.5 | 59.5 | 0 | 0 | 0 | 111.4 | F136 A137 E138 T142 S143 L145 V146 L168 L169 | F136-L140 HydrophobicContact CE1-CB 4.36Å; F136-L140 HydrophobicContact CE1-CD2 3.81Å; F136-L140 HydrophobicContact CZ-CD2 4.31Å; F136-L140 VanDerWaalsContact O-CB 3.31Å; F136-L140 WeakPolarHBondContact O-CB 3.22Å; F136-L140 PolarHBondContact O-N 2.88Å; A137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.46Å; L140-T142 PolarHBondContact O-N 3.06Å; L140-T142 VanDerWaalsContact O-N 3.15Å; L140-S143 WeakPolarHBondContact O-CB 3.46Å; L140-S143 PolarHBondContact O-N 2.77Å; L140-S143 VanDerWaalsContact O-N 3.1Å; L140-S143 PolarHBondContact O-OG 3.1Å; L140-L145 HydrophobicContact CD1-CB 3.73Å; L140-L145 HydrophobicContact CD1-CD1 3.32Å; L140-L145 HydrophobicContact CD1-CG 4.13Å; L140-V146 HydrophobicContact CD1-CG1 4.28Å; L140-V146 HydrophobicContact CD2-CG1 4.4Å; L140-V146 HydrophobicContact CG-CG1 4.18Å; L140-V146 HydrophobicContact CG-CG2 4.48Å; L140-L168 HydrophobicContact CD2-CD2 4.47Å; L140-L169 HydrophobicContact CB-CD2 4.46Å; L140-L169 HydrophobicContact CD2-CD1 4.49Å; L140-L169 HydrophobicContact CD2-CD2 3.82Å; L140-L169 HydrophobicContact CD2-CG 4.34Å; L140-L169 HydrophobicContact CG-CD2 4.1Å |
| 141 | M | 98.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.7 | -36.6 | -177.3 | -170.5 | 64.8 | 70.6 | 0 | 0 | 113.1 | A137 E138 L147 L169 F188 | A137-M141 WeakPolarHBondContact O-CB 3.42Å; A137-M141 PolarHBondContact O-N 3.13Å; E138-M141 PolarHBondContact O-N 2.85Å; M141-L147 HydrophobicContact SD-CD1 3.71Å; M141-L169 HydrophobicContact CE-CD2 4.07Å; M141-F188 HydrophobicContact CE-CE1 3.81Å; M141-F188 HydrophobicContact CE-CZ 4.23Å; M141-F188 HydrophobicContact SD-CE1 3.94Å |
| 142 | T | 96 | Very high | 97.6 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 15.5 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | L140 | L140-T142 PolarHBondContact O-N 3.06Å; L140-T142 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -22.4 | -174.7 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | L139 L140 L145 | L139-S143 WeakPolarHBondContact O-CB 3.47Å; L139-S143 PolarHBondContact O-N 3.3Å; L140-S143 WeakPolarHBondContact O-CB 3.46Å; L140-S143 PolarHBondContact O-N 2.77Å; L140-S143 VanDerWaalsContact O-N 3.1Å; L140-S143 PolarHBondContact O-OG 3.1Å; S143-L145 VanDerWaalsContact OG-CB 3.27Å; S143-L145 WeakPolarHBondContact OG-CB 3.36Å; S143-L145 VanDerWaalsContact OG-CD1 3.28Å; S143-L145 WeakPolarHBondContact OG-CD1 3.11Å; S143-L145 WeakPolarHBondContact OG-CG 3.27Å; S143-L145 PolarHBondContact OG-N 3.06Å |
| 144 | G | 97.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 47 Ų | 47 | 24% | 0.237 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 0.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C148 V151 | G144-C148 PolarHBondContact O-SG 3.36Å; G144-V151 WeakPolarHBondContact O-CG2 3.23Å |
| 145 | L | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -78.7 | -32.5 | 177.3 | -63.8 | 163 | 0 | 0 | 0 | 113 | M24 I27 I31 I37 L79 F81 L140 S143 W153 | M24-L145 HydrophobicContact CE-CD1 4.24Å; I27-L145 HydrophobicContact CG2-CD1 3.78Å; I27-L145 HydrophobicContact CG2-CD2 3.84Å; I27-L145 HydrophobicContact CG2-CG 4.17Å; I31-L145 HydrophobicContact CB-CD2 4.39Å; I31-L145 HydrophobicContact CD1-CD2 3.94Å; I31-L145 HydrophobicContact CG1-CD2 4.02Å; I37-L145 HydrophobicContact CD1-CB 4.31Å; I37-L145 HydrophobicContact CD1-CD2 3.45Å; I37-L145 VanDerWaalsContact CD1-CD2 3.45Å; I37-L145 HydrophobicContact CG1-CD2 4.4Å; L79-L145 HydrophobicContact CD1-CD1 4.46Å; F81-L145 HydrophobicContact CE1-CD2 3.42Å; F81-L145 VanDerWaalsContact CE1-CD2 3.42Å; F81-L145 HydrophobicContact CZ-CD2 3.64Å; L140-L145 HydrophobicContact CD1-CB 3.73Å; L140-L145 HydrophobicContact CD1-CD1 3.32Å; L140-L145 HydrophobicContact CD1-CG 4.13Å; S143-L145 VanDerWaalsContact OG-CB 3.27Å; S143-L145 WeakPolarHBondContact OG-CB 3.36Å; S143-L145 VanDerWaalsContact OG-CD1 3.28Å; S143-L145 WeakPolarHBondContact OG-CD1 3.11Å; S143-L145 WeakPolarHBondContact OG-CG 3.27Å; S143-L145 PolarHBondContact OG-N 3.06Å; L145-W153 HydrophobicContact CB-CZ2 4.29Å; L145-W153 WeakPolarHBondContact O-CZ2 3.43Å; L145-W153 PolarHBondContact O-NE1 3.29Å; L145-W153 VanDerWaalsContact O-NE1 3.16Å |
| 146 | V | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -119.8 | 160.9 | -177.8 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | L140 C148 W153 L169 F188 F189 | L140-V146 HydrophobicContact CD1-CG1 4.28Å; L140-V146 HydrophobicContact CD2-CG1 4.4Å; L140-V146 HydrophobicContact CG-CG1 4.18Å; L140-V146 HydrophobicContact CG-CG2 4.48Å; V146-C148 PolarHBondContact O-N 2.88Å; V146-C148 VanDerWaalsContact O-N 3.09Å; V146-C148 PolarHBondContact O-SG 2.96Å; V146-W153 HydrophobicContact CG1-CZ2 4.13Å; V146-L169 HydrophobicContact CG1-CD1 4.09Å; V146-L169 HydrophobicContact CG2-CD2 4.46Å; V146-F188 WeakPolarHBondContact CA-O 3.41Å; V146-F188 HydrophobicContact CB-CD1 4.34Å; V146-F188 HydrophobicContact CG2-CD1 4.42Å; V146-F189 HydrophobicContact CG1-CD1 4.4Å; V146-F189 HydrophobicContact CG1-CE1 3.72Å; V146-F189 HydrophobicContact CG1-CZ 4.08Å |
| 147 | L | 97.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 61.3 | 12.6 | -178.6 | -54.5 | 167 | 0 | 0 | 0 | 114.1 | M141 L187 F188 | M141-L147 HydrophobicContact SD-CD1 3.71Å; L147-L187 WeakPolarHBondContact CD2-O 3.21Å; L147-F188 HydrophobicContact CD1-CD1 4.4Å; L147-F188 HydrophobicContact CD1-CE1 4.28Å; L147-F188 HydrophobicContact CD2-CD1 3.65Å; L147-F188 HydrophobicContact CD2-CE1 3.99Å; L147-F188 HydrophobicContact CD2-CG 4.3Å; L147-F188 HydrophobicContact CG-CD1 3.84Å; L147-F188 HydrophobicContact CG-CE1 4.21Å; L147-F188 PolarHBondContact N-O 3.48Å |
| 148 | C | 96.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | trans | -114.5 | 118.3 | -175.8 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | G144 V146 N150 V151 | G144-C148 PolarHBondContact O-SG 3.36Å; V146-C148 PolarHBondContact O-N 2.88Å; V146-C148 VanDerWaalsContact O-N 3.09Å; V146-C148 PolarHBondContact O-SG 2.96Å; C148-N150 WeakPolarHBondContact CB-OD1 3.48Å; C148-N150 PolarHBondContact O-N 3.43Å; C148-V151 HydrophobicContact CB-CG2 3.9Å; C148-V151 PolarHBondContact O-N 3.23Å | ||
| 149 | E | 93.4 | Very high | 97.5 | Very high | 179 Ų | 179 | 34.4 Ų | 34.4 | 84% | 0.836 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.1 | -174.7 | -63.5 | -177.8 | 170 | 0 | 0 | 114.1 | V151 | E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 3.33Å |
| 150 | N | 94.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.4 | -179.4 | 66 | -43.4 | 0 | 0 | 0 | 113.5 | N35 C148 | N35-N150 WeakPolarHBondContact CB-O 3.4Å; N35-N150 PolarHBondContact ND2-O 3.05Å; C148-N150 WeakPolarHBondContact CB-OD1 3.48Å; C148-N150 PolarHBondContact O-N 3.43Å |
| 151 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -98.9 | 133.5 | -178.2 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | I31 I37 G144 C148 E149 | I31-V151 HydrophobicContact CD1-CG1 4.24Å; I31-V151 HydrophobicContact CD1-CG2 3.95Å; I31-V151 HydrophobicContact CG1-CG2 4.18Å; I37-V151 HydrophobicContact CD1-CG1 3.32Å; I37-V151 HydrophobicContact CG1-CG1 3.96Å; G144-V151 WeakPolarHBondContact O-CG2 3.23Å; C148-V151 HydrophobicContact CB-CG2 3.9Å; C148-V151 PolarHBondContact O-N 3.23Å; E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 3.33Å | ||
| 152 | K | 98.6 | Very high | 97.5 | Very high | 57 Ų | 57 | 32 Ų | 32 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.1 | 178.8 | -69.1 | 178.3 | 173 | -168.2 | 0 | 110.2 | N35 F36 I37 A191 Y193 | N35-K152 PolarHBondContact O-N 2.56Å; F36-K152 CarbonylContact C-O 3.55Å; F36-K152 WeakPolarHBondContact CA-O 3.38Å; F36-K152 HydrophobicContact CD1-CB 3.95Å; F36-K152 HydrophobicContact CD1-CD 4.3Å; F36-K152 HydrophobicContact CD2-CB 4.49Å; F36-K152 HydrophobicContact CD2-CD 4.43Å; F36-K152 HydrophobicContact CE1-CB 4.06Å; F36-K152 HydrophobicContact CE1-CD 3.59Å; F36-K152 HydrophobicContact CE1-CG 4.47Å; F36-K152 HydrophobicContact CE2-CD 3.72Å; F36-K152 HydrophobicContact CG-CB 4.21Å; F36-K152 HydrophobicContact CZ-CB 4.4Å; F36-K152 HydrophobicContact CZ-CD 3.27Å; F36-K152 HydrophobicContact CZ-CG 4.41Å; I37-K152 PolarHBondContact N-O 3.19Å; K152-A191 HydrophobicContact CG-CB 4.03Å; K152-Y193 HydrophobicContact CB-CE2 4.3Å; K152-Y193 HydrophobicContact CD-CE2 4.14Å; K152-Y193 HydrophobicContact CG-CE2 4.24Å |
| 153 | W | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129 | 179.2 | -72.6 | 76.1 | 0 | 0 | 0 | 110.7 | I37 M39 L79 L145 V146 F162 L165 F189 A191 I192 Y193 | I37-W153 HydrophobicContact CB-CD2 4.36Å; I37-W153 HydrophobicContact CB-CE3 4.4Å; I37-W153 HydrophobicContact CD1-CD2 4.46Å; I37-W153 HydrophobicContact CD1-CH2 4.34Å; I37-W153 HydrophobicContact CD1-CZ2 3.78Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.28Å; I37-W153 HydrophobicContact CG2-CZ3 4.02Å; I37-W153 CarbonylContact O-C 3.57Å; I37-W153 WeakPolarHBondContact O-CA 3.41Å; M39-W153 HydrophobicContact CB-CE3 3.93Å; M39-W153 HydrophobicContact CB-CZ3 3.86Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.96Å; L79-W153 HydrophobicContact CD2-CH2 4.04Å; L79-W153 HydrophobicContact CD2-CZ3 3.75Å; L145-W153 HydrophobicContact CB-CZ2 4.29Å; L145-W153 WeakPolarHBondContact O-CZ2 3.43Å; L145-W153 PolarHBondContact O-NE1 3.29Å; L145-W153 VanDerWaalsContact O-NE1 3.16Å; V146-W153 HydrophobicContact CG1-CZ2 4.13Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CE3-CE1 4.35Å; W153-L165 HydrophobicContact CZ3-CD1 4.13Å; W153-F189 AromaticContact CD1-CD1 3.82Å; W153-F189 AromaticContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CE1 4Å; W153-F189 AromaticContact CE2-CD1 3.43Å; W153-F189 VanDerWaalsContact CE2-CD1 3.43Å; W153-F189 AromaticContact CE2-CE1 3.63Å; W153-F189 HydrophobicContact CE3-CD1 4.31Å; W153-F189 HydrophobicContact CE3-CE1 4.26Å; W153-F189 AromaticContact CG-CD1 3.93Å; W153-F189 HydrophobicContact CG-CD1 3.93Å; W153-F189 HydrophobicContact CH2-CD1 4.47Å; W153-F189 AromaticContact CH2-CE1 3.85Å; W153-F189 HydrophobicContact CH2-CE1 3.85Å; W153-F189 AromaticContact CZ2-CD1 3.88Å; W153-F189 HydrophobicContact CZ2-CD1 3.88Å; W153-F189 AromaticContact CZ2-CE1 3.55Å; W153-F189 HydrophobicContact CZ2-CE1 3.55Å; W153-F189 HydrophobicContact CZ3-CE1 4.19Å; W153-F189 AromaticContact NE1-CD1 3.53Å; W153-A191 PolarHBondContact N-O 2.71Å; W153-I192 HydrophobicContact CB-CG1 4.22Å; W153-I192 CarbonylContact O-C 3.58Å; W153-I192 WeakPolarHBondContact O-CA 3.41Å; W153-Y193 PolarHBondContact O-N 3.4Å |
| 154 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 176.8 | -46.5 | 178.1 | 0 | 0 | 0 | 108.4 | F36 I37 A38 M39 M82 Y193 F238 F239 | F36-L154 HydrophobicContact CB-CD1 4.37Å; F36-L154 HydrophobicContact CD1-CD1 4.1Å; F36-L154 HydrophobicContact CD1-CD2 4.04Å; F36-L154 HydrophobicContact CD1-CG 4.3Å; I37-L154 PolarHBondContact O-N 3.09Å; A38-L154 CarbonylContact C-O 3.5Å; A38-L154 VanDerWaalsContact CA-O 3.29Å; A38-L154 WeakPolarHBondContact CA-O 3.48Å; A38-L154 HydrophobicContact CB-CB 4Å; A38-L154 HydrophobicContact CB-CD1 4.42Å; M39-L154 PolarHBondContact N-O 2.88Å; M82-L154 HydrophobicContact CE-CD1 3.89Å; L154-Y193 HydrophobicContact CD2-CD2 3.95Å; L154-F238 HydrophobicContact CD1-CB 3.97Å; L154-F238 HydrophobicContact CD1-CD1 3.44Å; L154-F238 VanDerWaalsContact CD1-CD1 3.44Å; L154-F238 HydrophobicContact CD1-CD2 4.48Å; L154-F238 HydrophobicContact CD1-CE1 3.98Å; L154-F238 HydrophobicContact CD1-CG 3.72Å; L154-F238 HydrophobicContact CD2-CD1 3.75Å; L154-F238 HydrophobicContact CD2-CD2 3.7Å; L154-F238 HydrophobicContact CD2-CE1 3.62Å; L154-F238 HydrophobicContact CD2-CE2 3.55Å; L154-F238 HydrophobicContact CD2-CG 3.77Å; L154-F238 HydrophobicContact CD2-CZ 3.5Å; L154-F238 VanDerWaalsContact CD2-CZ 3.5Å; L154-F238 HydrophobicContact CG-CD1 4.19Å; L154-F238 HydrophobicContact CG-CE1 4.44Å; L154-F238 HydrophobicContact CG-CG 4.21Å; L154-F239 HydrophobicContact CD1-CE2 4Å |
| 155 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 173.3 | -174.7 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | S158 Y193 V195 | S155-S158 WeakPolarHBondContact CB-OG 3.38Å; S155-S158 WeakPolarHBondContact OG-CB 3.27Å; S155-S158 PolarHBondContact OG-OG 3.19Å; S155-Y193 PolarHBondContact N-O 3.43Å; S155-Y193 VanDerWaalsContact N-O 3.13Å; S155-V195 WeakPolarHBondContact O-CB 3.26Å; S155-V195 WeakPolarHBondContact O-CG2 3.28Å; S155-V195 PolarHBondContact O-N 2.89Å |
| 156 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -138.4 | 116.2 | 176.6 | -172.4 | -81.6 | 0 | 0 | 0 | 110.6 | S158 V195 K196 M199 L209 V212 T234 | F156-S158 PolarHBondContact O-N 3.42Å; F156-V195 HydrophobicContact CD2-CB 3.83Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.11Å; F156-K196 HydrophobicContact CD1-CB 4.5Å; F156-K196 HydrophobicContact CD2-CB 4.42Å; F156-K196 HydrophobicContact CE1-CB 4.43Å; F156-K196 HydrophobicContact CE1-CD 3.77Å; F156-K196 HydrophobicContact CE2-CB 4.34Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CG-CB 4.49Å; F156-K196 HydrophobicContact CZ-CB 4.35Å; F156-K196 HydrophobicContact CZ-CD 3.49Å; F156-K196 VanDerWaalsContact CZ-CD 3.49Å; F156-K196 HydrophobicContact CZ-CG 4.5Å; F156-M199 HydrophobicContact CE2-SD 3.61Å; F156-M199 HydrophobicContact CZ-SD 4.15Å; F156-L209 HydrophobicContact CB-CD1 4.36Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.43Å; F156-L209 HydrophobicContact CD2-CD1 3.79Å; F156-L209 HydrophobicContact CE1-CB 3.94Å; 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 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-V212 HydrophobicContact CE2-CB 4.46Å; F156-V212 HydrophobicContact CE2-CG2 4.15Å; F156-V212 HydrophobicContact CZ-CG2 4.24Å; F156-T234 HydrophobicContact CB-CG2 4.18Å |
| 157 | H | 97 | Very high | 97.8 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 18% | 0.181 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 54.4 | 52.4 | 179.5 | -163.9 | -179.6 | 0 | 0 | 0 | 112.5 | G159 D194 K196 Y260 | H157-G159 PolarHBondContact O-N 3.4Å; H157-D194 PolarHBondContact N-OD1 2.81Å; H157-D194 PolarHBondContact N-OD2 3.43Å; H157-K196 HydrophobicContact CB-CB 4.13Å; H157-K196 HydrophobicContact CB-CG 4.19Å; H157-Y260 AromaticContact CD2-CD1 3.46Å; H157-Y260 VanDerWaalsContact CD2-CD1 3.46Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.39Å; H157-Y260 AromaticContact NE2-CD1 3.49Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.13Å; H157-Y260 AromaticContact NE2-CE1 3.87Å |
| 158 | S | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -100.8 | 16.4 | -148.9 | 59.8 | 0 | 0 | 0 | 0 | 116.7 | S155 F156 Y160 D161 F162 D194 L259 | S155-S158 WeakPolarHBondContact CB-OG 3.38Å; S155-S158 WeakPolarHBondContact OG-CB 3.27Å; S155-S158 PolarHBondContact OG-OG 3.19Å; F156-S158 PolarHBondContact O-N 3.42Å; S158-Y160 PolarHBondContact O-N 3.39Å; S158-D161 VanDerWaalsContact CA-OD2 3.32Å; S158-D161 WeakPolarHBondContact CA-OD2 3.47Å; S158-D161 PolarHBondContact O-N 3Å; S158-F162 WeakPolarHBondContact O-CD2 3.07Å; S158-F162 PolarHBondContact O-N 3.35Å; S158-D194 PolarHBondContact N-OD2 2.89Å; S158-D194 PolarHBondContact OG-OD2 3.47Å; S158-L259 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 159 | G | 97.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.5 | -54.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L65 H157 D161 G163 | L65-G159 WeakPolarHBondContact CD1-O 2.8Å; H157-G159 PolarHBondContact O-N 3.4Å; G159-D161 PolarHBondContact O-N 2.82Å; G159-G163 PolarHBondContact O-N 3.41Å |
| 160 | Y | 98.1 | Very high | 98.1 | Very high | 28 Ų | 28 | 16.9 Ų | 16.9 | 11% | 0.11 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 179.3 | -82.5 | -99.9 | 0 | 0 | 0 | 112.3 | F43 V46 L64 L65 N68 V69 S158 F162 G163 Y164 | F43-Y160 HydrophobicContact CE1-CG 4.39Å; F43-Y160 AromaticContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CE1 4.36Å; F43-Y160 HydrophobicContact CE2-CG 4.32Å; F43-Y160 AromaticContact CZ-CD1 3.7Å; F43-Y160 HydrophobicContact CZ-CD1 3.7Å; F43-Y160 AromaticContact CZ-CG 3.73Å; F43-Y160 HydrophobicContact CZ-CG 3.73Å; V46-Y160 HydrophobicContact CG2-CE1 4.18Å; L64-Y160 PolarHBondContact O-OH 2.86Å; L65-Y160 HydrophobicContact CB-CD2 4.46Å; L65-Y160 HydrophobicContact CB-CE1 4.43Å; L65-Y160 HydrophobicContact CB-CE2 4.03Å; L65-Y160 HydrophobicContact CD1-CD2 4.25Å; L65-Y160 HydrophobicContact CG-CD1 4.31Å; L65-Y160 HydrophobicContact CG-CD2 4.15Å; L65-Y160 HydrophobicContact CG-CE1 4.39Å; L65-Y160 HydrophobicContact CG-CE2 4.21Å; L65-Y160 HydrophobicContact CG-CG 4.19Å; N68-Y160 HydrophobicContact CB-CE1 4.05Å; V69-Y160 HydrophobicContact CG2-CD1 3.75Å; V69-Y160 HydrophobicContact CG2-CE1 4.26Å; S158-Y160 PolarHBondContact O-N 3.39Å; Y160-F162 PolarHBondContact O-N 3.32Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 3.32Å; Y160-G163 PolarHBondContact O-N 2.95Å; Y160-G163 VanDerWaalsContact O-N 3.08Å; Y160-Y164 HydrophobicContact CD1-CE2 4.47Å; Y160-Y164 VanDerWaalsContact O-CD2 3.23Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.47Å; Y160-Y164 PolarHBondContact O-N 3.11Å |
| 161 | D | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | -178.4 | -56.1 | -52 | 0 | 0 | 0 | 111.3 | M39 T41 S158 G159 G163 Y164 L165 K284 | M39-D161 HydrophobicContact CE-CB 3.63Å; M39-D161 HydrophobicContact SD-CB 3.69Å; T41-D161 WeakPolarHBondContact CB-OD1 3.37Å; T41-D161 HydrophobicContact CG2-CB 4.01Å; T41-D161 PolarHBondContact N-OD1 2.83Å; T41-D161 PolarHBondContact OG1-OD1 2.82Å; S158-D161 VanDerWaalsContact CA-OD2 3.32Å; S158-D161 WeakPolarHBondContact CA-OD2 3.47Å; S158-D161 PolarHBondContact O-N 3Å; G159-D161 PolarHBondContact O-N 2.82Å; D161-G163 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 2.63Å; D161-Y164 PolarHBondContact O-N 3.22Å; D161-L165 PolarHBondContact O-N 3.42Å; D161-K284 IonicContact OD1-NZ 2.63Å; D161-K284 PolarHBondContact OD1-NZ 2.63Å; D161-K284 IonicContact OD2-NZ 3.55Å |
| 162 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.4 | -30.1 | 174.6 | -77.4 | -65.1 | 0 | 0 | 0 | 112.8 | M39 W153 S158 Y160 L165 V166 L185 F189 I192 L259 | M39-F162 HydrophobicContact CE-CD1 4.25Å; M39-F162 HydrophobicContact CE-CD2 4.36Å; M39-F162 HydrophobicContact CE-CE1 4Å; M39-F162 HydrophobicContact CE-CE2 4.11Å; M39-F162 HydrophobicContact CE-CG 4.43Å; M39-F162 HydrophobicContact CE-CZ 3.91Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CE3-CE1 4.35Å; S158-F162 WeakPolarHBondContact O-CD2 3.07Å; S158-F162 PolarHBondContact O-N 3.35Å; Y160-F162 PolarHBondContact O-N 3.32Å; F162-L165 HydrophobicContact CD1-CD1 4.33Å; F162-L165 PolarHBondContact O-N 2.96Å; F162-V166 WeakPolarHBondContact O-CB 3.44Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.43Å; F162-L185 HydrophobicContact CB-CD1 3.64Å; F162-L185 HydrophobicContact CD1-CD1 3.74Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; F162-F189 HydrophobicContact CD1-CD1 4.4Å; F162-F189 HydrophobicContact CD1-CD2 4.01Å; F162-F189 HydrophobicContact CD1-CE1 4.48Å; F162-F189 HydrophobicContact CD1-CE2 4.1Å; F162-F189 HydrophobicContact CD1-CG 4.17Å; F162-F189 HydrophobicContact CD1-CZ 4.35Å; F162-F189 HydrophobicContact CE1-CB 4.34Å; F162-F189 AromaticContact CE1-CD1 3.84Å; F162-F189 HydrophobicContact CE1-CD1 3.84Å; F162-F189 HydrophobicContact CE1-CD2 4.18Å; F162-F189 HydrophobicContact CE1-CE1 4.15Å; F162-F189 HydrophobicContact CE1-CE2 4.47Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.47Å; F162-I192 HydrophobicContact CD1-CD1 4.22Å; F162-I192 HydrophobicContact CD2-CD1 4.36Å; F162-I192 HydrophobicContact CD2-CG2 4.48Å; F162-I192 HydrophobicContact CE1-CD1 3.85Å; F162-I192 HydrophobicContact CE1-CG1 4.11Å; F162-I192 HydrophobicContact CE2-CD1 4Å; F162-I192 HydrophobicContact CE2-CG1 4.24Å; F162-I192 HydrophobicContact CE2-CG2 3.49Å; F162-I192 VanDerWaalsContact CE2-CG2 3.49Å; F162-I192 HydrophobicContact CG-CD1 4.47Å; F162-I192 HydrophobicContact CZ-CB 4.33Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.72Å; F162-I192 HydrophobicContact CZ-CG2 3.66Å; F162-L259 HydrophobicContact CD2-CD1 4.39Å; F162-L259 HydrophobicContact CD2-CD2 3.7Å; F162-L259 HydrophobicContact CE2-CD2 3.95Å |
| 163 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G159 Y160 D161 V166 K167 | G159-G163 PolarHBondContact O-N 3.41Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 3.32Å; Y160-G163 PolarHBondContact O-N 2.95Å; Y160-G163 VanDerWaalsContact O-N 3.08Å; D161-G163 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 2.63Å; G163-V166 PolarHBondContact O-N 3.02Å; G163-K167 WeakPolarHBondContact O-CB 3.37Å; G163-K167 PolarHBondContact O-N 3.26Å |
| 164 | Y | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.02 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177 | -80.1 | -72.1 | 0 | 0 | 0 | 112.4 | F43 V69 L72 I74 Y160 D161 K167 L168 | F43-Y164 HydrophobicContact CB-CD2 4.34Å; F43-Y164 HydrophobicContact CB-CE1 4.44Å; F43-Y164 HydrophobicContact CB-CE2 3.54Å; F43-Y164 WeakPolarHBondContact CB-OH 3.41Å; F43-Y164 AromaticContact CD1-CD2 3.97Å; F43-Y164 HydrophobicContact CD1-CD2 3.97Å; F43-Y164 AromaticContact CD1-CE2 3.47Å; F43-Y164 HydrophobicContact CD1-CE2 3.47Å; F43-Y164 VanDerWaalsContact CD1-CE2 3.47Å; F43-Y164 AromaticContact CD2-CE2 3.66Å; F43-Y164 HydrophobicContact CD2-CE2 3.66Å; F43-Y164 AromaticContact CD2-CZ 3.97Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.36Å; F43-Y164 HydrophobicContact CE1-CD2 4.48Å; F43-Y164 HydrophobicContact CE1-CE2 4.02Å; F43-Y164 HydrophobicContact CE2-CE2 4.19Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.27Å; F43-Y164 HydrophobicContact CG-CE2 3.27Å; F43-Y164 AromaticContact CG-CZ 3.74Å; F43-Y164 HydrophobicContact CZ-CE2 4.35Å; V69-Y164 HydrophobicContact CG1-CD1 4.07Å; V69-Y164 HydrophobicContact CG1-CE1 4.28Å; V69-Y164 HydrophobicContact CG1-CG 4.28Å; V69-Y164 HydrophobicContact CG2-CD2 4.22Å; V69-Y164 HydrophobicContact CG2-CE2 4Å; L72-Y164 WeakPolarHBondContact CB-OH 3.39Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.3Å; I74-Y164 HydrophobicContact CB-CG 4.21Å; Y160-Y164 HydrophobicContact CD1-CE2 4.47Å; Y160-Y164 VanDerWaalsContact O-CD2 3.23Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.47Å; Y160-Y164 PolarHBondContact O-N 3.11Å; D161-Y164 PolarHBondContact O-N 3.22Å; Y164-K167 PolarHBondContact O-N 3.22Å; Y164-L168 WeakPolarHBondContact O-CB 3.26Å; Y164-L168 PolarHBondContact O-N 2.83Å |
| 165 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 178.2 | -69.6 | -178 | 0 | 0 | 0 | 112.6 | M39 L77 W153 D161 F162 L168 L169 F189 | M39-L165 HydrophobicContact CE-CD1 3.82Å; M39-L165 HydrophobicContact CG-CD1 4.43Å; M39-L165 HydrophobicContact SD-CD1 4.29Å; L77-L165 HydrophobicContact CD1-CD2 4.11Å; L77-L165 HydrophobicContact CD2-CD2 3.96Å; W153-L165 HydrophobicContact CZ3-CD1 4.13Å; D161-L165 PolarHBondContact O-N 3.42Å; F162-L165 HydrophobicContact CD1-CD1 4.33Å; F162-L165 PolarHBondContact O-N 2.96Å; L165-L168 PolarHBondContact O-N 3.25Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 WeakPolarHBondContact O-CD1 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.11Å; L165-F189 HydrophobicContact CB-CE2 4.29Å; L165-F189 HydrophobicContact CB-CZ 3.85Å; L165-F189 HydrophobicContact CD1-CE1 4.11Å; L165-F189 HydrophobicContact CD1-CZ 3.87Å; L165-F189 HydrophobicContact CG-CZ 4.49Å |
| 166 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | F162 G163 L168 L169 T170 L174 F181 I184 L185 F189 | F162-V166 WeakPolarHBondContact O-CB 3.44Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.43Å; G163-V166 PolarHBondContact O-N 3.02Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 3.11Å; V166-L169 PolarHBondContact O-N 3.39Å; V166-T170 HydrophobicContact CG1-CG2 4.17Å; V166-T170 WeakPolarHBondContact O-CG2 3.44Å; V166-T170 PolarHBondContact O-N 3.35Å; V166-T170 PolarHBondContact O-OG1 3.15Å; V166-T170 VanDerWaalsContact O-OG1 3.05Å; V166-L174 HydrophobicContact CB-CD2 3.91Å; V166-L174 HydrophobicContact CG1-CD2 3.65Å; V166-F181 HydrophobicContact CB-CE2 4.05Å; V166-F181 HydrophobicContact CG1-CD2 4.34Å; V166-F181 HydrophobicContact CG1-CE2 4.33Å; V166-F181 HydrophobicContact CG2-CE2 3.87Å; V166-I184 HydrophobicContact CG1-CG2 3.84Å; V166-L185 HydrophobicContact CG2-CB 4.45Å; V166-L185 HydrophobicContact CG2-CD1 3.88Å; V166-F189 HydrophobicContact CG2-CE2 4.44Å |
| 167 | K | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 22% | 0.222 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.9 | -45.5 | 175.2 | 173.5 | -177.5 | 176.9 | -178.4 | 0 | 111.7 | V69 D70 L72 G163 Y164 D171 L174 | V69-K167 HydrophobicContact CG1-CB 4.15Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 VanDerWaalsContact O-CD 3.27Å; V69-K167 WeakPolarHBondContact O-CD 3.48Å; V69-K167 PolarHBondContact O-NZ 3.27Å; D70-K167 PolarHBondContact O-NZ 3.4Å; L72-K167 PolarHBondContact O-NZ 2.99Å; G163-K167 WeakPolarHBondContact O-CB 3.37Å; G163-K167 PolarHBondContact O-N 3.26Å; Y164-K167 PolarHBondContact O-N 3.22Å; K167-D171 WeakPolarHBondContact O-CA 3.13Å; K167-D171 PolarHBondContact O-N 3.23Å; K167-L174 HydrophobicContact CB-CD2 4.23Å; K167-L174 HydrophobicContact CB-CG 4.49Å |
| 168 | L | 97.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | -179.7 | -179.5 | 149.2 | 0 | 0 | 0 | 111.8 | F99 T133 F136 A137 L140 Y164 L165 V166 | F99-L168 HydrophobicContact CZ-CD1 4.5Å; T133-L168 HydrophobicContact CG2-CD1 4.29Å; F136-L168 HydrophobicContact CD1-CD1 3.91Å; F136-L168 HydrophobicContact CD1-CD2 3.99Å; F136-L168 HydrophobicContact CE1-CD2 4.46Å; A137-L168 HydrophobicContact CB-CD2 3.42Å; A137-L168 VanDerWaalsContact CB-CD2 3.42Å; A137-L168 HydrophobicContact CB-CG 4.09Å; A137-L168 WeakPolarHBondContact CB-O 3.31Å; L140-L168 HydrophobicContact CD2-CD2 4.47Å; Y164-L168 WeakPolarHBondContact O-CB 3.26Å; Y164-L168 PolarHBondContact O-N 2.83Å; L165-L168 PolarHBondContact O-N 3.25Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 3.11Å |
| 169 | L | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.2 | -28.4 | -176.7 | -73.6 | 167.6 | 0 | 0 | 0 | 113.5 | L140 M141 V146 L165 V166 F188 F189 | L140-L169 HydrophobicContact CB-CD2 4.46Å; L140-L169 HydrophobicContact CD2-CD1 4.49Å; L140-L169 HydrophobicContact CD2-CD2 3.82Å; L140-L169 HydrophobicContact CD2-CG 4.34Å; L140-L169 HydrophobicContact CG-CD2 4.1Å; M141-L169 HydrophobicContact CE-CD2 4.07Å; V146-L169 HydrophobicContact CG1-CD1 4.09Å; V146-L169 HydrophobicContact CG2-CD2 4.46Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 WeakPolarHBondContact O-CD1 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.11Å; V166-L169 PolarHBondContact O-N 3.39Å; L169-F188 HydrophobicContact CB-CD1 4.36Å; L169-F188 HydrophobicContact CB-CE1 3.97Å; L169-F188 HydrophobicContact CB-CE2 4.12Å; L169-F188 HydrophobicContact CB-CZ 3.83Å; L169-F188 HydrophobicContact CD1-CB 4.21Å; L169-F188 HydrophobicContact CD1-CD1 3.77Å; L169-F188 HydrophobicContact CD1-CD2 4.39Å; L169-F188 HydrophobicContact CD1-CE1 4.2Å; L169-F188 HydrophobicContact CD1-CG 3.88Å; L169-F188 HydrophobicContact CD2-CE1 4.48Å; L169-F188 HydrophobicContact CG-CD1 4.5Å; L169-F188 HydrophobicContact CG-CE1 4.46Å; L169-F189 HydrophobicContact CD1-CE2 4.01Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å |
| 170 | T | 98.1 | Very high | 97.4 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -90.6 | -19 | 177.6 | 65 | 0 | 0 | 0 | 0 | 113.1 | V166 T172 I184 F188 | V166-T170 HydrophobicContact CG1-CG2 4.17Å; V166-T170 WeakPolarHBondContact O-CG2 3.44Å; V166-T170 PolarHBondContact O-N 3.35Å; V166-T170 PolarHBondContact O-OG1 3.15Å; V166-T170 VanDerWaalsContact O-OG1 3.05Å; T170-T172 WeakPolarHBondContact CB-OG1 2.95Å; T170-T172 PolarHBondContact O-N 3.19Å; T170-T172 PolarHBondContact OG1-N 2.74Å; T170-T172 PolarHBondContact OG1-OG1 3.41Å; T170-I184 HydrophobicContact CG2-CG2 3.95Å; T170-F188 HydrophobicContact CG2-CE2 3.93Å; T170-F188 HydrophobicContact CG2-CZ 4.48Å |
| 171 | D | 97.4 | Very high | 97.3 | Very high | 113 Ų | 113 | 45.3 Ų | 45.3 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 38.3 | -168.8 | -169.4 | 28.5 | 0 | 0 | 0 | 112.4 | L134 K167 | L134-D171 HydrophobicContact CD2-CB 3.95Å; L134-D171 VanDerWaalsContact CD2-OD1 3.27Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.46Å; K167-D171 WeakPolarHBondContact O-CA 3.13Å; K167-D171 PolarHBondContact O-N 3.23Å |
| 172 | T | 97.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -137.8 | 165.2 | 178 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | T170 | T170-T172 WeakPolarHBondContact CB-OG1 2.95Å; T170-T172 PolarHBondContact O-N 3.19Å; T170-T172 PolarHBondContact OG1-N 2.74Å; T170-T172 PolarHBondContact OG1-OG1 3.41Å |
| 173 | R | 98 | Very high | 97.2 | Very high | 199 Ų | 199 | 52.3 Ų | 52.3 | 75% | 0.751 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -57.3 | 150 | 163 | -68.1 | -174.3 | -179.7 | -169.2 | -2.7 | 110.4 | D70 | D70-R173 HydrophobicContact CB-CG 4.46Å; D70-R173 VanDerWaalsContact OD1-CA 3.3Å; D70-R173 WeakPolarHBondContact OD1-CA 3.29Å |
| 174 | L | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 148.9 | 174.5 | -71.7 | -176.2 | 0 | 0 | 0 | 110.7 | L65 R66 V69 D70 V166 K167 F181 | L65-L174 HydrophobicContact CD2-CD1 3.66Å; R66-L174 HydrophobicContact CG-CB 3.89Å; V69-L174 HydrophobicContact CB-CD1 3.87Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; V69-L174 HydrophobicContact CG2-CD1 4.48Å; D70-L174 PolarHBondContact OD1-N 3.13Å; V166-L174 HydrophobicContact CB-CD2 3.91Å; V166-L174 HydrophobicContact CG1-CD2 3.65Å; K167-L174 HydrophobicContact CB-CD2 4.23Å; K167-L174 HydrophobicContact CB-CG 4.49Å; L174-F181 HydrophobicContact CD2-CD2 4.11Å; L174-F181 HydrophobicContact CD2-CE2 4.2Å |
| 175 | P | 97.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 152 | 179.3 | -29.2 | 37.6 | 0 | 0 | 0 | 113.4 | Y62 R66 E180 F181 I184 | Y62-P175 PolarHBondContact OH-O 2.8Å; R66-P175 WeakPolarHBondContact CD-O 3.4Å; P175-E180 HydrophobicContact CB-CB 3.68Å; P175-E180 HydrophobicContact CG-CB 4.27Å; P175-F181 HydrophobicContact CB-CB 4.45Å; P175-F181 HydrophobicContact CG-CB 4.24Å; P175-I184 HydrophobicContact CG-CD1 3.7Å |
| 176 | E | 94.9 | Very high | 97.1 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -72.1 | -34.1 | -179.3 | -65.4 | -168.1 | 165.5 | 0 | 0 | 112.2 | Q63 | Q63-E176 PolarHBondContact NE2-O 2.83Š|
| 177 | E | 92.8 | Very high | 97 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -108.1 | 136.2 | -176.8 | -64.2 | -83.8 | 167.1 | 0 | 0 | 111 | R55 H179 E180 F181 | R55-E177 IonicContact CZ-OE1 3.58Å; R55-E177 IonicContact CZ-OE2 3.75Å; R55-E177 IonicContact NH1-OE1 3.38Å; R55-E177 PolarHBondContact NH1-OE1 2.69Å; R55-E177 IonicContact NH1-OE2 2.84Å; R55-E177 PolarHBondContact NH1-OE2 3.05Å; R55-E177 IonicContact NH2-OE1 2.95Å; R55-E177 PolarHBondContact NH2-OE1 2.89Å; R55-E177 IonicContact NH2-OE2 3.85Å; E177-H179 VanDerWaalsContact C-N 3.26Å; E177-H179 VanDerWaalsContact CB-CE1 3.45Å; E177-H179 WeakPolarHBondContact CB-CE1 3.36Å; E177-H179 PolarHBondContact O-N 3.47Å; E177-H179 VanDerWaalsContact O-N 3.16Å; E177-E180 HydrophobicContact CB-CG 4.41Å; E177-E180 PolarHBondContact O-N 2.8Å; E177-E180 VanDerWaalsContact O-N 3.09Å; E177-F181 PolarHBondContact O-N 2.93Å |
| 178 | E | 94.8 | Very high | 97 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.5 | -39.2 | -174 | -177.3 | -175.9 | -148.9 | 0 | 0 | 112.9 | Y62 E180 F181 F182 L262 G263 | Y62-E178 HydrophobicContact CD1-CB 3.74Å; Y62-E178 HydrophobicContact CD1-CG 4.46Å; Y62-E178 HydrophobicContact CD2-CB 4.1Å; Y62-E178 HydrophobicContact CD2-CG 3.95Å; Y62-E178 HydrophobicContact CE1-CB 4.25Å; Y62-E178 HydrophobicContact CG-CB 3.66Å; Y62-E178 HydrophobicContact CG-CG 3.89Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 3.26Å; E178-F181 WeakPolarHBondContact O-CB 3.43Å; E178-F181 PolarHBondContact O-N 3.08Å; E178-F182 HydrophobicContact CG-CD2 3.84Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.37Å; E178-F182 PolarHBondContact O-N 2.82Å; E178-L262 WeakPolarHBondContact OE1-CA 3.49Å; E178-L262 WeakPolarHBondContact OE1-CB 3.39Å; E178-G263 PolarHBondContact OE1-N 2.97Å |
| 179 | H | 94.3 | Very high | 97.1 | Very high | 104 Ų | 104 | 61.6 Ų | 61.6 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | -177.6 | 70.1 | -83.9 | 0 | 0 | 0 | 112.8 | E177 F182 Q183 | E177-H179 VanDerWaalsContact C-N 3.26Å; E177-H179 VanDerWaalsContact CB-CE1 3.45Å; E177-H179 WeakPolarHBondContact CB-CE1 3.36Å; E177-H179 PolarHBondContact O-N 3.47Å; E177-H179 VanDerWaalsContact O-N 3.16Å; H179-F182 PolarHBondContact O-N 3.08Å; H179-Q183 WeakPolarHBondContact O-CG 3.36Å; H179-Q183 PolarHBondContact O-N 3.35Å |
| 180 | E | 96.6 | Very high | 97 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 175.1 | -61.7 | -176.7 | 153.8 | 0 | 0 | 110.7 | P175 E177 E178 Q183 I184 | P175-E180 HydrophobicContact CB-CB 3.68Å; P175-E180 HydrophobicContact CG-CB 4.27Å; E177-E180 HydrophobicContact CB-CG 4.41Å; E177-E180 PolarHBondContact O-N 2.8Å; E177-E180 VanDerWaalsContact O-N 3.09Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 3.26Å; E180-Q183 WeakPolarHBondContact O-CB 3.36Å; E180-Q183 PolarHBondContact O-N 3.43Å; E180-I184 PolarHBondContact O-N 3.45Å; E180-I184 VanDerWaalsContact O-N 3.11Å |
| 181 | F | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 171 | 166 | -98 | 0 | 0 | 0 | 112 | Y62 V166 L174 P175 E177 E178 Q183 I184 L185 L259 | Y62-F181 HydrophobicContact CD2-CD1 4.47Å; Y62-F181 HydrophobicContact CE2-CB 3.67Å; Y62-F181 AromaticContact CE2-CD1 3.83Å; Y62-F181 HydrophobicContact CE2-CD1 3.83Å; Y62-F181 HydrophobicContact CE2-CD2 4.27Å; Y62-F181 AromaticContact CE2-CG 3.65Å; Y62-F181 HydrophobicContact CE2-CG 3.65Å; Y62-F181 VanDerWaalsContact OH-CB 3.24Å; Y62-F181 WeakPolarHBondContact OH-CB 3.34Å; V166-F181 HydrophobicContact CB-CE2 4.05Å; V166-F181 HydrophobicContact CG1-CD2 4.34Å; V166-F181 HydrophobicContact CG1-CE2 4.33Å; V166-F181 HydrophobicContact CG2-CE2 3.87Å; L174-F181 HydrophobicContact CD2-CD2 4.11Å; L174-F181 HydrophobicContact CD2-CE2 4.2Å; P175-F181 HydrophobicContact CB-CB 4.45Å; P175-F181 HydrophobicContact CG-CB 4.24Å; E177-F181 PolarHBondContact O-N 2.93Å; E178-F181 WeakPolarHBondContact O-CB 3.43Å; E178-F181 PolarHBondContact O-N 3.08Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.49Å; F181-I184 PolarHBondContact O-N 3.46Å; F181-L185 HydrophobicContact CE1-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CD1 4.32Å; F181-L185 HydrophobicContact CZ-CD2 4.39Å; F181-L185 VanDerWaalsContact O-CB 3.26Å; F181-L185 WeakPolarHBondContact O-CB 3.5Å; F181-L185 PolarHBondContact O-N 3.26Å; F181-L259 HydrophobicContact CE1-CD1 4.29Å |
| 182 | F | 96.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -32.1 | 176.6 | -85 | -81 | 0 | 0 | 0 | 113.1 | E178 H179 L185 N186 L259 L262 | E178-F182 HydrophobicContact CG-CD2 3.84Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.37Å; E178-F182 PolarHBondContact O-N 2.82Å; H179-F182 PolarHBondContact O-N 3.08Å; F182-L185 HydrophobicContact CD1-CD2 3.85Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; F182-N186 VanDerWaalsContact O-CB 3.32Å; F182-N186 WeakPolarHBondContact O-CB 3.5Å; F182-N186 PolarHBondContact O-N 3.5Å; F182-N186 PolarHBondContact O-ND2 3.35Å; F182-N186 VanDerWaalsContact O-ND2 3.11Å; F182-L259 HydrophobicContact CE1-CD1 4.1Å; F182-L259 HydrophobicContact CE1-CG 4.08Å; F182-L259 HydrophobicContact CZ-CB 4.44Å; F182-L259 HydrophobicContact CZ-CD1 4.14Å; F182-L259 HydrophobicContact CZ-CG 4.28Å; F182-L262 HydrophobicContact CE2-CB 4.06Å; F182-L262 HydrophobicContact CZ-CB 3.84Å |
| 183 | Q | 97.1 | Very high | 97.1 | Very high | 123 Ų | 123 | 52.8 Ų | 52.8 | 58% | 0.575 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.4 | -47.9 | 173.3 | -73.5 | 170.6 | 2.5 | 0 | 0 | 111.3 | H179 E180 F181 L187 | H179-Q183 WeakPolarHBondContact O-CG 3.36Å; H179-Q183 PolarHBondContact O-N 3.35Å; E180-Q183 WeakPolarHBondContact O-CB 3.36Å; E180-Q183 PolarHBondContact O-N 3.43Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.49Å; Q183-L187 WeakPolarHBondContact O-CG 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å |
| 184 | I | 98.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 178.2 | -63.3 | 176.3 | 0 | 0 | 0 | 110.9 | V166 T170 P175 E180 F181 N186 L187 F188 | V166-I184 HydrophobicContact CG1-CG2 3.84Å; T170-I184 HydrophobicContact CG2-CG2 3.95Å; P175-I184 HydrophobicContact CG-CD1 3.7Å; E180-I184 PolarHBondContact O-N 3.45Å; E180-I184 VanDerWaalsContact O-N 3.11Å; F181-I184 PolarHBondContact O-N 3.46Å; I184-N186 VanDerWaalsContact C-N 3.33Å; I184-N186 PolarHBondContact O-N 3.03Å; I184-L187 WeakPolarHBondContact O-CB 3.5Å; I184-L187 PolarHBondContact O-N 3.11Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.71Å; I184-F188 WeakPolarHBondContact O-CD2 3.32Å; I184-F188 PolarHBondContact O-N 3.38Å |
| 185 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.3 | -50 | 178.5 | -178.9 | 73 | 0 | 0 | 0 | 111.2 | F162 V166 F181 F182 L187 F188 F189 I192 L259 | F162-L185 HydrophobicContact CB-CD1 3.64Å; F162-L185 HydrophobicContact CD1-CD1 3.74Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; V166-L185 HydrophobicContact CG2-CB 4.45Å; V166-L185 HydrophobicContact CG2-CD1 3.88Å; F181-L185 HydrophobicContact CE1-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CD1 4.32Å; F181-L185 HydrophobicContact CZ-CD2 4.39Å; F181-L185 VanDerWaalsContact O-CB 3.26Å; F181-L185 WeakPolarHBondContact O-CB 3.5Å; F181-L185 PolarHBondContact O-N 3.26Å; F182-L185 HydrophobicContact CD1-CD2 3.85Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; L185-L187 PolarHBondContact O-N 3.03Å; L185-F188 PolarHBondContact O-N 3.41Å; L185-F189 HydrophobicContact CD1-CD2 3.72Å; L185-F189 HydrophobicContact CD1-CE2 4.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.32Å; L185-F189 PolarHBondContact O-N 3.36Å; L185-I192 HydrophobicContact CD1-CD1 4.03Å; L185-I192 HydrophobicContact CD2-CD1 3.89Å; L185-I192 HydrophobicContact CG-CD1 3.86Å; L185-L259 HydrophobicContact CD2-CD1 3.79Å; L185-L259 HydrophobicContact CD2-CG 4.39Å |
| 186 | N | 97.1 | Very high | 97.1 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 39% | 0.39 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.6 | -20.4 | -177 | -68.1 | -21 | 0 | 0 | 0 | 113.2 | F182 I184 | F182-N186 VanDerWaalsContact O-CB 3.32Å; F182-N186 WeakPolarHBondContact O-CB 3.5Å; F182-N186 PolarHBondContact O-N 3.5Å; F182-N186 PolarHBondContact O-ND2 3.35Å; F182-N186 VanDerWaalsContact O-ND2 3.11Å; I184-N186 VanDerWaalsContact C-N 3.33Å; I184-N186 PolarHBondContact O-N 3.03Å |
| 187 | L | 97.7 | Very high | 97.2 | Very high | 119 Ų | 119 | 39.7 Ų | 39.7 | 62% | 0.623 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -71.5 | -51 | 171.2 | -67.7 | 171.3 | 0 | 0 | 0 | 110.4 | L147 Q183 I184 L185 | L147-L187 WeakPolarHBondContact CD2-O 3.21Å; Q183-L187 WeakPolarHBondContact O-CG 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å; I184-L187 WeakPolarHBondContact O-CB 3.5Å; I184-L187 PolarHBondContact O-N 3.11Å; I184-L187 VanDerWaalsContact O-N 3.14Å; L185-L187 PolarHBondContact O-N 3.03Å |
| 188 | F | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 37 Ų | 37 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.9 | -34.9 | -178.8 | -75.2 | -66.6 | 0 | 0 | 0 | 113.1 | M141 V146 L147 L169 T170 I184 L185 | M141-F188 HydrophobicContact CE-CE1 3.81Å; M141-F188 HydrophobicContact CE-CZ 4.23Å; M141-F188 HydrophobicContact SD-CE1 3.94Å; V146-F188 WeakPolarHBondContact CA-O 3.41Å; V146-F188 HydrophobicContact CB-CD1 4.34Å; V146-F188 HydrophobicContact CG2-CD1 4.42Å; L147-F188 HydrophobicContact CD1-CD1 4.4Å; L147-F188 HydrophobicContact CD1-CE1 4.28Å; L147-F188 HydrophobicContact CD2-CD1 3.65Å; L147-F188 HydrophobicContact CD2-CE1 3.99Å; L147-F188 HydrophobicContact CD2-CG 4.3Å; L147-F188 HydrophobicContact CG-CD1 3.84Å; L147-F188 HydrophobicContact CG-CE1 4.21Å; L147-F188 PolarHBondContact N-O 3.48Å; L169-F188 HydrophobicContact CB-CD1 4.36Å; L169-F188 HydrophobicContact CB-CE1 3.97Å; L169-F188 HydrophobicContact CB-CE2 4.12Å; L169-F188 HydrophobicContact CB-CZ 3.83Å; L169-F188 HydrophobicContact CD1-CB 4.21Å; L169-F188 HydrophobicContact CD1-CD1 3.77Å; L169-F188 HydrophobicContact CD1-CD2 4.39Å; L169-F188 HydrophobicContact CD1-CE1 4.2Å; L169-F188 HydrophobicContact CD1-CG 3.88Å; L169-F188 HydrophobicContact CD2-CE1 4.48Å; L169-F188 HydrophobicContact CG-CD1 4.5Å; L169-F188 HydrophobicContact CG-CE1 4.46Å; T170-F188 HydrophobicContact CG2-CE2 3.93Å; T170-F188 HydrophobicContact CG2-CZ 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.71Å; I184-F188 WeakPolarHBondContact O-CD2 3.32Å; I184-F188 PolarHBondContact O-N 3.38Å; L185-F188 PolarHBondContact O-N 3.41Å |
| 189 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -131.6 | 78 | -171.5 | -52.2 | -81.1 | 0 | 0 | 0 | 110.2 | V146 W153 F162 L165 V166 L169 L185 A191 I192 | V146-F189 HydrophobicContact CG1-CD1 4.4Å; V146-F189 HydrophobicContact CG1-CE1 3.72Å; V146-F189 HydrophobicContact CG1-CZ 4.08Å; W153-F189 AromaticContact CD1-CD1 3.82Å; W153-F189 AromaticContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CE1 4Å; W153-F189 AromaticContact CE2-CD1 3.43Å; W153-F189 VanDerWaalsContact CE2-CD1 3.43Å; W153-F189 AromaticContact CE2-CE1 3.63Å; W153-F189 HydrophobicContact CE3-CD1 4.31Å; W153-F189 HydrophobicContact CE3-CE1 4.26Å; W153-F189 AromaticContact CG-CD1 3.93Å; W153-F189 HydrophobicContact CG-CD1 3.93Å; W153-F189 HydrophobicContact CH2-CD1 4.47Å; W153-F189 AromaticContact CH2-CE1 3.85Å; W153-F189 HydrophobicContact CH2-CE1 3.85Å; W153-F189 AromaticContact CZ2-CD1 3.88Å; W153-F189 HydrophobicContact CZ2-CD1 3.88Å; W153-F189 AromaticContact CZ2-CE1 3.55Å; W153-F189 HydrophobicContact CZ2-CE1 3.55Å; W153-F189 HydrophobicContact CZ3-CE1 4.19Å; W153-F189 AromaticContact NE1-CD1 3.53Å; F162-F189 HydrophobicContact CD1-CD1 4.4Å; F162-F189 HydrophobicContact CD1-CD2 4.01Å; F162-F189 HydrophobicContact CD1-CE1 4.48Å; F162-F189 HydrophobicContact CD1-CE2 4.1Å; F162-F189 HydrophobicContact CD1-CG 4.17Å; F162-F189 HydrophobicContact CD1-CZ 4.35Å; F162-F189 HydrophobicContact CE1-CB 4.34Å; F162-F189 AromaticContact CE1-CD1 3.84Å; F162-F189 HydrophobicContact CE1-CD1 3.84Å; F162-F189 HydrophobicContact CE1-CD2 4.18Å; F162-F189 HydrophobicContact CE1-CE1 4.15Å; F162-F189 HydrophobicContact CE1-CE2 4.47Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.47Å; L165-F189 HydrophobicContact CB-CE2 4.29Å; L165-F189 HydrophobicContact CB-CZ 3.85Å; L165-F189 HydrophobicContact CD1-CE1 4.11Å; L165-F189 HydrophobicContact CD1-CZ 3.87Å; L165-F189 HydrophobicContact CG-CZ 4.49Å; V166-F189 HydrophobicContact CG2-CE2 4.44Å; L169-F189 HydrophobicContact CD1-CE2 4.01Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å; L185-F189 HydrophobicContact CD1-CD2 3.72Å; L185-F189 HydrophobicContact CD1-CE2 4.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.32Å; L185-F189 PolarHBondContact O-N 3.36Å; F189-A191 PolarHBondContact O-N 2.78Å; F189-I192 HydrophobicContact CB-CD1 3.66Å; F189-I192 HydrophobicContact CB-CG1 3.76Å; F189-I192 HydrophobicContact CG-CD1 4.48Å | ||
| 190 | P | 97.4 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.2 | -30.1 | -173 | -25.8 | 36.2 | 0 | 0 | 0 | 114.2 | ||
| 191 | A | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 36 Ų | 36 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 111 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K152 W153 F189 | K152-A191 HydrophobicContact CG-CB 4.03Å; W153-A191 PolarHBondContact N-O 2.71Å; F189-A191 PolarHBondContact O-N 2.78Å |
| 192 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.1 | 176 | -59.9 | 165.6 | 0 | 0 | 0 | 109.4 | W153 F162 L185 F189 C256 G257 L259 | W153-I192 HydrophobicContact CB-CG1 4.22Å; W153-I192 CarbonylContact O-C 3.58Å; W153-I192 WeakPolarHBondContact O-CA 3.41Å; F162-I192 HydrophobicContact CD1-CD1 4.22Å; F162-I192 HydrophobicContact CD2-CD1 4.36Å; F162-I192 HydrophobicContact CD2-CG2 4.48Å; F162-I192 HydrophobicContact CE1-CD1 3.85Å; F162-I192 HydrophobicContact CE1-CG1 4.11Å; F162-I192 HydrophobicContact CE2-CD1 4Å; F162-I192 HydrophobicContact CE2-CG1 4.24Å; F162-I192 HydrophobicContact CE2-CG2 3.49Å; F162-I192 VanDerWaalsContact CE2-CG2 3.49Å; F162-I192 HydrophobicContact CG-CD1 4.47Å; F162-I192 HydrophobicContact CZ-CB 4.33Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.72Å; F162-I192 HydrophobicContact CZ-CG2 3.66Å; L185-I192 HydrophobicContact CD1-CD1 4.03Å; L185-I192 HydrophobicContact CD2-CD1 3.89Å; L185-I192 HydrophobicContact CG-CD1 3.86Å; F189-I192 HydrophobicContact CB-CD1 3.66Å; F189-I192 HydrophobicContact CB-CG1 3.76Å; F189-I192 HydrophobicContact CG-CD1 4.48Å; I192-C256 CarbonylContact O-C 3.43Å; I192-C256 WeakPolarHBondContact O-CA 3.49Å; I192-G257 PolarHBondContact O-N 3.35Å; I192-L259 HydrophobicContact CG2-CD2 3.87Å |
| 193 | Y | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 106.1 | 168.7 | -53.9 | -81.5 | 0 | 0 | 0 | 110.2 | K152 W153 L154 S155 V195 F238 I250 D252 C256 | K152-Y193 HydrophobicContact CB-CE2 4.3Å; K152-Y193 HydrophobicContact CD-CE2 4.14Å; K152-Y193 HydrophobicContact CG-CE2 4.24Å; W153-Y193 PolarHBondContact O-N 3.4Å; L154-Y193 HydrophobicContact CD2-CD2 3.95Å; S155-Y193 PolarHBondContact N-O 3.43Å; S155-Y193 VanDerWaalsContact N-O 3.13Å; Y193-V195 PolarHBondContact O-N 3.46Å; Y193-F238 HydrophobicContact CD2-CE2 4.35Å; Y193-F238 HydrophobicContact CD2-CZ 4.35Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; Y193-F238 HydrophobicContact CG-CZ 4.47Å; Y193-I250 HydrophobicContact CD1-CG2 3.79Å; Y193-I250 HydrophobicContact CE1-CG2 3.6Å; Y193-D252 PolarHBondContact OH-OD1 3.45Å; Y193-C256 HydrophobicContact CE1-CB 4.13Å |
| 194 | D | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.8 | 174 | -170.2 | -41.3 | 0 | 0 | 0 | 109.7 | H157 S158 K196 Y197 L198 R258 Y260 | H157-D194 PolarHBondContact N-OD1 2.81Å; H157-D194 PolarHBondContact N-OD2 3.43Å; S158-D194 PolarHBondContact N-OD2 2.89Å; S158-D194 PolarHBondContact OG-OD2 3.47Å; D194-K196 PolarHBondContact O-N 2.89Å; D194-K196 VanDerWaalsContact OD1-CB 3.25Å; D194-K196 WeakPolarHBondContact OD1-CB 3.46Å; D194-K196 PolarHBondContact OD1-N 2.86Å; D194-Y197 WeakPolarHBondContact O-CA 3.4Å; D194-Y197 VanDerWaalsContact O-CB 3.29Å; D194-Y197 WeakPolarHBondContact O-CB 3.36Å; D194-Y197 PolarHBondContact O-N 3.46Å; D194-Y197 PolarHBondContact OD1-N 2.86Å; D194-L198 WeakPolarHBondContact O-CD1 3.11Å; D194-L198 PolarHBondContact O-N 3.21Å; D194-R258 VanDerWaalsContact CB-O 3.31Å; D194-R258 WeakPolarHBondContact CB-O 3.44Å; D194-Y260 PolarHBondContact OD2-N 3.33Å; D194-Y260 VanDerWaalsContact OD2-N 3.16Å |
| 195 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.8 | -39.7 | -178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S155 F156 Y193 Y197 L198 M199 T234 F238 M241 | S155-V195 WeakPolarHBondContact O-CB 3.26Å; S155-V195 WeakPolarHBondContact O-CG2 3.28Å; S155-V195 PolarHBondContact O-N 2.89Å; F156-V195 HydrophobicContact CD2-CB 3.83Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.11Å; Y193-V195 PolarHBondContact O-N 3.46Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.45Å; V195-L198 PolarHBondContact O-N 3.18Å; V195-M199 HydrophobicContact CG1-CG 4.43Å; V195-M199 HydrophobicContact CG1-SD 4.25Å; V195-M199 WeakPolarHBondContact O-CG 3.44Å; V195-M199 PolarHBondContact O-N 3.23Å; V195-T234 HydrophobicContact CG2-CG2 4.44Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.89Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.3Å |
| 196 | K | 97.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -33 | 177.8 | -169.8 | 80.8 | -177.5 | -156.2 | 0 | 111.8 | F156 H157 D194 M199 G207 Y260 | F156-K196 HydrophobicContact CD1-CB 4.5Å; F156-K196 HydrophobicContact CD2-CB 4.42Å; F156-K196 HydrophobicContact CE1-CB 4.43Å; F156-K196 HydrophobicContact CE1-CD 3.77Å; F156-K196 HydrophobicContact CE2-CB 4.34Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CG-CB 4.49Å; F156-K196 HydrophobicContact CZ-CB 4.35Å; F156-K196 HydrophobicContact CZ-CD 3.49Å; F156-K196 VanDerWaalsContact CZ-CD 3.49Å; F156-K196 HydrophobicContact CZ-CG 4.5Å; H157-K196 HydrophobicContact CB-CB 4.13Å; H157-K196 HydrophobicContact CB-CG 4.19Å; D194-K196 PolarHBondContact O-N 2.89Å; D194-K196 VanDerWaalsContact OD1-CB 3.25Å; D194-K196 WeakPolarHBondContact OD1-CB 3.46Å; D194-K196 PolarHBondContact OD1-N 2.86Å; K196-M199 HydrophobicContact CD-CE 4.2Å; K196-M199 HydrophobicContact CD-SD 4.14Å; K196-G207 PolarHBondContact NZ-O 3.06Å; K196-Y260 HydrophobicContact CB-CD2 4.14Å; K196-Y260 HydrophobicContact CB-CG 4.15Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.45Å; K196-Y260 VanDerWaalsContact CG-CD2 3.45Å; K196-Y260 HydrophobicContact CG-CE1 4.38Å; K196-Y260 HydrophobicContact CG-CE2 3.79Å; K196-Y260 HydrophobicContact CG-CG 3.6Å |
| 197 | Y | 96.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.2 | -45.8 | 172.7 | -172.9 | -89.2 | 0 | 0 | 0 | 111.7 | D194 V195 M199 K200 Y255 R258 | D194-Y197 WeakPolarHBondContact O-CA 3.4Å; D194-Y197 VanDerWaalsContact O-CB 3.29Å; D194-Y197 WeakPolarHBondContact O-CB 3.36Å; D194-Y197 PolarHBondContact O-N 3.46Å; D194-Y197 PolarHBondContact OD1-N 2.86Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.45Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 2.86Å; Y197-K200 HydrophobicContact CD2-CD 4.48Å; Y197-K200 VanDerWaalsContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CG 3.35Å; Y197-K200 PolarHBondContact O-N 3.4Å; Y197-K200 VanDerWaalsContact O-N 3.1Å; Y197-Y255 HydrophobicContact CD1-CD1 4.08Å; Y197-Y255 HydrophobicContact CE1-CD1 4.04Å; Y197-R258 HydrophobicContact CD1-CB 3.64Å; Y197-R258 HydrophobicContact CD1-CG 4.37Å; Y197-R258 HydrophobicContact CD2-CB 4Å; Y197-R258 HydrophobicContact CE1-CB 3.54Å; Y197-R258 HydrophobicContact CE1-CG 3.81Å; Y197-R258 HydrophobicContact CE2-CB 3.9Å; Y197-R258 HydrophobicContact CG-CB 3.88Å |
| 198 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -38.6 | 177.1 | -83 | 79.5 | 0 | 0 | 0 | 112 | D194 V195 K200 S201 F238 M241 F246 I250 Y255 | D194-L198 WeakPolarHBondContact O-CD1 3.11Å; D194-L198 PolarHBondContact O-N 3.21Å; V195-L198 PolarHBondContact O-N 3.18Å; L198-K200 PolarHBondContact O-N 2.94Å; L198-S201 PolarHBondContact O-N 2.81Å; L198-F238 HydrophobicContact CD2-CE2 4.19Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 VanDerWaalsContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.08Å; L198-M241 HydrophobicContact CD2-CE 3.62Å; L198-M241 HydrophobicContact CG-CE 4.17Å; L198-F246 HydrophobicContact CB-CE2 4.41Å; L198-F246 HydrophobicContact CB-CZ 4.13Å; L198-F246 HydrophobicContact CD2-CE2 4.3Å; L198-F246 HydrophobicContact CD2-CZ 4.27Å; L198-F246 HydrophobicContact CG-CZ 4.39Å; L198-I250 HydrophobicContact CD2-CD1 3.77Å; L198-I250 HydrophobicContact CD2-CG1 4.27Å; L198-I250 HydrophobicContact CD2-CG2 4.39Å; L198-Y255 HydrophobicContact CD1-CD1 4.44Å; L198-Y255 HydrophobicContact CG-CD1 4.02Å; L198-Y255 HydrophobicContact CG-CG 4.25Å |
| 199 | M | 96.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -54.1 | -25.8 | 176.3 | -74.8 | 165 | 58.2 | 0 | 0 | 113.7 | F156 V195 K196 Y197 S201 C202 L205 V212 M241 | F156-M199 HydrophobicContact CE2-SD 3.61Å; F156-M199 HydrophobicContact CZ-SD 4.15Å; V195-M199 HydrophobicContact CG1-CG 4.43Å; V195-M199 HydrophobicContact CG1-SD 4.25Å; V195-M199 WeakPolarHBondContact O-CG 3.44Å; V195-M199 PolarHBondContact O-N 3.23Å; K196-M199 HydrophobicContact CD-CE 4.2Å; K196-M199 HydrophobicContact CD-SD 4.14Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 2.86Å; M199-S201 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact O-N 3.12Å; M199-C202 PolarHBondContact O-N 3.28Å; M199-L205 HydrophobicContact CE-CG 4.27Å; M199-L205 HydrophobicContact CG-CD2 3.75Å; M199-L205 HydrophobicContact CG-CG 4.03Å; M199-V212 HydrophobicContact CE-CG2 3.26Å; M199-V212 HydrophobicContact SD-CG1 4.26Å; M199-V212 HydrophobicContact SD-CG2 3.64Å; M199-M241 HydrophobicContact CG-SD 4.06Å |
| 200 | K | 93.9 | Very high | 95.1 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -59.8 | -23.9 | 174.9 | -66.3 | -177.3 | 174.8 | -179.3 | 0 | 113 | Y197 L198 | Y197-K200 HydrophobicContact CD2-CD 4.48Å; Y197-K200 VanDerWaalsContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.32Å; Y197-K200 WeakPolarHBondContact O-CG 3.35Å; Y197-K200 PolarHBondContact O-N 3.4Å; Y197-K200 VanDerWaalsContact O-N 3.1Å; L198-K200 PolarHBondContact O-N 2.94Å |
| 201 | S | 93.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -95.3 | -4.3 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | L198 M199 Y255 | L198-S201 PolarHBondContact O-N 2.81Å; M199-S201 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact O-N 3.12Å; S201-Y255 WeakPolarHBondContact CB-OH 3.32Å; S201-Y255 PolarHBondContact OG-OH 3.01Å |
| 202 | C | 92.7 | Very high | 95 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -98.6 | 116.2 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | M199 N204 L205 F245 F246 | M199-C202 PolarHBondContact O-N 3.28Å; C202-N204 PolarHBondContact O-N 3.41Å; C202-L205 HydrophobicContact CB-CB 3.86Å; C202-L205 HydrophobicContact CB-CD2 4.19Å; C202-F245 HydrophobicContact CB-CD1 3.88Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.13Å; C202-F245 HydrophobicContact CB-CG 4.02Å; C202-F245 HydrophobicContact CB-CZ 4.49Å; C202-F246 VanDerWaalsContact SG-CE2 3.53Å |
| 203 | K | 88.4 | Confident | 94.9 | Very high | 175 Ų | 175 | 45.5 Ų | 45.5 | 76% | 0.761 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 133.7 | 176.5 | -68.8 | -179 | -177.8 | 173.9 | 0 | 109.5 | L205 | K203-L205 PolarHBondContact O-N 3.42Š|
| 204 | N | 86.8 | Confident | 94.8 | Very high | 148 Ų | 148 | 50 Ų | 50 | 79% | 0.791 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 7.2 | 175.1 | -50 | -34.9 | 0 | 0 | 0 | 116.7 | C202 Q215 | C202-N204 PolarHBondContact O-N 3.41Å; N204-Q215 PolarHBondContact O-OE1 3.4Å; N204-Q215 VanDerWaalsContact O-OE1 3.09Å |
| 205 | L | 91.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | -96.2 | 111.5 | 173.5 | -160.1 | 60.9 | 0 | 0 | 0 | 109.6 | M199 C202 K203 V212 Q215 L216 M241 F245 | M199-L205 HydrophobicContact CE-CG 4.27Å; M199-L205 HydrophobicContact CG-CD2 3.75Å; M199-L205 HydrophobicContact CG-CG 4.03Å; C202-L205 HydrophobicContact CB-CB 3.86Å; C202-L205 HydrophobicContact CB-CD2 4.19Å; K203-L205 PolarHBondContact O-N 3.42Å; L205-V212 HydrophobicContact CD1-CG1 4.12Å; L205-V212 HydrophobicContact CD2-CG1 4.29Å; L205-V212 HydrophobicContact CG-CG1 4.27Å; L205-Q215 HydrophobicContact CD1-CB 3.87Å; L205-L216 HydrophobicContact CD1-CD2 4.2Å; L205-L216 HydrophobicContact CD1-CG 4.2Å; L205-L216 HydrophobicContact CD2-CD2 4.36Å; L205-M241 HydrophobicContact CD2-CG 4.24Å; L205-M241 HydrophobicContact CD2-SD 4.07Å; L205-F245 HydrophobicContact CD2-CE2 4.28Å | ||
| 206 | K | 92.6 | Very high | 94.6 | Very high | 157 Ų | 157 | 54.7 Ų | 54.7 | 68% | 0.683 | 27% | 0.268 | S | S | * | . | trans | -144.3 | 164.6 | -176.8 | -63.4 | -173.8 | -179.2 | -176.1 | 0 | 110.7 | Q215 | K206-Q215 PolarHBondContact O-NE2 3.25Š| ||
| 207 | G | 94.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 103.1 | -177 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K196 E211 | K196-G207 PolarHBondContact NZ-O 3.06Å; G207-E211 WeakPolarHBondContact CA-OE2 2.89Å |
| 208 | G | 95.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -69 | 174 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q210 E211 V212 | G208-Q210 VanDerWaalsContact C-N 3.27Å; G208-Q210 PolarHBondContact O-N 3.06Å; G208-E211 PolarHBondContact N-OE2 3.09Å; G208-E211 PolarHBondContact O-N 3.42Å; G208-V212 VanDerWaalsContact O-CG2 3.3Å; G208-V212 WeakPolarHBondContact O-CG2 3.43Å; G208-V212 PolarHBondContact O-N 3.39Å |
| 209 | L | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | -176.5 | 176.9 | 62.1 | 0 | 0 | 0 | 112 | F156 V212 A213 D230 L233 | F156-L209 HydrophobicContact CB-CD1 4.36Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.43Å; F156-L209 HydrophobicContact CD2-CD1 3.79Å; F156-L209 HydrophobicContact CE1-CB 3.94Å; 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 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; L209-V212 PolarHBondContact O-N 2.93Å; L209-A213 WeakPolarHBondContact O-CB 3.37Å; L209-A213 PolarHBondContact O-N 2.51Å; L209-D230 HydrophobicContact CD2-CB 4.14Å; L209-L233 HydrophobicContact CD1-CG 4.5Å; L209-L233 HydrophobicContact CD2-CB 4.49Å; L209-L233 HydrophobicContact CD2-CD2 4.48Å; L209-L233 HydrophobicContact CG-CD2 4.15Å; L209-L233 HydrophobicContact CG-CG 4.44Å |
| 210 | Q | 96.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 178.4 | -173.2 | 58.5 | 55.1 | 0 | 0 | 112.1 | G208 V212 A213 D214 R220 | G208-Q210 VanDerWaalsContact C-N 3.27Å; G208-Q210 PolarHBondContact O-N 3.06Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.16Å; Q210-A213 WeakPolarHBondContact O-CB 3.42Å; Q210-A213 PolarHBondContact O-N 3.14Å; Q210-D214 PolarHBondContact NE2-OD1 3.39Å; Q210-D214 VanDerWaalsContact O-CG 3.25Å; Q210-D214 PolarHBondContact O-N 2.9Å; Q210-R220 VanDerWaalsContact OE1-CZ 3.31Å |
| 211 | E | 96.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 178.7 | -61.5 | 178 | 142 | 0 | 0 | 111.6 | G207 G208 Q215 | G207-E211 WeakPolarHBondContact CA-OE2 2.89Å; G208-E211 PolarHBondContact N-OE2 3.09Å; G208-E211 PolarHBondContact O-N 3.42Å; E211-Q215 WeakPolarHBondContact O-CG 3.45Å; E211-Q215 PolarHBondContact O-N 3.47Å; E211-Q215 VanDerWaalsContact O-N 3.07Å; E211-Q215 PolarHBondContact O-NE2 3.04Å |
| 212 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | F156 M199 L205 G208 L209 Q210 D214 Q215 L216 | F156-V212 HydrophobicContact CE2-CB 4.46Å; F156-V212 HydrophobicContact CE2-CG2 4.15Å; F156-V212 HydrophobicContact CZ-CG2 4.24Å; M199-V212 HydrophobicContact CE-CG2 3.26Å; M199-V212 HydrophobicContact SD-CG1 4.26Å; M199-V212 HydrophobicContact SD-CG2 3.64Å; L205-V212 HydrophobicContact CD1-CG1 4.12Å; L205-V212 HydrophobicContact CD2-CG1 4.29Å; L205-V212 HydrophobicContact CG-CG1 4.27Å; G208-V212 VanDerWaalsContact O-CG2 3.3Å; G208-V212 WeakPolarHBondContact O-CG2 3.43Å; G208-V212 PolarHBondContact O-N 3.39Å; L209-V212 PolarHBondContact O-N 2.93Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.16Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.35Å; V212-Q215 PolarHBondContact O-N 2.84Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.39Å; V212-L216 WeakPolarHBondContact O-CB 3.42Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.37Å; V212-L216 PolarHBondContact O-N 3.15Å |
| 213 | A | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L209 Q210 Q215 L216 E217 L218 L233 | L209-A213 WeakPolarHBondContact O-CB 3.37Å; L209-A213 PolarHBondContact O-N 2.51Å; Q210-A213 WeakPolarHBondContact O-CB 3.42Å; Q210-A213 PolarHBondContact O-N 3.14Å; A213-Q215 PolarHBondContact O-N 2.79Å; A213-L216 CarbonylContact O-C 3.5Å; A213-L216 PolarHBondContact O-N 2.86Å; A213-E217 PolarHBondContact O-N 2.99Å; A213-L218 HydrophobicContact CB-CB 4.14Å; A213-L218 PolarHBondContact O-N 3.23Å; A213-L233 HydrophobicContact CB-CD1 3.71Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.89Å |
| 214 | D | 96.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 68.5 Ų | 68.5 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.4 | -63.7 | -17.8 | 0 | 0 | 0 | 111.4 | Q210 V212 L216 E217 | Q210-D214 PolarHBondContact NE2-OD1 3.39Å; Q210-D214 VanDerWaalsContact O-CG 3.25Å; Q210-D214 PolarHBondContact O-N 2.9Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.35Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.17Å; D214-E217 PolarHBondContact O-N 3.16Å |
| 215 | Q | 96.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -29.7 | 175.4 | -76.5 | 164.5 | 68.9 | 0 | 0 | 113.5 | N204 L205 K206 E211 V212 A213 E217 | N204-Q215 PolarHBondContact O-OE1 3.4Å; N204-Q215 VanDerWaalsContact O-OE1 3.09Å; L205-Q215 HydrophobicContact CD1-CB 3.87Å; K206-Q215 PolarHBondContact O-NE2 3.25Å; E211-Q215 WeakPolarHBondContact O-CG 3.45Å; E211-Q215 PolarHBondContact O-N 3.47Å; E211-Q215 VanDerWaalsContact O-N 3.07Å; E211-Q215 PolarHBondContact O-NE2 3.04Å; V212-Q215 PolarHBondContact O-N 2.84Å; A213-Q215 PolarHBondContact O-N 2.79Å; Q215-E217 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.5 | 176.9 | -65.3 | 176.3 | 0 | 0 | 0 | 112.9 | L205 V212 A213 D214 L218 A237 R240 M241 L244 F245 | L205-L216 HydrophobicContact CD1-CD2 4.2Å; L205-L216 HydrophobicContact CD1-CG 4.2Å; L205-L216 HydrophobicContact CD2-CD2 4.36Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.39Å; V212-L216 WeakPolarHBondContact O-CB 3.42Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.37Å; V212-L216 PolarHBondContact O-N 3.15Å; A213-L216 CarbonylContact O-C 3.5Å; A213-L216 PolarHBondContact O-N 2.86Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.17Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 HydrophobicContact CB-CD1 3.82Å; L216-L218 HydrophobicContact CB-CG 3.8Å; L216-L218 HydrophobicContact CD1-CD1 4.08Å; L216-L218 PolarHBondContact O-N 3.36Å; L216-A237 HydrophobicContact CD1-CB 4.14Å; L216-R240 HydrophobicContact CB-CG 4.07Å; L216-R240 HydrophobicContact CD2-CG 4.33Å; L216-M241 HydrophobicContact CD1-CB 4.45Å; L216-L244 HydrophobicContact CD2-CD1 4.04Å; L216-F245 HydrophobicContact CD2-CE2 4.09Å |
| 217 | E | 97.3 | Very high | 96 | Very high | 170 Ų | 170 | 55.6 Ų | 55.6 | 79% | 0.794 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 36.5 | -177.8 | -56 | -179.1 | 170.6 | 0 | 0 | 113.3 | A213 D214 Q215 | A213-E217 PolarHBondContact O-N 2.99Å; D214-E217 PolarHBondContact O-N 3.16Å; Q215-E217 VanDerWaalsContact C-N 3.32Å |
| 218 | L | 97.1 | Very high | 96.2 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | trans | -92.5 | 135.9 | -178.5 | -61.5 | 174.7 | 0 | 0 | 0 | 111.5 | A213 L216 L233 M236 A237 R240 | A213-L218 HydrophobicContact CB-CB 4.14Å; A213-L218 PolarHBondContact O-N 3.23Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 HydrophobicContact CB-CD1 3.82Å; L216-L218 HydrophobicContact CB-CG 3.8Å; L216-L218 HydrophobicContact CD1-CD1 4.08Å; L216-L218 PolarHBondContact O-N 3.36Å; L218-L233 HydrophobicContact CB-CD1 4.21Å; L218-M236 HydrophobicContact CD1-CB 3.96Å; L218-M236 HydrophobicContact CD2-CB 4.29Å; L218-A237 VanDerWaalsContact CD1-CA 3.48Å; L218-A237 HydrophobicContact CD1-CB 4.06Å; L218-R240 HydrophobicContact CD1-CB 4.32Å; L218-R240 HydrophobicContact CD2-CB 4.11Å; L218-R240 HydrophobicContact CD2-CG 4.15Å | ||
| 219 | K | 96.8 | Very high | 96.3 | Very high | 182 Ų | 182 | 54.5 Ų | 54.5 | 79% | 0.791 | 26% | 0.262 | S | S | * | . | trans | -98.3 | 115.6 | 177.1 | -173.9 | -179.7 | 177.9 | -176.6 | 0 | 110.6 | ||||
| 220 | R | 96.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | trans | -57.8 | 139.8 | 173.2 | 178.9 | 178.1 | -69.2 | -83.8 | 13.1 | 112.3 | Q210 S229 D230 | Q210-R220 VanDerWaalsContact OE1-CZ 3.31Å; R220-S229 PolarHBondContact NH1-OG 2.83Å; R220-D230 IonicContact CZ-OD1 2.64Å; R220-D230 IonicContact NH1-OD1 2.71Å; R220-D230 PolarHBondContact NH1-OD1 2.99Å; R220-D230 IonicContact NH2-OD1 3.87Å; R220-D230 PolarHBondContact NH2-OD1 3.19Å | ||
| 221 | I | 95.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | trans | -118.4 | 126.9 | 169.5 | -58.4 | 177.4 | 0 | 0 | 0 | 107.9 | I11 S229 L232 M236 | I11-I221 HydrophobicContact CD1-CD1 4.3Å; I11-I221 HydrophobicContact CD1-CG2 4.12Å; I11-I221 HydrophobicContact CG2-CG2 4.35Å; I221-S229 WeakPolarHBondContact O-CB 3.29Å; I221-S229 PolarHBondContact O-OG 3.27Å; I221-L232 HydrophobicContact CB-CD2 3.93Å; I221-L232 HydrophobicContact CD1-CD2 4.48Å; I221-L232 HydrophobicContact CG2-CD2 4.32Å; I221-M236 HydrophobicContact CD1-CE 3.91Å; I221-M236 HydrophobicContact CG1-CE 4.36Å | ||
| 222 | G | 95 | Very high | 96.6 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 92.8 | -172.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 223 | R | 94.1 | Very high | 96.7 | Very high | 150 Ų | 150 | 47.8 Ų | 47.8 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | trans | -87.2 | 136.1 | -176.4 | -67.9 | -178.1 | 177.3 | -179.6 | -0.1 | 110.5 | Q226 S229 | R223-Q226 HydrophobicContact CB-CG 4.02Å; R223-S229 WeakPolarHBondContact O-CB 3.38Å; R223-S229 PolarHBondContact O-OG 2.9Å | ||
| 224 | Q | 93.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 147.7 | 172.5 | -173.8 | 178.2 | 2.6 | 0 | 0 | 110 | Q226 | Q224-Q226 VanDerWaalsContact C-N 3.27Å; Q224-Q226 PolarHBondContact O-N 2.92Å |
| 225 | H | 93.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.125 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 38.4 | -177.8 | -49.1 | -54.1 | 0 | 0 | 0 | 112.6 | E42 L115 S119 D230 H285 | E42-H225 WeakPolarHBondContact OE1-CA 3.29Å; L115-H225 HydrophobicContact CD2-CB 4.03Å; S119-H225 WeakPolarHBondContact OG-CB 3.04Å; H225-D230 PolarHBondContact N-OD1 3.34Å; H225-H285 WeakPolarHBondContact CE1-CB 3.5Å; H225-H285 AromaticContact CE1-CG 3.33Å; H225-H285 AromaticContact CE1-ND1 3.42Å; H225-H285 PolarHBondContact CE1-ND1 3.01Å; H225-H285 AromaticContact ND1-CD2 3.87Å; H225-H285 AromaticContact ND1-CE1 3.41Å; H225-H285 PolarHBondContact ND1-CE1 3.34Å; H225-H285 AromaticContact ND1-CG 3.26Å; H225-H285 VanDerWaalsContact ND1-CG 3.26Å; H225-H285 AromaticContact ND1-ND1 2.95Å; H225-H285 PolarHBondContact ND1-ND1 3.29Å; H225-H285 AromaticContact ND1-NE2 3.96Å |
| 226 | Q | 97.3 | Very high | 97 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -131.6 | 133.9 | 162.4 | -61.2 | -159.6 | 3 | 0 | 0 | 108 | S119 L121 R223 Q224 G228 S229 D230 | S119-Q226 PolarHBondContact O-NE2 2.71Å; L121-Q226 HydrophobicContact CD1-CG 3.79Å; R223-Q226 HydrophobicContact CB-CG 4.02Å; Q224-Q226 VanDerWaalsContact C-N 3.27Å; Q224-Q226 PolarHBondContact O-N 2.92Å; Q226-G228 PolarHBondContact O-N 3.08Å; Q226-G228 VanDerWaalsContact O-N 3.1Å; Q226-S229 PolarHBondContact O-N 3.47Å; Q226-S229 VanDerWaalsContact O-N 3.13Å; Q226-D230 PolarHBondContact O-N 3.35Å |
| 227 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56 | -38.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113 | D40 E42 Q76 G78 S231 | D40-A227 WeakPolarHBondContact O-CB 3.46Å; E42-A227 HydrophobicContact CG-CB 4.14Å; Q76-A227 HydrophobicContact CB-CB 3.66Å; G78-A227 WeakPolarHBondContact CA-O 3.21Å; A227-S231 WeakPolarHBondContact O-CB 3.49Å; A227-S231 PolarHBondContact O-N 3.16Å; A227-S231 PolarHBondContact O-OG 3.46Å |
| 228 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -56.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T94 Q226 D230 S231 L232 | T94-G228 VanDerWaalsContact CG2-O 3.31Å; T94-G228 WeakPolarHBondContact CG2-O 3.31Å; Q226-G228 PolarHBondContact O-N 3.08Å; Q226-G228 VanDerWaalsContact O-N 3.1Å; G228-D230 VanDerWaalsContact C-N 3.35Å; G228-D230 PolarHBondContact O-N 3.47Å; G228-S231 PolarHBondContact O-N 3.16Å; G228-S231 PolarHBondContact O-OG 3.38Å; G228-L232 PolarHBondContact O-N 3.34Å |
| 229 | S | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 179.1 | 162.6 | 0 | 0 | 0 | 0 | 112.6 | R220 I221 R223 Q226 L232 L233 | R220-S229 PolarHBondContact NH1-OG 2.83Å; I221-S229 WeakPolarHBondContact O-CB 3.29Å; I221-S229 PolarHBondContact O-OG 3.27Å; R223-S229 WeakPolarHBondContact O-CB 3.38Å; R223-S229 PolarHBondContact O-OG 2.9Å; Q226-S229 PolarHBondContact O-N 3.47Å; Q226-S229 VanDerWaalsContact O-N 3.13Å; S229-L232 PolarHBondContact O-N 2.98Å; S229-L233 WeakPolarHBondContact O-CB 3.07Å; S229-L233 PolarHBondContact O-N 3.07Å |
| 230 | D | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.9 | -38.4 | 178.3 | -74.7 | 10.3 | 0 | 0 | 0 | 111.4 | D40 L209 R220 H225 Q226 G228 L232 L233 T234 | D40-D230 HydrophobicContact CB-CB 3.97Å; L209-D230 HydrophobicContact CD2-CB 4.14Å; R220-D230 IonicContact CZ-OD1 2.64Å; R220-D230 IonicContact NH1-OD1 2.71Å; R220-D230 PolarHBondContact NH1-OD1 2.99Å; R220-D230 IonicContact NH2-OD1 3.87Å; R220-D230 PolarHBondContact NH2-OD1 3.19Å; H225-D230 PolarHBondContact N-OD1 3.34Å; Q226-D230 PolarHBondContact O-N 3.35Å; G228-D230 VanDerWaalsContact C-N 3.35Å; G228-D230 PolarHBondContact O-N 3.47Å; D230-L232 VanDerWaalsContact C-N 3.35Å; D230-L232 PolarHBondContact O-N 3.38Å; D230-L233 PolarHBondContact O-N 3.17Å; D230-T234 WeakPolarHBondContact O-CB 3.19Å; D230-T234 PolarHBondContact O-N 3.22Å; D230-T234 PolarHBondContact O-OG1 2.9Å |
| 231 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 173.1 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | A38 G78 S80 A227 G228 T234 G235 | A38-S231 WeakPolarHBondContact CB-O 3.34Å; G78-S231 VanDerWaalsContact O-CB 3.32Å; G78-S231 WeakPolarHBondContact O-CB 3.37Å; S80-S231 PolarHBondContact OG-OG 2.9Å; A227-S231 WeakPolarHBondContact O-CB 3.49Å; A227-S231 PolarHBondContact O-N 3.16Å; A227-S231 PolarHBondContact O-OG 3.46Å; G228-S231 PolarHBondContact O-N 3.16Å; G228-S231 PolarHBondContact O-OG 3.38Å; S231-T234 WeakPolarHBondContact O-CB 3.33Å; S231-T234 PolarHBondContact O-N 2.98Å; S231-G235 PolarHBondContact O-N 3.42Å |
| 232 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 178.3 | 179.9 | 56.8 | 0 | 0 | 0 | 110.8 | I11 S80 Y88 I221 G228 S229 D230 T234 G235 M236 | I11-L232 HydrophobicContact CG2-CD2 4.01Å; S80-L232 VanDerWaalsContact OG-CA 3.22Å; S80-L232 WeakPolarHBondContact OG-CA 3.21Å; S80-L232 WeakPolarHBondContact OG-CB 3.09Å; S80-L232 PolarHBondContact OG-N 2.78Å; S80-L232 VanDerWaalsContact OG-N 3.13Å; Y88-L232 HydrophobicContact CD1-CD1 4.37Å; Y88-L232 HydrophobicContact CE1-CD1 3.54Å; I221-L232 HydrophobicContact CB-CD2 3.93Å; I221-L232 HydrophobicContact CD1-CD2 4.48Å; I221-L232 HydrophobicContact CG2-CD2 4.32Å; G228-L232 PolarHBondContact O-N 3.34Å; S229-L232 PolarHBondContact O-N 2.98Å; D230-L232 VanDerWaalsContact C-N 3.35Å; D230-L232 PolarHBondContact O-N 3.38Å; L232-T234 VanDerWaalsContact C-N 3.28Å; L232-T234 PolarHBondContact O-N 2.88Å; L232-G235 PolarHBondContact O-N 3.5Å; L232-M236 HydrophobicContact CD1-CE 3.95Å; L232-M236 HydrophobicContact CD2-CE 4.14Å; L232-M236 HydrophobicContact CG-CE 3.77Å; L232-M236 WeakPolarHBondContact O-CG 3.46Å; L232-M236 PolarHBondContact O-N 3.07Å |
| 233 | L | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 176.5 | -168.5 | 62 | 0 | 0 | 0 | 112.1 | L209 A213 L218 S229 D230 M236 A237 | L209-L233 HydrophobicContact CD1-CG 4.5Å; L209-L233 HydrophobicContact CD2-CB 4.49Å; L209-L233 HydrophobicContact CD2-CD2 4.48Å; L209-L233 HydrophobicContact CG-CD2 4.15Å; L209-L233 HydrophobicContact CG-CG 4.44Å; A213-L233 HydrophobicContact CB-CD1 3.71Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.89Å; L218-L233 HydrophobicContact CB-CD1 4.21Å; S229-L233 WeakPolarHBondContact O-CB 3.07Å; S229-L233 PolarHBondContact O-N 3.07Å; D230-L233 PolarHBondContact O-N 3.17Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 3.44Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.95Å |
| 234 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 173.5 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | A38 F156 V195 D230 S231 L232 A237 F238 | A38-T234 HydrophobicContact CB-CG2 4.38Å; F156-T234 HydrophobicContact CB-CG2 4.18Å; V195-T234 HydrophobicContact CG2-CG2 4.44Å; D230-T234 WeakPolarHBondContact O-CB 3.19Å; D230-T234 PolarHBondContact O-N 3.22Å; D230-T234 PolarHBondContact O-OG1 2.9Å; S231-T234 WeakPolarHBondContact O-CB 3.33Å; S231-T234 PolarHBondContact O-N 2.98Å; L232-T234 VanDerWaalsContact C-N 3.28Å; L232-T234 PolarHBondContact O-N 2.88Å; T234-A237 PolarHBondContact O-N 2.96Å; T234-F238 WeakPolarHBondContact O-CB 3.32Å; T234-F238 PolarHBondContact O-N 3.2Å |
| 235 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S231 L232 A237 F238 F239 | S231-G235 PolarHBondContact O-N 3.42Å; L232-G235 PolarHBondContact O-N 3.5Å; G235-A237 VanDerWaalsContact C-N 3.34Å; G235-A237 PolarHBondContact O-N 3.27Å; G235-F238 PolarHBondContact O-N 3.38Å; G235-F239 WeakPolarHBondContact O-CD2 3.29Å; G235-F239 PolarHBondContact O-N 2.9Å; G235-F239 VanDerWaalsContact O-N 3.11Å |
| 236 | M | 98.5 | Very high | 97.6 | Very high | 31 Ų | 31 | 23 Ų | 23 | 15% | 0.153 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 175.6 | -67.4 | 174.4 | 179 | 0 | 0 | 111.9 | Y88 L218 I221 L232 L233 F238 R240 | Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.47Å; L218-M236 HydrophobicContact CD1-CB 3.96Å; L218-M236 HydrophobicContact CD2-CB 4.29Å; I221-M236 HydrophobicContact CD1-CE 3.91Å; I221-M236 HydrophobicContact CG1-CE 4.36Å; L232-M236 HydrophobicContact CD1-CE 3.95Å; L232-M236 HydrophobicContact CD2-CE 4.14Å; L232-M236 HydrophobicContact CG-CE 3.77Å; L232-M236 WeakPolarHBondContact O-CG 3.46Å; L232-M236 PolarHBondContact O-N 3.07Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 3.44Å; M236-F238 PolarHBondContact O-N 2.98Å; M236-R240 VanDerWaalsContact O-CB 3.28Å; M236-R240 WeakPolarHBondContact O-CB 3.25Å; M236-R240 PolarHBondContact O-N 2.9Å |
| 237 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L216 L218 L233 T234 G235 M241 | L216-A237 HydrophobicContact CD1-CB 4.14Å; L218-A237 VanDerWaalsContact CD1-CA 3.48Å; L218-A237 HydrophobicContact CD1-CB 4.06Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.95Å; T234-A237 PolarHBondContact O-N 2.96Å; G235-A237 VanDerWaalsContact C-N 3.34Å; G235-A237 PolarHBondContact O-N 3.27Å; A237-M241 WeakPolarHBondContact O-CB 3.33Å; A237-M241 PolarHBondContact O-N 3.05Å |
| 238 | F | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -55.1 | 177.4 | 175.3 | -95.2 | 0 | 0 | 0 | 112.3 | F36 L154 Y193 V195 L198 T234 G235 M236 R240 M241 K242 I250 | F36-F238 HydrophobicContact CD1-CE1 4.21Å; F36-F238 HydrophobicContact CE1-CE1 4.02Å; F36-F238 HydrophobicContact CE1-CZ 4.38Å; L154-F238 HydrophobicContact CD1-CB 3.97Å; L154-F238 HydrophobicContact CD1-CD1 3.44Å; L154-F238 VanDerWaalsContact CD1-CD1 3.44Å; L154-F238 HydrophobicContact CD1-CD2 4.48Å; L154-F238 HydrophobicContact CD1-CE1 3.98Å; L154-F238 HydrophobicContact CD1-CG 3.72Å; L154-F238 HydrophobicContact CD2-CD1 3.75Å; L154-F238 HydrophobicContact CD2-CD2 3.7Å; L154-F238 HydrophobicContact CD2-CE1 3.62Å; L154-F238 HydrophobicContact CD2-CE2 3.55Å; L154-F238 HydrophobicContact CD2-CG 3.77Å; L154-F238 HydrophobicContact CD2-CZ 3.5Å; L154-F238 VanDerWaalsContact CD2-CZ 3.5Å; L154-F238 HydrophobicContact CG-CD1 4.19Å; L154-F238 HydrophobicContact CG-CE1 4.44Å; L154-F238 HydrophobicContact CG-CG 4.21Å; Y193-F238 HydrophobicContact CD2-CE2 4.35Å; Y193-F238 HydrophobicContact CD2-CZ 4.35Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; Y193-F238 HydrophobicContact CG-CZ 4.47Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; L198-F238 HydrophobicContact CD2-CE2 4.19Å; T234-F238 WeakPolarHBondContact O-CB 3.32Å; T234-F238 PolarHBondContact O-N 3.2Å; G235-F238 PolarHBondContact O-N 3.38Å; M236-F238 PolarHBondContact O-N 2.98Å; F238-R240 PolarHBondContact O-N 3.13Å; F238-M241 PolarHBondContact O-N 3.31Å; F238-K242 HydrophobicContact CE1-CD 4.22Å; F238-K242 VanDerWaalsContact O-CB 3.29Å; F238-K242 WeakPolarHBondContact O-CB 2.86Å; F238-K242 PolarHBondContact O-N 3.43Å; F238-I250 HydrophobicContact CD2-CD1 4.36Å; F238-I250 HydrophobicContact CE1-CD1 4.24Å; F238-I250 HydrophobicContact CE2-CD1 3.3Å; F238-I250 HydrophobicContact CZ-CD1 3.24Å |
| 239 | F | 98.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | -176.5 | -81.5 | -76.5 | 0 | 0 | 0 | 112 | F36 M82 N83 E84 L154 G235 M241 K242 E243 | F36-F239 HydrophobicContact CB-CE2 4.43Å; F36-F239 HydrophobicContact CB-CZ 4.24Å; F36-F239 HydrophobicContact CD1-CE2 4.4Å; F36-F239 AromaticContact CD1-CZ 3.81Å; F36-F239 HydrophobicContact CD1-CZ 3.81Å; F36-F239 HydrophobicContact CE1-CZ 4.24Å; F36-F239 AromaticContact CG-CZ 3.98Å; F36-F239 HydrophobicContact CG-CZ 3.98Å; M82-F239 HydrophobicContact CB-CE2 3.81Å; M82-F239 HydrophobicContact CB-CZ 4.32Å; M82-F239 HydrophobicContact CE-CE2 4.19Å; M82-F239 HydrophobicContact CG-CE2 4.17Å; M82-F239 HydrophobicContact SD-CD2 3.7Å; M82-F239 HydrophobicContact SD-CE2 3.54Å; M82-F239 VanDerWaalsContact SD-CE2 3.54Å; N83-F239 VanDerWaalsContact O-CZ 3.22Å; N83-F239 WeakPolarHBondContact O-CZ 3.26Å; E84-F239 WeakPolarHBondContact O-CE1 3.44Å; L154-F239 HydrophobicContact CD1-CE2 4Å; G235-F239 WeakPolarHBondContact O-CD2 3.29Å; G235-F239 PolarHBondContact O-N 2.9Å; G235-F239 VanDerWaalsContact O-N 3.11Å; F239-M241 PolarHBondContact O-N 3.19Å; F239-K242 HydrophobicContact CD1-CD 4.47Å; F239-K242 PolarHBondContact O-N 2.86Å; F239-E243 PolarHBondContact O-N 3.35Å; F239-E243 VanDerWaalsContact O-N 3.08Å |
| 240 | R | 97.7 | Very high | 96.8 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.9 | -173.6 | 55.9 | 172.5 | 160.5 | 2.6 | 112.5 | L216 L218 M236 F238 E243 L244 | L216-R240 HydrophobicContact CB-CG 4.07Å; L216-R240 HydrophobicContact CD2-CG 4.33Å; L218-R240 HydrophobicContact CD1-CB 4.32Å; L218-R240 HydrophobicContact CD2-CB 4.11Å; L218-R240 HydrophobicContact CD2-CG 4.15Å; M236-R240 VanDerWaalsContact O-CB 3.28Å; M236-R240 WeakPolarHBondContact O-CB 3.25Å; M236-R240 PolarHBondContact O-N 2.9Å; F238-R240 PolarHBondContact O-N 3.13Å; R240-E243 IonicContact CZ-OE2 3.81Å; R240-E243 IonicContact NH1-OE1 3.16Å; R240-E243 PolarHBondContact NH1-OE1 2.84Å; R240-E243 VanDerWaalsContact NH1-OE1 3.16Å; R240-E243 IonicContact NH1-OE2 2.71Å; R240-E243 PolarHBondContact NH1-OE2 3.38Å; R240-L244 HydrophobicContact CG-CD1 4.14Å; R240-L244 WeakPolarHBondContact O-CG 3.3Å; R240-L244 PolarHBondContact O-N 2.65Å; R240-L244 VanDerWaalsContact O-N 3.16Å |
| 241 | M | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 176.4 | -179.8 | -176 | 61 | 0 | 0 | 111.5 | V195 L198 M199 L205 L216 A237 F238 F239 E243 L244 F245 F246 | V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.89Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.3Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 VanDerWaalsContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.08Å; L198-M241 HydrophobicContact CD2-CE 3.62Å; L198-M241 HydrophobicContact CG-CE 4.17Å; M199-M241 HydrophobicContact CG-SD 4.06Å; L205-M241 HydrophobicContact CD2-CG 4.24Å; L205-M241 HydrophobicContact CD2-SD 4.07Å; L216-M241 HydrophobicContact CD1-CB 4.45Å; A237-M241 WeakPolarHBondContact O-CB 3.33Å; A237-M241 PolarHBondContact O-N 3.05Å; F238-M241 PolarHBondContact O-N 3.31Å; F239-M241 PolarHBondContact O-N 3.19Å; M241-E243 VanDerWaalsContact C-N 3.33Å; M241-E243 PolarHBondContact O-N 2.94Å; M241-L244 PolarHBondContact O-N 2.95Å; M241-F245 HydrophobicContact CB-CD2 4.49Å; M241-F245 HydrophobicContact CG-CD2 3.89Å; M241-F245 PolarHBondContact O-N 2.98Å; M241-F246 HydrophobicContact CE-CE2 4.34Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.19Å |
| 242 | K | 96.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 176.3 | 179.1 | -172.4 | 166.7 | -165.1 | 0 | 111.1 | F238 F239 F246 E247 D248 I250 | F238-K242 HydrophobicContact CE1-CD 4.22Å; F238-K242 VanDerWaalsContact O-CB 3.29Å; F238-K242 WeakPolarHBondContact O-CB 2.86Å; F238-K242 PolarHBondContact O-N 3.43Å; F239-K242 HydrophobicContact CD1-CD 4.47Å; F239-K242 PolarHBondContact O-N 2.86Å; K242-F246 CarbonylContact O-C 3.56Å; K242-F246 WeakPolarHBondContact O-CA 3.39Å; K242-F246 WeakPolarHBondContact O-CB 3.29Å; K242-F246 PolarHBondContact O-N 3.13Å; K242-F246 VanDerWaalsContact O-N 3.15Å; K242-E247 PolarHBondContact O-N 2.98Å; K242-D248 WeakPolarHBondContact CE-O 3.44Å; K242-D248 PolarHBondContact O-N 3.24Å; K242-I250 HydrophobicContact CB-CD1 4.25Å; K242-I250 HydrophobicContact CD-CD1 4.29Å; K242-I250 HydrophobicContact CG-CD1 4.04Å; K242-I250 HydrophobicContact CG-CG1 4.25Å |
| 243 | E | 95.8 | Very high | 96.3 | Very high | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 175.6 | -175.5 | -165 | 166.7 | 0 | 0 | 111.7 | F239 R240 M241 D248 | F239-E243 PolarHBondContact O-N 3.35Å; F239-E243 VanDerWaalsContact O-N 3.08Å; R240-E243 IonicContact CZ-OE2 3.81Å; R240-E243 IonicContact NH1-OE1 3.16Å; R240-E243 PolarHBondContact NH1-OE1 2.84Å; R240-E243 VanDerWaalsContact NH1-OE1 3.16Å; R240-E243 IonicContact NH1-OE2 2.71Å; R240-E243 PolarHBondContact NH1-OE2 3.38Å; M241-E243 VanDerWaalsContact C-N 3.33Å; M241-E243 PolarHBondContact O-N 2.94Å; E243-D248 WeakPolarHBondContact CA-OD1 3.26Å |
| 244 | L | 95.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 58.8 Ų | 58.8 | 45% | 0.45 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.6 | -33 | -169.7 | -69.5 | 177.4 | 0 | 0 | 0 | 114.8 | L216 R240 M241 | L216-L244 HydrophobicContact CD2-CD1 4.04Å; R240-L244 HydrophobicContact CG-CD1 4.14Å; R240-L244 WeakPolarHBondContact O-CG 3.3Å; R240-L244 PolarHBondContact O-N 2.65Å; R240-L244 VanDerWaalsContact O-N 3.16Å; M241-L244 PolarHBondContact O-N 2.95Å |
| 245 | F | 95.6 | Very high | 96 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -119.1 | -13.5 | -168.8 | -62.1 | -83.8 | 0 | 0 | 0 | 114.1 | C202 L205 L216 M241 | C202-F245 HydrophobicContact CB-CD1 3.88Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.13Å; C202-F245 HydrophobicContact CB-CG 4.02Å; C202-F245 HydrophobicContact CB-CZ 4.49Å; L205-F245 HydrophobicContact CD2-CE2 4.28Å; L216-F245 HydrophobicContact CD2-CE2 4.09Å; M241-F245 HydrophobicContact CB-CD2 4.49Å; M241-F245 HydrophobicContact CG-CD2 3.89Å; M241-F245 PolarHBondContact O-N 2.98Å |
| 246 | F | 94.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 61 Ų | 61 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -126.7 | 9.6 | -172.1 | -63.4 | -86.2 | 0 | 0 | 0 | 113.8 | L198 C202 M241 K242 D248 N249 I250 Y255 | L198-F246 HydrophobicContact CB-CE2 4.41Å; L198-F246 HydrophobicContact CB-CZ 4.13Å; L198-F246 HydrophobicContact CD2-CE2 4.3Å; L198-F246 HydrophobicContact CD2-CZ 4.27Å; L198-F246 HydrophobicContact CG-CZ 4.39Å; C202-F246 VanDerWaalsContact SG-CE2 3.53Å; M241-F246 HydrophobicContact CE-CE2 4.34Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.19Å; K242-F246 CarbonylContact O-C 3.56Å; K242-F246 WeakPolarHBondContact O-CA 3.39Å; K242-F246 WeakPolarHBondContact O-CB 3.29Å; K242-F246 PolarHBondContact O-N 3.13Å; K242-F246 VanDerWaalsContact O-N 3.15Å; F246-D248 PolarHBondContact O-N 3.09Å; F246-N249 CarbonylContact O-C 3.55Å; F246-N249 PolarHBondContact O-N 3.18Å; F246-I250 HydrophobicContact CB-CG1 4.28Å; F246-I250 HydrophobicContact CD1-CG1 4.48Å; F246-I250 HydrophobicContact CG-CG1 4.28Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.4Å; F246-Y255 AromaticContact CE1-CE2 3.74Å; F246-Y255 HydrophobicContact CE1-CE2 3.74Å; F246-Y255 AromaticContact CE1-CZ 3.67Å |
| 247 | E | 93.8 | Very high | 95.8 | Very high | 181 Ų | 181 | 60 Ų | 60 | 85% | 0.846 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.9 | 177.9 | -57.9 | 177.2 | -167.5 | 0 | 0 | 112.1 | K242 N249 | K242-E247 PolarHBondContact O-N 2.98Å; E247-N249 PolarHBondContact O-N 3.43Å; E247-N249 VanDerWaalsContact O-N 3.14Å |
| 248 | D | 92.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 15.8 | -176.4 | -64.9 | -52.7 | 0 | 0 | 0 | 115.8 | K242 E243 F246 | K242-D248 WeakPolarHBondContact CE-O 3.44Å; K242-D248 PolarHBondContact O-N 3.24Å; E243-D248 WeakPolarHBondContact CA-OD1 3.26Å; F246-D248 PolarHBondContact O-N 3.09Å |
| 249 | N | 92.7 | Very high | 95.5 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 66% | 0.658 | 32% | 0.318 | S | S | * | . | trans | -138.4 | 119 | -177.6 | -171.9 | 20.5 | 0 | 0 | 0 | 113.3 | F246 E247 | F246-N249 CarbonylContact O-C 3.55Å; F246-N249 PolarHBondContact O-N 3.18Å; E247-N249 PolarHBondContact O-N 3.43Å; E247-N249 VanDerWaalsContact O-N 3.14Å | ||
| 250 | I | 95.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | -101.8 | 127.9 | 178 | -68.4 | 165.6 | 0 | 0 | 0 | 109.4 | Y193 L198 F238 K242 F246 D252 Y255 | Y193-I250 HydrophobicContact CD1-CG2 3.79Å; Y193-I250 HydrophobicContact CE1-CG2 3.6Å; L198-I250 HydrophobicContact CD2-CD1 3.77Å; L198-I250 HydrophobicContact CD2-CG1 4.27Å; L198-I250 HydrophobicContact CD2-CG2 4.39Å; F238-I250 HydrophobicContact CD2-CD1 4.36Å; F238-I250 HydrophobicContact CE1-CD1 4.24Å; F238-I250 HydrophobicContact CE2-CD1 3.3Å; F238-I250 HydrophobicContact CZ-CD1 3.24Å; K242-I250 HydrophobicContact CB-CD1 4.25Å; K242-I250 HydrophobicContact CD-CD1 4.29Å; K242-I250 HydrophobicContact CG-CD1 4.04Å; K242-I250 HydrophobicContact CG-CG1 4.25Å; F246-I250 HydrophobicContact CB-CG1 4.28Å; F246-I250 HydrophobicContact CD1-CG1 4.48Å; F246-I250 HydrophobicContact CG-CG1 4.28Å; I250-D252 PolarHBondContact O-N 2.77Å; I250-Y255 HydrophobicContact CG2-CD2 3.82Å; I250-Y255 HydrophobicContact CG2-CG 4.22Å | ||
| 251 | D | 95.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | -74.9 | 104.8 | 176.1 | 177.7 | 8 | 0 | 0 | 0 | 111.5 | A253 K254 Y255 | D251-A253 VanDerWaalsContact C-N 3.28Å; D251-A253 PolarHBondContact O-N 3.09Å; D251-A253 WeakPolarHBondContact OD1-CB 3.47Å; D251-A253 PolarHBondContact OD1-N 3.41Å; D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.12Å; D251-K254 VanDerWaalsContact O-N 3.09Å; D251-K254 WeakPolarHBondContact OD2-CB 3.49Å; D251-Y255 HydrophobicContact CB-CD2 4.25Å; D251-Y255 HydrophobicContact CB-CE2 4.34Å; D251-Y255 VanDerWaalsContact O-CD2 3.26Å; D251-Y255 WeakPolarHBondContact O-CD2 3.49Å; D251-Y255 PolarHBondContact O-N 3.43Å | ||
| 252 | D | 95.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 43% | 0.428 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.8 | -39.7 | 179.4 | -73 | -6.4 | 0 | 0 | 0 | 112.8 | Y193 I250 K254 Y255 C256 | Y193-D252 PolarHBondContact OH-OD1 3.45Å; I250-D252 PolarHBondContact O-N 2.77Å; D252-K254 PolarHBondContact O-N 3.17Å; D252-K254 VanDerWaalsContact O-N 3.13Å; D252-Y255 PolarHBondContact O-N 3.33Å; D252-C256 HydrophobicContact CB-CB 4.09Å; D252-C256 WeakPolarHBondContact O-CB 3.35Å; D252-C256 PolarHBondContact O-N 3.37Å |
| 253 | A | 94.2 | Very high | 93.5 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 74% | 0.736 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.2 | -25.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D251 | D251-A253 VanDerWaalsContact C-N 3.28Å; D251-A253 PolarHBondContact O-N 3.09Å; D251-A253 WeakPolarHBondContact OD1-CB 3.47Å; D251-A253 PolarHBondContact OD1-N 3.41Å |
| 254 | K | 94.8 | Very high | 91.9 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -95.2 | -39 | -178.6 | -172.9 | 172.6 | 176 | -166 | 0 | 113.1 | D251 D252 | D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.12Å; D251-K254 VanDerWaalsContact O-N 3.09Å; D251-K254 WeakPolarHBondContact OD2-CB 3.49Å; D252-K254 PolarHBondContact O-N 3.17Å; D252-K254 VanDerWaalsContact O-N 3.13Å |
| 255 | Y | 96.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -114.2 | -26.5 | -166.4 | -59.9 | -68.6 | 0 | 0 | 0 | 114.8 | Y197 L198 S201 F246 I250 D251 D252 G257 R258 | Y197-Y255 HydrophobicContact CD1-CD1 4.08Å; Y197-Y255 HydrophobicContact CE1-CD1 4.04Å; L198-Y255 HydrophobicContact CD1-CD1 4.44Å; L198-Y255 HydrophobicContact CG-CD1 4.02Å; L198-Y255 HydrophobicContact CG-CG 4.25Å; S201-Y255 WeakPolarHBondContact CB-OH 3.32Å; S201-Y255 PolarHBondContact OG-OH 3.01Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.4Å; F246-Y255 AromaticContact CE1-CE2 3.74Å; F246-Y255 HydrophobicContact CE1-CE2 3.74Å; F246-Y255 AromaticContact CE1-CZ 3.67Å; I250-Y255 HydrophobicContact CG2-CD2 3.82Å; I250-Y255 HydrophobicContact CG2-CG 4.22Å; D251-Y255 HydrophobicContact CB-CD2 4.25Å; D251-Y255 HydrophobicContact CB-CE2 4.34Å; D251-Y255 VanDerWaalsContact O-CD2 3.26Å; D251-Y255 WeakPolarHBondContact O-CD2 3.49Å; D251-Y255 PolarHBondContact O-N 3.43Å; D252-Y255 PolarHBondContact O-N 3.33Å; Y255-G257 PolarHBondContact O-N 2.89Å; Y255-R258 PolarHBondContact O-N 3.41Å |
| 256 | C | 97.1 | Very high | 87.1 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 133.1 | -175.7 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | I192 Y193 D252 R258 | I192-C256 CarbonylContact O-C 3.43Å; I192-C256 WeakPolarHBondContact O-CA 3.49Å; Y193-C256 HydrophobicContact CE1-CB 4.13Å; D252-C256 HydrophobicContact CB-CB 4.09Å; D252-C256 WeakPolarHBondContact O-CB 3.35Å; D252-C256 PolarHBondContact O-N 3.37Å; C256-R258 VanDerWaalsContact C-N 3.26Å; C256-R258 PolarHBondContact O-N 2.94Å |
| 257 | G | 95.9 | Very high | 84.2 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I192 Y255 | I192-G257 PolarHBondContact O-N 3.35Å; Y255-G257 PolarHBondContact O-N 2.89Å |
| 258 | R | 95.2 | Very high | 81.3 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 17% | 0.17 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 112.6 | 179.5 | -57.2 | -58 | -174.3 | 172.2 | 0.2 | 110.6 | D194 Y197 Y255 C256 S266 T267 | D194-R258 VanDerWaalsContact CB-O 3.31Å; D194-R258 WeakPolarHBondContact CB-O 3.44Å; Y197-R258 HydrophobicContact CD1-CB 3.64Å; Y197-R258 HydrophobicContact CD1-CG 4.37Å; Y197-R258 HydrophobicContact CD2-CB 4Å; Y197-R258 HydrophobicContact CE1-CB 3.54Å; Y197-R258 HydrophobicContact CE1-CG 3.81Å; Y197-R258 HydrophobicContact CE2-CB 3.9Å; Y197-R258 HydrophobicContact CG-CB 3.88Å; Y255-R258 PolarHBondContact O-N 3.41Å; C256-R258 VanDerWaalsContact C-N 3.26Å; C256-R258 PolarHBondContact O-N 2.94Å; R258-S266 PolarHBondContact NH1-OG 3.09Å; R258-T267 PolarHBondContact NH2-OG1 3.33Å |
| 259 | L | 95.9 | Very high | 78.5 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | trans | -91.8 | 139.2 | 174.2 | -56.4 | -175.1 | 0 | 0 | 0 | 110.4 | S158 F162 F181 F182 L185 I192 G261 L262 | S158-L259 WeakPolarHBondContact OG-CD2 3.48Å; F162-L259 HydrophobicContact CD2-CD1 4.39Å; F162-L259 HydrophobicContact CD2-CD2 3.7Å; F162-L259 HydrophobicContact CE2-CD2 3.95Å; F181-L259 HydrophobicContact CE1-CD1 4.29Å; F182-L259 HydrophobicContact CE1-CD1 4.1Å; F182-L259 HydrophobicContact CE1-CG 4.08Å; F182-L259 HydrophobicContact CZ-CB 4.44Å; F182-L259 HydrophobicContact CZ-CD1 4.14Å; F182-L259 HydrophobicContact CZ-CG 4.28Å; L185-L259 HydrophobicContact CD2-CD1 3.79Å; L185-L259 HydrophobicContact CD2-CG 4.39Å; I192-L259 HydrophobicContact CG2-CD2 3.87Å; L259-G261 PolarHBondContact O-N 3.05Å; L259-L262 HydrophobicContact CB-CB 4.28Å; L259-L262 HydrophobicContact CD1-CD1 4.28Å; L259-L262 PolarHBondContact O-N 3.1Å | ||
| 260 | Y | 94.2 | Very high | 75.6 | Confident | 42 Ų | 42 | 70 Ų | 70 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 130 | 175.5 | -174.8 | -87.8 | 0 | 0 | 0 | 110.6 | H157 D194 K196 L262 E280 | H157-Y260 AromaticContact CD2-CD1 3.46Å; H157-Y260 VanDerWaalsContact CD2-CD1 3.46Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.39Å; H157-Y260 AromaticContact NE2-CD1 3.49Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.13Å; H157-Y260 AromaticContact NE2-CE1 3.87Å; D194-Y260 PolarHBondContact OD2-N 3.33Å; D194-Y260 VanDerWaalsContact OD2-N 3.16Å; K196-Y260 HydrophobicContact CB-CD2 4.14Å; K196-Y260 HydrophobicContact CB-CG 4.15Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.45Å; K196-Y260 VanDerWaalsContact CG-CD2 3.45Å; K196-Y260 HydrophobicContact CG-CE1 4.38Å; K196-Y260 HydrophobicContact CG-CE2 3.79Å; K196-Y260 HydrophobicContact CG-CG 3.6Å; Y260-L262 VanDerWaalsContact C-N 3.32Å; Y260-L262 PolarHBondContact O-N 2.92Å; Y260-E280 PolarHBondContact OH-OE2 3.4Å |
| 261 | G | 90.1 | Very high | 72.4 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -6.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L259 | L259-G261 PolarHBondContact O-N 3.05Š|
| 262 | L | 88.9 | Confident | 69.2 | Low | 11 Ų | 11 | 76.7 Ų | 76.7 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -130.3 | 165.3 | -177.6 | -59.9 | 174.9 | 0 | 0 | 0 | 111.8 | Q61 L65 E178 F182 L259 Y260 S264 | Q61-L262 HydrophobicContact CB-CD2 4.23Å; L65-L262 HydrophobicContact CD1-CD1 3.71Å; E178-L262 WeakPolarHBondContact OE1-CA 3.49Å; E178-L262 WeakPolarHBondContact OE1-CB 3.39Å; F182-L262 HydrophobicContact CE2-CB 4.06Å; F182-L262 HydrophobicContact CZ-CB 3.84Å; L259-L262 HydrophobicContact CB-CB 4.28Å; L259-L262 HydrophobicContact CD1-CD1 4.28Å; L259-L262 PolarHBondContact O-N 3.1Å; Y260-L262 VanDerWaalsContact C-N 3.32Å; Y260-L262 PolarHBondContact O-N 2.92Å; L262-S264 PolarHBondContact O-N 3.37Å |
| 263 | G | 74.1 | Confident | 66.1 | Low | 12 Ų | 12 | 81.2 Ų | 81.2 | 12% | 0.124 | 49% | 0.488 | C | S | . | . | trans | 75.4 | 22.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E178 G265 | E178-G263 PolarHBondContact OE1-N 2.97Å; G263-G265 PolarHBondContact O-N 2.67Å | ||
| 264 | S | 62.9 | Low | 62.9 | Low | 83 Ų | 83 | 82 Ų | 82 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -72.7 | -2.5 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 114.4 | L262 | L262-S264 PolarHBondContact O-N 3.37Š|
| 265 | G | 49 | Very low | 59.7 | Low | 81 Ų | 81 | 82.6 Ų | 82.6 | 84% | 0.835 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -83.4 | -3.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | G263 | G263-G265 PolarHBondContact O-N 2.67Š|
| 266 | S | 40.4 | Very low | 56.4 | Low | 84 Ų | 84 | 86.8 Ų | 86.8 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -115.4 | 10.5 | -167.3 | 54.5 | 0 | 0 | 0 | 0 | 117.4 | R258 | R258-S266 PolarHBondContact NH1-OG 3.09Š|
| 267 | T | 34.8 | Very low | 53.2 | Low | 99 Ų | 99 | 91 Ų | 91 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -149.7 | 107.2 | 170.2 | 30.3 | 0 | 0 | 0 | 0 | 113.7 | R258 | R258-T267 PolarHBondContact NH2-OG1 3.33Š|
| 268 | Q | 32.4 | Very low | 50 | Low | 195 Ų | 195 | 98.6 Ų | 98.6 | 91% | 0.911 | 60% | 0.597 | S | S | * | * | trans | 31.2 | 125.8 | 153.6 | -69.1 | -176.9 | -9 | 0 | 0 | 121.7 | Q270 | Q268-Q270 PolarHBondContact O-N 2.8Š| ||
| 269 | N | 32.7 | Very low | 47 | Very low | 163 Ų | 163 | 105.8 Ų | 105.8 | 87% | 0.872 | 63% | 0.633 | S | S | * | * | trans | -22.3 | 110.5 | 155.1 | -77.4 | -23.3 | 0 | 0 | 0 | 114.9 | ||||
| 270 | Q | 32.1 | Very low | 44 | Very low | 193 Ų | 193 | 112.4 Ų | 112.4 | 90% | 0.902 | 66% | 0.664 | S | S | * | * | trans | -133.5 | 123 | 141.3 | -75 | -165.5 | 9 | 0 | 0 | 109.9 | Q268 | Q268-Q270 PolarHBondContact O-N 2.8Š| ||
| 271 | N | 29.7 | Very low | 41.2 | Very low | 174 Ų | 174 | 115 Ų | 115 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | trans | -58.9 | 130.8 | 176.2 | -74.5 | -37.3 | 0 | 0 | 0 | 111.2 | ||||
| 272 | G | 26.6 | Very low | 39 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | trans | 179.6 | 73.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S274 | G272-S274 PolarHBondContact O-N 3.3Š| ||
| 273 | I | 30.6 | Very low | 36.7 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 90% | 0.903 | 71% | 0.707 | S | S | * | * | trans | -59.6 | 109.1 | 170.2 | -64.7 | 168.2 | 0 | 0 | 0 | 107.2 | ||||
| 274 | S | 26.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -121.1 | 107.9 | 158.4 | 50.9 | 0 | 0 | 0 | 0 | 107.2 | G272 S276 | G272-S274 PolarHBondContact O-N 3.3Å; S274-S276 PolarHBondContact O-N 2.94Å | ||
| 275 | S | 29.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -70.4 | 110 | 170.1 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 276 | S | 25.8 | Very low | 34.2 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -132.7 | 87.4 | 162.6 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | S274 Q278 | S274-S276 PolarHBondContact O-N 2.94Å; S276-Q278 PolarHBondContact O-N 2.79Å | ||
| 277 | S | 30.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | -66.2 | 100.2 | 155 | 42.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 278 | Q | 27.6 | Very low | 33.8 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -145.7 | 126.5 | 160.8 | -100.7 | 175.4 | -5.7 | 0 | 0 | 108.1 | S276 E280 | S276-Q278 PolarHBondContact O-N 2.79Å; Q278-E280 VanDerWaalsContact C-N 3.29Å; Q278-E280 PolarHBondContact O-N 3.33Å | ||
| 279 | E | 33 | Very low | 33.9 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 92% | 0.916 | 68% | 0.683 | S | S | * | * | trans | -58.7 | 91.8 | 163.2 | -71 | 170.6 | 132.7 | 0 | 0 | 108.1 | T281 | E279-T281 PolarHBondContact O-N 3.34Š| ||
| 280 | E | 32.4 | Very low | 33.9 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 66% | 0.659 | 67% | 0.671 | S | S | * | * | trans | -77.2 | 102.5 | 154.7 | -83.7 | -173.6 | 162.6 | 0 | 0 | 105.7 | Y260 Q278 | Y260-E280 PolarHBondContact OH-OE2 3.4Å; Q278-E280 VanDerWaalsContact C-N 3.29Å; Q278-E280 PolarHBondContact O-N 3.33Å | ||
| 281 | T | 36.4 | Very low | 34.1 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | trans | -45.9 | 142.3 | 158 | 36.3 | 0 | 0 | 0 | 0 | 108.5 | E279 N283 | E279-T281 PolarHBondContact O-N 3.34Å; T281-N283 VanDerWaalsContact CB-OD1 3.29Å; T281-N283 WeakPolarHBondContact CB-OD1 3.42Å; T281-N283 PolarHBondContact O-N 2.91Å; T281-N283 PolarHBondContact OG1-OD1 3.12Å; T281-N283 VanDerWaalsContact OG1-OD1 3.13Å | ||
| 282 | N | 44.1 | Very low | 34.4 | Very low | 72 Ų | 72 | 109.9 Ų | 109.9 | 39% | 0.385 | 64% | 0.636 | S | S | . | * | trans | -63.5 | 60.3 | 173.6 | -84.6 | -13.8 | 0 | 0 | 0 | 110.8 | K284 | N282-K284 PolarHBondContact O-N 3.28Š| ||
| 283 | N | 40.4 | Very low | 35 | Very low | 90 Ų | 90 | 113.4 Ų | 113.4 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | trans | -81.5 | 81.4 | 179.6 | -80.3 | 23.8 | 0 | 0 | 0 | 106.9 | T281 H285 | T281-N283 VanDerWaalsContact CB-OD1 3.29Å; T281-N283 WeakPolarHBondContact CB-OD1 3.42Å; T281-N283 PolarHBondContact O-N 2.91Å; T281-N283 PolarHBondContact OG1-OD1 3.12Å; T281-N283 VanDerWaalsContact OG1-OD1 3.13Å; N283-H285 WeakPolarHBondContact CB-O 3.2Å; N283-H285 PolarHBondContact O-N 3.21Å | ||
| 284 | K | 53.2 | Low | 35.3 | Very low | 21 Ų | 21 | 108.2 Ų | 108.2 | 9% | 0.091 | 61% | 0.611 | C | S | . | * | trans | -57.8 | -20.5 | 152.9 | -166.8 | 175.3 | 179.1 | -168.9 | 0 | 111 | D40 T41 D161 N282 | D40-K284 VanDerWaalsContact CG-CE 3.47Å; D40-K284 WeakPolarHBondContact OD1-CE 3.45Å; D40-K284 IonicContact OD1-NZ 3.32Å; D40-K284 PolarHBondContact OD1-NZ 3.4Å; D40-K284 WeakPolarHBondContact OD2-CE 3.41Å; D40-K284 IonicContact OD2-NZ 3.55Å; D40-K284 PolarHBondContact OD2-NZ 3.37Å; T41-K284 PolarHBondContact O-NZ 3.24Å; D161-K284 IonicContact OD1-NZ 2.63Å; D161-K284 PolarHBondContact OD1-NZ 2.63Å; D161-K284 IonicContact OD2-NZ 3.55Å; N282-K284 PolarHBondContact O-N 3.28Å | ||
| 285 | H | 44.8 | Very low | 36.2 | Very low | 69 Ų | 69 | 108.5 Ų | 108.5 | 32% | 0.319 | 60% | 0.6 | S | S | . | * | trans | -111.3 | 0 | -172 | -61.3 | -29.1 | 0 | 0 | 0 | 112.4 | E42 H225 N283 | E42-H285 IonicContact OE2-CE1 2.86Å; H225-H285 WeakPolarHBondContact CE1-CB 3.5Å; H225-H285 AromaticContact CE1-CG 3.33Å; H225-H285 AromaticContact CE1-ND1 3.42Å; H225-H285 PolarHBondContact CE1-ND1 3.01Å; H225-H285 AromaticContact ND1-CD2 3.87Å; H225-H285 AromaticContact ND1-CE1 3.41Å; H225-H285 PolarHBondContact ND1-CE1 3.34Å; H225-H285 AromaticContact ND1-CG 3.26Å; H225-H285 VanDerWaalsContact ND1-CG 3.26Å; H225-H285 AromaticContact ND1-ND1 2.95Å; H225-H285 PolarHBondContact ND1-ND1 3.29Å; H225-H285 AromaticContact ND1-NE2 3.96Å; N283-H285 WeakPolarHBondContact CB-O 3.2Å; N283-H285 PolarHBondContact O-N 3.21Å |
Retrieved 285 of 285 residues in 1619.6 ms
(Link to these results)