| 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 | 35.2 | Very low | 46.6 | Very low | 225 Ų | 225 | 112.2 Ų | 112.2 | 100% | 1.108 | 65% | 0.645 | S | S | * | * | 0 | 108.9 | 0 | -71.1 | -152.8 | -81.3 | 0 | 0 | 108.1 | |||||
| 2 | P | 40.2 | Very low | 50.9 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | trans | -91.9 | -5.8 | -171.4 | -3.1 | 22.8 | 0 | 0 | 0 | 115 | ||||
| 3 | A | 32.6 | Very low | 54.5 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -27.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L5 V6 | A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.34Å; A3-V6 PolarHBondContact O-N 3.17Å |
| 4 | A | 34.1 | Very low | 57.6 | Low | 73 Ų | 73 | 96.9 Ų | 96.9 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.5 | -15.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 5 | L | 36.4 | Very low | 60.4 | Low | 148 Ų | 148 | 90.5 Ų | 90.5 | 78% | 0.775 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -84.8 | -15.9 | 177.5 | -72 | 166.9 | 0 | 0 | 0 | 112.8 | A3 | A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.34Å |
| 6 | V | 35.7 | Very low | 62.8 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -89.1 | -28.6 | -174.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | A3 | A3-V6 PolarHBondContact O-N 3.17Å |
| 7 | E | 40.1 | Very low | 64.9 | Low | 147 Ų | 147 | 84.1 Ų | 84.1 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.6 | -33.1 | 179.8 | -76.9 | -178.9 | 163.1 | 0 | 0 | 113.3 | S9 | E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.4Å |
| 8 | N | 46.3 | Very low | 66.8 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -80.5 | -7.7 | -177.8 | -73.9 | -6.4 | 0 | 0 | 0 | 114.4 | Q10 I221 | N8-Q10 VanDerWaalsContact C-N 3.29Å; N8-Q10 PolarHBondContact O-N 3.13Å; N8-I221 HydrophobicContact CB-CG2 4.16Å; N8-I221 WeakPolarHBondContact O-CG2 3.32Å |
| 9 | S | 52.6 | Low | 68.5 | Low | 92 Ų | 92 | 82.5 Ų | 82.5 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -77.9 | -11 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | E7 | E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.4Å |
| 10 | Q | 67.1 | Low | 70 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -89.3 | -4.1 | -173.2 | -72 | -175.6 | -16.1 | 0 | 0 | 114.4 | N8 | N8-Q10 VanDerWaalsContact C-N 3.29Å; N8-Q10 PolarHBondContact O-N 3.13Å |
| 11 | V | 92.5 | Very high | 71.3 | Confident | 28 Ų | 28 | 80 Ų | 80 | 17% | 0.17 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -89.6 | -24.2 | -175.3 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | N93 T94 I221 L232 | V11-N93 PolarHBondContact O-N 2.7Å; V11-N93 PolarHBondContact O-OD1 2.81Å; V11-T94 PolarHBondContact O-N 3.06Å; V11-I221 HydrophobicContact CG2-CG2 3.91Å; V11-L232 HydrophobicContact CG2-CD2 4.28Å |
| 12 | I | 97.6 | Very high | 74.4 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 16% | 0.159 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.9 | 177.4 | -52 | -177.6 | 0 | 0 | 0 | 109 | T94 Q96 | I12-T94 CarbonylContact C-O 3.6Å; I12-T94 WeakPolarHBondContact CA-O 3.29Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 4.12Å; I12-T94 HydrophobicContact CG2-CG2 4.07Å; I12-Q96 HydrophobicContact CG2-CB 4.07Å |
| 13 | C | 98.2 | Very high | 77.2 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 12% | 0.122 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.4 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | V15 I92 T94 W95 Q96 | C13-V15 PolarHBondContact O-N 2.79Å; C13-I92 HydrophobicContact CB-CD1 3.96Å; C13-I92 HydrophobicContact CB-CG1 4.28Å; C13-I92 HydrophobicContact CB-CG2 3.59Å; C13-T94 PolarHBondContact N-O 3.31Å; C13-W95 HydrophobicContact CB-CG 4.48Å; C13-Q96 PolarHBondContact O-N 3.04Å |
| 14 | E | 98.4 | Very high | 80.3 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 120.5 | 170.4 | -64.2 | -60.3 | 137.1 | 0 | 0 | 110.4 | N19 Q96 N98 | E14-N19 PolarHBondContact O-ND2 3.4Å; E14-Q96 VanDerWaalsContact CD-NE2 3.35Å; E14-Q96 PolarHBondContact OE1-NE2 3Å; E14-Q96 PolarHBondContact OE2-NE2 3.12Å; E14-N98 PolarHBondContact OE2-ND2 3.25Å |
| 15 | V | 98.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.5 | 177.5 | -161.8 | 0 | 0 | 0 | 0 | 109.3 | C13 N19 L20 E23 W95 Q96 F97 N98 I131 | C13-V15 PolarHBondContact O-N 2.79Å; V15-N19 WeakPolarHBondContact CA-OD1 3.01Å; V15-L20 HydrophobicContact CG1-CB 4.27Å; V15-L20 HydrophobicContact CG1-CD1 4.09Å; V15-E23 HydrophobicContact CG1-CB 4.21Å; V15-E23 HydrophobicContact CG1-CG 4.32Å; V15-E23 HydrophobicContact CG2-CB 4.19Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; V15-W95 HydrophobicContact CG2-CB 4.09Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; V15-Q96 PolarHBondContact N-O 3.35Å; V15-F97 HydrophobicContact CB-CD1 3.69Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.35Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.91Å; V15-F97 HydrophobicContact CG2-CD1 3.98Å; V15-F97 HydrophobicContact CG2-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CZ 4.47Å; V15-N98 WeakPolarHBondContact O-CB 3.46Å; V15-N98 PolarHBondContact O-N 3.38Å; V15-N98 PolarHBondContact O-ND2 2.89Å; V15-N98 VanDerWaalsContact O-ND2 3.12Å; V15-I131 HydrophobicContact CB-CD1 4.21Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å; V15-I131 WeakPolarHBondContact O-CD1 3.47Å |
| 16 | W | 98.9 | Very high | 86.3 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | trans | -125 | 176.8 | 176.7 | -60.9 | 89.7 | 0 | 0 | 0 | 108.5 | S18 N19 L20 N98 K125 E129 I131 | W16-S18 PolarHBondContact O-N 3.08Å; W16-S18 VanDerWaalsContact O-N 3.12Å; W16-N19 PolarHBondContact N-OD1 3.07Å; W16-N19 PolarHBondContact O-N 3.23Å; W16-N19 PolarHBondContact O-OD1 2.97Å; W16-N19 VanDerWaalsContact O-OD1 3.04Å; W16-L20 PolarHBondContact O-N 3.4Å; W16-L20 VanDerWaalsContact O-N 3.09Å; W16-N98 HydrophobicContact CD2-CB 3.83Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.44Å; W16-N98 VanDerWaalsContact CH2-CB 3.44Å; W16-N98 HydrophobicContact CZ2-CB 3.74Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.3Å; W16-N98 HydrophobicContact CZ3-CB 3.34Å; W16-K125 HydrophobicContact CD2-CD 4.27Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 4.04Å; W16-K125 HydrophobicContact CH2-CD 3.7Å; W16-K125 HydrophobicContact CH2-CG 3.8Å; W16-K125 HydrophobicContact CZ2-CD 3.63Å; W16-K125 HydrophobicContact CZ2-CG 4.23Å; W16-K125 HydrophobicContact CZ3-CB 4.12Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.71Å; W16-K125 VanDerWaalsContact NE1-NZ 3.17Å; W16-E129 HydrophobicContact CE3-CB 4.07Å; W16-I131 VanDerWaalsContact C-CG1 3.44Å | ||
| 17 | A | 98.8 | Very high | 89.3 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 45% | 0.446 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E129 | A17-E129 WeakPolarHBondContact CB-O 3.31Å; A17-E129 PolarHBondContact N-O 3.17Å |
| 18 | S | 98.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 74% | 0.741 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.1 | -175.3 | 57 | 0 | 0 | 0 | 0 | 114.9 | W16 | W16-S18 PolarHBondContact O-N 3.08Å; W16-S18 VanDerWaalsContact O-N 3.12Å |
| 19 | N | 98.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 59 Ų | 59 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 2.5 | -178.7 | 68.6 | -27.3 | 0 | 0 | 0 | 114 | E14 V15 W16 E21 E22 E23 | E14-N19 PolarHBondContact O-ND2 3.4Å; V15-N19 WeakPolarHBondContact CA-OD1 3.01Å; W16-N19 PolarHBondContact N-OD1 3.07Å; W16-N19 PolarHBondContact O-N 3.23Å; W16-N19 PolarHBondContact O-OD1 2.97Å; W16-N19 VanDerWaalsContact O-OD1 3.04Å; N19-E21 PolarHBondContact O-N 2.93Å; N19-E22 PolarHBondContact O-N 3.05Å; N19-E22 VanDerWaalsContact O-N 3.13Å; N19-E23 PolarHBondContact O-N 3.47Å |
| 20 | L | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -49.6 | -51.7 | -178 | 174.6 | 62.4 | 0 | 0 | 0 | 113.4 | V15 W16 E22 E23 M24 F97 I131 F136 L139 | V15-L20 HydrophobicContact CG1-CB 4.27Å; V15-L20 HydrophobicContact CG1-CD1 4.09Å; W16-L20 PolarHBondContact O-N 3.4Å; W16-L20 VanDerWaalsContact O-N 3.09Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.25Å; L20-E23 PolarHBondContact O-N 2.9Å; L20-M24 HydrophobicContact CD1-CG 3.78Å; L20-M24 HydrophobicContact CG-CG 4.38Å; L20-M24 WeakPolarHBondContact O-CB 3.33Å; L20-M24 VanDerWaalsContact O-CG 3.26Å; L20-M24 WeakPolarHBondContact O-CG 3.38Å; L20-M24 PolarHBondContact O-N 3.29Å; L20-F97 HydrophobicContact CD1-CD1 4.09Å; L20-F97 HydrophobicContact CD1-CE1 4Å; L20-I131 HydrophobicContact CD1-CD1 4.21Å; L20-I131 HydrophobicContact CD2-CG2 3.72Å; L20-F136 HydrophobicContact CD1-CD2 3.92Å; L20-L139 HydrophobicContact CD1-CD1 4.3Å; L20-L139 HydrophobicContact CD2-CD1 3.78Å; L20-L139 HydrophobicContact CG-CD1 3.66Å |
| 21 | E | 98.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 49.2 Ų | 49.2 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -35.9 | -177.5 | -74 | -170.5 | -140.9 | 0 | 0 | 113.2 | N19 R25 H135 L139 | N19-E21 PolarHBondContact O-N 2.93Å; E21-R25 PolarHBondContact O-N 2.86Å; E21-R25 VanDerWaalsContact O-N 3.14Å; E21-H135 IonicContact OE1-CE1 3.81Å; E21-H135 IonicContact OE1-NE2 2.82Å; E21-L139 HydrophobicContact CG-CD1 4.21Å |
| 22 | E | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 177.8 | -174 | -172.9 | 151.7 | 0 | 0 | 110.4 | N19 L20 R25 K26 | N19-E22 PolarHBondContact O-N 3.05Å; N19-E22 VanDerWaalsContact O-N 3.13Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.25Å; E22-R25 VanDerWaalsContact O-CB 3.32Å; E22-R25 WeakPolarHBondContact O-CB 3.47Å; E22-R25 PolarHBondContact O-N 3.14Å; E22-R25 VanDerWaalsContact O-N 3.17Å; E22-K26 PolarHBondContact O-N 3.24Å; E22-K26 IonicContact OE1-NZ 3.92Å; E22-K26 PolarHBondContact OE1-NZ 3.48Å |
| 23 | E | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | -178.7 | -63.3 | -48.7 | 128.6 | 0 | 0 | 111.8 | V15 N19 L20 R25 K26 I27 W95 | V15-E23 HydrophobicContact CG1-CB 4.21Å; V15-E23 HydrophobicContact CG1-CG 4.32Å; V15-E23 HydrophobicContact CG2-CB 4.19Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; N19-E23 PolarHBondContact O-N 3.47Å; L20-E23 PolarHBondContact O-N 2.9Å; E23-R25 PolarHBondContact O-N 3.39Å; E23-K26 WeakPolarHBondContact O-CB 3.42Å; E23-K26 PolarHBondContact O-N 3.48Å; E23-K26 IonicContact OE1-NZ 4Å; E23-K26 PolarHBondContact OE1-NZ 2.86Å; E23-K26 WeakPolarHBondContact OE2-CD 3.5Å; E23-K26 IonicContact OE2-NZ 2.7Å; E23-I27 WeakPolarHBondContact O-CG1 3.47Å; E23-I27 PolarHBondContact O-N 3.48Å; E23-W95 PolarHBondContact OE2-NE1 3Å |
| 24 | M | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -24.2 | 173 | -73 | -58 | -64.3 | 0 | 0 | 113.1 | L20 I27 R28 F97 F136 L139 L140 | L20-M24 HydrophobicContact CD1-CG 3.78Å; L20-M24 HydrophobicContact CG-CG 4.38Å; L20-M24 WeakPolarHBondContact O-CB 3.33Å; L20-M24 VanDerWaalsContact O-CG 3.26Å; L20-M24 WeakPolarHBondContact O-CG 3.38Å; L20-M24 PolarHBondContact O-N 3.29Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; M24-R28 WeakPolarHBondContact O-CG 3.26Å; M24-R28 PolarHBondContact O-N 3.41Å; M24-R28 PolarHBondContact O-NE 2.82Å; M24-F97 HydrophobicContact SD-CE1 4.04Å; M24-F97 HydrophobicContact SD-CZ 4.07Å; M24-F136 HydrophobicContact SD-CE2 4.36Å; M24-L139 HydrophobicContact CB-CB 4.44Å; M24-L139 HydrophobicContact CB-CD1 4.32Å; M24-L139 HydrophobicContact CE-CB 3.99Å; M24-L139 HydrophobicContact CG-CB 4.07Å; M24-L139 HydrophobicContact CG-CD1 3.98Å; M24-L140 HydrophobicContact CE-CB 4.42Å; M24-L140 HydrophobicContact CE-CD1 4.21Å |
| 25 | R | 98.5 | Very high | 98.3 | Very high | 136 Ų | 136 | 56.4 Ų | 56.4 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.4 | -42.9 | 170.4 | -168.6 | -177.2 | -59.9 | 113.7 | 5 | 111.3 | E21 E22 E23 R28 E29 | E21-R25 PolarHBondContact O-N 2.86Å; E21-R25 VanDerWaalsContact O-N 3.14Å; E22-R25 VanDerWaalsContact O-CB 3.32Å; E22-R25 WeakPolarHBondContact O-CB 3.47Å; E22-R25 PolarHBondContact O-N 3.14Å; E22-R25 VanDerWaalsContact O-N 3.17Å; E23-R25 PolarHBondContact O-N 3.39Å; R25-R28 WeakPolarHBondContact O-CB 3.47Å; R25-R28 PolarHBondContact O-N 3.09Å; R25-E29 PolarHBondContact O-N 2.94Å |
| 26 | K | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.8 | -62.7 | 170.4 | -169.8 | 159.9 | 0 | 111.2 | E22 E23 R28 E29 I30 W95 | E22-K26 PolarHBondContact O-N 3.24Å; E22-K26 IonicContact OE1-NZ 3.92Å; E22-K26 PolarHBondContact OE1-NZ 3.48Å; E23-K26 WeakPolarHBondContact O-CB 3.42Å; E23-K26 PolarHBondContact O-N 3.48Å; E23-K26 IonicContact OE1-NZ 4Å; E23-K26 PolarHBondContact OE1-NZ 2.86Å; E23-K26 WeakPolarHBondContact OE2-CD 3.5Å; E23-K26 IonicContact OE2-NZ 2.7Å; K26-R28 VanDerWaalsContact C-N 3.32Å; K26-R28 PolarHBondContact O-N 3.07Å; K26-E29 PolarHBondContact O-N 3.12Å; K26-E29 VanDerWaalsContact O-N 3.08Å; K26-I30 WeakPolarHBondContact O-CG1 3.35Å; K26-I30 PolarHBondContact O-N 3.06Å; K26-W95 HydrophobicContact CB-CZ2 4.48Å |
| 27 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.8 | -72.4 | 169.1 | 0 | 0 | 0 | 111.7 | E23 M24 E29 I30 V31 F81 W95 F97 V145 | E23-I27 WeakPolarHBondContact O-CG1 3.47Å; E23-I27 PolarHBondContact O-N 3.48Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; I27-E29 PolarHBondContact O-N 2.81Å; I27-I30 PolarHBondContact O-N 2.82Å; I27-V31 PolarHBondContact O-N 3.5Å; I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CD1-CE2 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.19Å; I27-F81 HydrophobicContact CG1-CZ 4.24Å; I27-F81 HydrophobicContact CG2-CE1 4.08Å; I27-F81 HydrophobicContact CG2-CE2 4.38Å; I27-F81 HydrophobicContact CG2-CZ 3.59Å; I27-W95 HydrophobicContact CD1-CB 4.27Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.41Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.82Å; I27-W95 HydrophobicContact CG1-CE3 4.13Å; I27-W95 HydrophobicContact CG1-CG 4.26Å; I27-W95 HydrophobicContact CG1-CZ2 4.27Å; I27-F97 HydrophobicContact CD1-CE1 4.44Å; I27-F97 HydrophobicContact CD1-CE2 4.36Å; I27-F97 HydrophobicContact CD1-CZ 3.54Å; I27-V145 HydrophobicContact CG2-CG2 3.65Å |
| 28 | R | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.4 | -31.1 | 175.5 | -85.5 | -179.2 | -88.1 | -143.3 | 3.2 | 113.4 | M24 R25 K26 S143 | M24-R28 WeakPolarHBondContact O-CG 3.26Å; M24-R28 PolarHBondContact O-N 3.41Å; M24-R28 PolarHBondContact O-NE 2.82Å; R25-R28 WeakPolarHBondContact O-CB 3.47Å; R25-R28 PolarHBondContact O-N 3.09Å; K26-R28 VanDerWaalsContact C-N 3.32Å; K26-R28 PolarHBondContact O-N 3.07Å; R28-S143 WeakPolarHBondContact CG-O 3.35Å |
| 29 | E | 97.7 | Very high | 98.3 | Very high | 129 Ų | 129 | 48.5 Ų | 48.5 | 60% | 0.603 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -82.3 | -42.2 | 175.9 | -64.9 | 175 | -173.3 | 0 | 0 | 111.4 | R25 K26 I27 L32 | R25-E29 PolarHBondContact O-N 2.94Å; K26-E29 PolarHBondContact O-N 3.12Å; K26-E29 VanDerWaalsContact O-N 3.08Å; I27-E29 PolarHBondContact O-N 2.81Å; E29-L32 WeakPolarHBondContact O-CB 3.4Å; E29-L32 PolarHBondContact O-N 3.39Å |
| 30 | I | 97.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.159 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | -175.1 | -74.5 | 174.7 | 0 | 0 | 0 | 112.2 | K26 I27 L32 S33 Y34 F81 P89 W95 | K26-I30 WeakPolarHBondContact O-CG1 3.35Å; K26-I30 PolarHBondContact O-N 3.06Å; I27-I30 PolarHBondContact O-N 2.82Å; I30-L32 PolarHBondContact O-N 2.88Å; I30-S33 PolarHBondContact O-N 2.89Å; I30-Y34 HydrophobicContact CG2-CD2 4.03Å; I30-Y34 HydrophobicContact CG2-CG 4.28Å; I30-Y34 PolarHBondContact O-N 3.03Å; I30-F81 HydrophobicContact CG2-CB 3.69Å; I30-F81 HydrophobicContact CG2-CD1 3.95Å; I30-F81 HydrophobicContact CG2-CG 3.84Å; I30-P89 HydrophobicContact CD1-CB 4.48Å; I30-P89 HydrophobicContact CD1-CG 4.49Å; I30-P89 HydrophobicContact CG2-CG 4.29Å; I30-W95 HydrophobicContact CD1-CH2 3.26Å; I30-W95 HydrophobicContact CD1-CZ2 3.88Å; I30-W95 HydrophobicContact CD1-CZ3 4.17Å |
| 31 | V | 97.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.1 | -177.1 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | I27 S33 I37 F81 V145 V151 | I27-V31 PolarHBondContact O-N 3.5Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.07Å; V31-I37 HydrophobicContact CG2-CD1 4.12Å; V31-F81 HydrophobicContact CB-CE1 4.24Å; V31-F81 HydrophobicContact CG2-CE1 4.4Å; V31-V145 HydrophobicContact CB-CG2 4.2Å; V31-V145 HydrophobicContact CG1-CG2 4.49Å; V31-V145 HydrophobicContact CG2-CG2 4.01Å; V31-V151 HydrophobicContact CG2-CG2 4.01Å |
| 32 | L | 97 | Very high | 98.4 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 71% | 0.712 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.1 | 177.2 | -58.7 | 177.2 | 0 | 0 | 0 | 113.2 | E29 I30 | E29-L32 WeakPolarHBondContact O-CB 3.4Å; E29-L32 PolarHBondContact O-N 3.39Å; I30-L32 PolarHBondContact O-N 2.88Å |
| 33 | S | 97.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 41 Ų | 41 | 60% | 0.601 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -21.6 | -178.7 | -58 | 0 | 0 | 0 | 0 | 113.2 | I30 V31 | I30-S33 PolarHBondContact O-N 2.89Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.07Å |
| 34 | Y | 98.4 | Very high | 98.3 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 21% | 0.212 | 20% | 0.195 | C | C | . | . | trans | -124.1 | 73.8 | -176.5 | -61.7 | -89.5 | 0 | 0 | 0 | 109.1 | I30 T82 N83 E87 P89 | I30-Y34 HydrophobicContact CG2-CD2 4.03Å; I30-Y34 HydrophobicContact CG2-CG 4.28Å; I30-Y34 PolarHBondContact O-N 3.03Å; Y34-T82 CarbonylContact C-O 3.53Å; Y34-T82 WeakPolarHBondContact CA-O 3.29Å; Y34-T82 WeakPolarHBondContact CB-O 3.39Å; Y34-N83 HydrophobicContact CD1-CB 3.95Å; Y34-N83 HydrophobicContact CE1-CB 4.3Å; Y34-E87 WeakPolarHBondContact CD1-O 3.44Å; Y34-E87 WeakPolarHBondContact CE1-O 3.41Å; Y34-P89 HydrophobicContact CD1-CB 4.48Å; Y34-P89 HydrophobicContact CD2-CB 4.02Å; Y34-P89 HydrophobicContact CE1-CB 4.22Å; Y34-P89 VanDerWaalsContact CE1-N 3.25Å; Y34-P89 HydrophobicContact CE2-CB 3.73Å; Y34-P89 HydrophobicContact CG-CB 4.4Å; Y34-P89 HydrophobicContact CG-CG 4.49Å; Y34-P89 VanDerWaalsContact CZ-CA 3.43Å; Y34-P89 WeakPolarHBondContact OH-CA 3.45Å | ||
| 35 | S | 98 | Very high | 98.1 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | trans | -88.9 | 2.2 | -171.6 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | T82 N150 V151 K152 | S35-T82 PolarHBondContact N-O 2.8Å; S35-N150 VanDerWaalsContact CB-O 3.29Å; S35-N150 WeakPolarHBondContact CB-O 3.42Å; S35-N150 PolarHBondContact OG-O 3.08Å; S35-N150 VanDerWaalsContact OG-O 3.08Å; S35-V151 CarbonylContact O-C 3.57Å; S35-V151 WeakPolarHBondContact O-CA 3.42Å; S35-K152 PolarHBondContact O-N 2.93Å | ||
| 36 | Y | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.8 | 171.2 | -80.8 | -113.6 | 0 | 0 | 0 | 108.9 | T82 E84 K152 L154 F238 F239 | Y36-T82 WeakPolarHBondContact CB-O 3.4Å; Y36-T82 WeakPolarHBondContact CB-OG1 3.27Å; Y36-T82 PolarHBondContact N-O 3.13Å; Y36-T82 PolarHBondContact O-N 2.87Å; Y36-T82 PolarHBondContact O-OG1 3.45Å; Y36-E84 HydrophobicContact CD2-CB 4.44Å; Y36-E84 HydrophobicContact CE2-CB 3.83Å; Y36-E84 HydrophobicContact CE2-CG 4.14Å; Y36-K152 CarbonylContact C-O 3.45Å; Y36-K152 WeakPolarHBondContact CA-O 3.41Å; Y36-K152 HydrophobicContact CD1-CB 3.94Å; Y36-K152 HydrophobicContact CD2-CB 4.3Å; Y36-K152 HydrophobicContact CD2-CG 4.38Å; Y36-K152 HydrophobicContact CE1-CB 3.95Å; Y36-K152 HydrophobicContact CE1-CD 3.91Å; Y36-K152 HydrophobicContact CE1-CG 4.18Å; Y36-K152 HydrophobicContact CE2-CB 4.3Å; Y36-K152 HydrophobicContact CE2-CD 4.14Å; Y36-K152 HydrophobicContact CE2-CG 3.97Å; Y36-K152 HydrophobicContact CG-CB 4.12Å; Y36-K152 WeakPolarHBondContact OH-CD 3.32Å; Y36-K152 WeakPolarHBondContact OH-CE 3.16Å; Y36-L154 HydrophobicContact CD1-CD1 4.25Å; Y36-L154 HydrophobicContact CD1-CD2 4.09Å; Y36-L154 HydrophobicContact CD1-CG 4.46Å; Y36-F238 HydrophobicContact CD1-CE1 4.2Å; Y36-F238 HydrophobicContact CE1-CE1 4.13Å; Y36-F238 HydrophobicContact CE1-CZ 4.43Å; Y36-F239 HydrophobicContact CD1-CE1 4.44Å; Y36-F239 AromaticContact CD1-CZ 3.76Å; Y36-F239 HydrophobicContact CD1-CZ 3.76Å; Y36-F239 HydrophobicContact CE1-CZ 4.4Å; Y36-F239 HydrophobicContact CG-CZ 4.06Å |
| 37 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.6 | -171.8 | -52.7 | -179.6 | 0 | 0 | 0 | 108.7 | V31 L79 T80 F81 V145 V151 K152 W153 L154 | V31-I37 HydrophobicContact CG2-CD1 4.12Å; I37-L79 HydrophobicContact CG2-CB 4.3Å; I37-L79 HydrophobicContact CG2-CD2 3.99Å; I37-T80 CarbonylContact C-O 3.59Å; I37-T80 WeakPolarHBondContact CA-O 3.41Å; I37-F81 HydrophobicContact CD1-CD1 4.16Å; I37-F81 HydrophobicContact CD1-CE1 3.59Å; I37-F81 HydrophobicContact CD1-CZ 4.29Å; I37-F81 HydrophobicContact CG1-CD1 3.89Å; I37-F81 HydrophobicContact CG1-CE1 3.82Å; I37-F81 HydrophobicContact CG2-CE1 4.44Å; I37-F81 HydrophobicContact CG2-CZ 4.43Å; I37-V145 HydrophobicContact CD1-CB 4.24Å; I37-V145 HydrophobicContact CD1-CG1 3.6Å; I37-V145 HydrophobicContact CD1-CG2 4.24Å; I37-V151 HydrophobicContact CD1-CG1 3.47Å; I37-V151 VanDerWaalsContact CD1-CG1 3.47Å; I37-V151 HydrophobicContact CG1-CG1 3.93Å; I37-K152 PolarHBondContact N-O 3.36Å; I37-W153 HydrophobicContact CD1-CZ2 4.43Å; I37-W153 HydrophobicContact CG2-CE3 4.34Å; I37-W153 HydrophobicContact CG2-CH2 4.35Å; I37-W153 HydrophobicContact CG2-CZ3 4.15Å; I37-W153 CarbonylContact O-C 3.53Å; I37-W153 WeakPolarHBondContact O-CA 3.26Å; I37-L154 PolarHBondContact O-N 3.2Å |
| 38 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L79 T80 L154 S231 T234 | A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.43Å; A38-T80 PolarHBondContact N-O 3.35Å; A38-T80 PolarHBondContact O-N 2.79Å; A38-L154 CarbonylContact C-O 3.01Å; A38-L154 VanDerWaalsContact CA-O 3.25Å; A38-L154 WeakPolarHBondContact CA-O 3.47Å; A38-L154 HydrophobicContact CB-CB 3.97Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; A38-S231 WeakPolarHBondContact CB-O 3.49Å; A38-T234 HydrophobicContact CB-CG2 4.47Å |
| 39 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.9 | -171.6 | -177.3 | -87.4 | -68.6 | 0 | 0 | 112.1 | T41 L77 G78 L79 W153 L154 D161 F162 M165 | M39-T41 HydrophobicContact SD-CG2 3.83Å; M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.89Å; M39-G78 VanDerWaalsContact CA-O 3.29Å; M39-G78 WeakPolarHBondContact CA-O 3.22Å; M39-L79 HydrophobicContact CB-CD2 3.9Å; M39-L79 HydrophobicContact CG-CD2 3.65Å; M39-W153 HydrophobicContact CB-CE3 3.92Å; M39-W153 HydrophobicContact CB-CZ3 3.83Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.94Å; M39-L154 PolarHBondContact N-O 2.62Å; M39-D161 HydrophobicContact CE-CB 3.67Å; M39-D161 HydrophobicContact SD-CB 3.66Å; M39-F162 HydrophobicContact CE-CD1 4.03Å; M39-F162 HydrophobicContact CE-CD2 4.33Å; M39-F162 HydrophobicContact CE-CE1 3.8Å; M39-F162 HydrophobicContact CE-CE2 4.12Å; M39-F162 HydrophobicContact CE-CG 4.28Å; M39-F162 HydrophobicContact CE-CZ 3.84Å; M39-M165 HydrophobicContact CE-CG 4.23Å |
| 40 | D | 98.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.2 | 170.2 | -166.9 | 64.4 | 0 | 0 | 0 | 109.4 | G78 D230 | D40-G78 PolarHBondContact N-O 3.3Å; D40-G78 PolarHBondContact O-N 2.78Å; D40-D230 HydrophobicContact CB-CB 4.01Å; D40-D230 WeakPolarHBondContact OD2-CB 3.49Å |
| 41 | T | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.6 | 177.3 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | M39 I74 Q76 L77 D161 | M39-T41 HydrophobicContact SD-CG2 3.83Å; T41-I74 HydrophobicContact CG2-CD1 3.85Å; T41-Q76 WeakPolarHBondContact CA-O 3.48Å; T41-Q76 WeakPolarHBondContact CB-O 3.49Å; T41-L77 HydrophobicContact CG2-CD1 3.74Å; T41-D161 HydrophobicContact CG2-CB 4Å; T41-D161 PolarHBondContact N-OD1 3.11Å; T41-D161 PolarHBondContact OG1-OD1 3.38Å |
| 42 | E | 98.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.4 | 168.3 | -61.8 | -66 | 177.6 | 0 | 0 | 110 | I75 Q76 L116 H225 Q226 A227 | E42-I75 WeakPolarHBondContact O-CA 3.37Å; E42-I75 WeakPolarHBondContact O-CB 3.2Å; E42-I75 PolarHBondContact O-N 3.21Å; E42-Q76 HydrophobicContact CB-CB 4.07Å; E42-Q76 HydrophobicContact CG-CB 4.4Å; E42-Q76 PolarHBondContact N-O 2.89Å; E42-Q76 PolarHBondContact O-N 2.89Å; E42-L116 HydrophobicContact CB-CD2 4.03Å; E42-L116 HydrophobicContact CG-CD2 4.07Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.45Å; E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.2Å; E42-Q226 PolarHBondContact OE1-N 3.37Å; E42-A227 HydrophobicContact CG-CB 4.13Å |
| 43 | F | 98.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | trans | -151.6 | 164.4 | -175.7 | 61.6 | -95 | 0 | 0 | 0 | 110.2 | G45 Y160 Y164 | F43-G45 WeakPolarHBondContact CE2-O 3.45Å; F43-G45 PolarHBondContact O-N 2.81Å; F43-Y160 HydrophobicContact CE1-CG 4.4Å; F43-Y160 AromaticContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CE1 4.39Å; F43-Y160 HydrophobicContact CE2-CG 4.28Å; F43-Y160 AromaticContact CZ-CD1 3.73Å; F43-Y160 HydrophobicContact CZ-CD1 3.73Å; F43-Y160 AromaticContact CZ-CG 3.72Å; F43-Y160 HydrophobicContact CZ-CG 3.72Å; F43-Y164 HydrophobicContact CB-CD2 4.34Å; F43-Y164 HydrophobicContact CB-CE1 4.47Å; F43-Y164 HydrophobicContact CB-CE2 3.54Å; F43-Y164 AromaticContact CD1-CD2 3.99Å; F43-Y164 HydrophobicContact CD1-CD2 3.99Å; F43-Y164 AromaticContact CD1-CE2 3.52Å; F43-Y164 HydrophobicContact CD1-CE2 3.52Å; F43-Y164 AromaticContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CE1-CD2 4.5Å; F43-Y164 HydrophobicContact CE1-CE2 4.08Å; F43-Y164 HydrophobicContact CE2-CE2 4.21Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.29Å; F43-Y164 HydrophobicContact CG-CE2 3.29Å; F43-Y164 AromaticContact CG-CZ 3.78Å; F43-Y164 HydrophobicContact CZ-CE2 4.39Å | ||
| 44 | P | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -81.2 | 35.5 | -166.8 | 33.4 | -37.3 | 0 | 0 | 0 | 114.1 | L72 K73 I75 F101 Y108 S109 I113 | P44-L72 HydrophobicContact CG-CB 4.01Å; P44-L72 HydrophobicContact CG-CD1 4.23Å; P44-L72 HydrophobicContact CG-CD2 4.1Å; P44-L72 HydrophobicContact CG-CG 4.34Å; P44-K73 WeakPolarHBondContact CD-O 3.37Å; P44-I75 HydrophobicContact CB-CD1 4.13Å; P44-I75 HydrophobicContact CG-CD1 4.47Å; P44-F101 HydrophobicContact CB-CE2 4.46Å; P44-F101 HydrophobicContact CB-CZ 4.03Å; P44-F101 HydrophobicContact CG-CE2 3.99Å; P44-F101 HydrophobicContact CG-CZ 4.01Å; P44-Y108 VanDerWaalsContact CB-CB 3.43Å; P44-S109 WeakPolarHBondContact O-CB 3.37Å; P44-S109 PolarHBondContact O-N 3.43Å; P44-I113 HydrophobicContact CB-CD1 4.19Å | ||
| 45 | G | 94.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | trans | 75.3 | -142.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F43 L72 S112 | F43-G45 WeakPolarHBondContact CE2-O 3.45Å; F43-G45 PolarHBondContact O-N 2.81Å; G45-L72 WeakPolarHBondContact O-CD1 3.29Å; G45-S112 WeakPolarHBondContact CA-OG 3.4Å | ||
| 46 | V | 93.9 | Very high | 93 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -130.3 | 122.4 | -175.2 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | L64 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.23Å; V46-N68 WeakPolarHBondContact CA-OD1 3.43Å; V46-Y160 HydrophobicContact CG2-CE1 4.1Å | ||
| 47 | V | 93.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | trans | -114.3 | -21 | -175 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | N68 L71 L72 | V47-N68 PolarHBondContact N-OD1 2.87Å; V47-L71 HydrophobicContact CG2-CD2 3.66Å; V47-L72 HydrophobicContact CG1-CD1 4.49Å; V47-L72 HydrophobicContact CG1-CD2 4.19Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.78Å; V47-L72 HydrophobicContact CG2-CG 4.21Å | ||
| 48 | V | 93.3 | Very high | 91.7 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | trans | -127.3 | 154.2 | -178 | -71.5 | 0 | 0 | 0 | 0 | 112 | L64 C67 N68 L71 | V48-L64 WeakPolarHBondContact O-CD1 3.48Å; V48-C67 HydrophobicContact CG2-CB 4.22Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.41Å; V48-N68 PolarHBondContact N-OD1 3.04Å; V48-N68 PolarHBondContact O-ND2 3.19Å; V48-L71 HydrophobicContact CG1-CD2 3.94Å; V48-L71 HydrophobicContact CG2-CD2 4.03Å | ||
| 49 | R | 92.5 | Very high | 91.2 | Very high | 176 Ų | 176 | 65.4 Ų | 65.4 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | trans | -121.7 | 134.1 | 168.7 | -66.4 | -178 | -178.4 | -87.6 | -3 | 108.7 | L64 | R49-L64 HydrophobicContact CB-CD1 4.46Å; R49-L64 HydrophobicContact CG-CD1 4.14Å | ||
| 50 | P | 88.8 | Confident | 90.9 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | -68.5 | 137.9 | 178.2 | 31.6 | -35.2 | 0 | 0 | 0 | 109.4 | F54 Y60 Q63 L64 | P50-F54 HydrophobicContact CB-CE1 4.01Å; P50-F54 HydrophobicContact CB-CZ 3.72Å; P50-F54 HydrophobicContact CG-CE1 3.95Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; P50-Y60 HydrophobicContact CG-CD2 4.19Å; P50-Y60 HydrophobicContact CG-CE2 3.87Å; P50-Q63 HydrophobicContact CB-CB 4.28Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; P50-L64 HydrophobicContact CG-CB 4.38Å | ||
| 51 | I | 86.6 | Confident | 90.6 | Very high | 176 Ų | 176 | 71 Ų | 71 | 90% | 0.903 | 37% | 0.366 | S | S | * | . | trans | -104.4 | 129.2 | 177.4 | -59.9 | 173.4 | 0 | 0 | 0 | 107.8 | ||||
| 52 | G | 85.4 | Confident | 90.5 | Very high | 54 Ų | 54 | 70.9 Ų | 70.9 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 153.4 | -175.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F54 | G52-F54 WeakPolarHBondContact O-CD2 3.41Å; G52-F54 WeakPolarHBondContact O-CE2 3.43Å |
| 53 | E | 82.8 | Confident | 90.4 | Very high | 202 Ų | 202 | 71 Ų | 71 | 94% | 0.944 | 37% | 0.366 | S | S | * | . | trans | -90.5 | 135.6 | 167.9 | -65.1 | -173.7 | 171.1 | 0 | 0 | 109.4 | ||||
| 54 | F | 87.2 | Confident | 90.3 | Very high | 62 Ų | 62 | 70 Ų | 70 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | trans | -117.8 | 143.9 | -178.3 | -57.5 | -86.3 | 0 | 0 | 0 | 109.8 | P50 G52 S56 Y60 Q63 | P50-F54 HydrophobicContact CB-CE1 4.01Å; P50-F54 HydrophobicContact CB-CZ 3.72Å; P50-F54 HydrophobicContact CG-CE1 3.95Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; G52-F54 WeakPolarHBondContact O-CD2 3.41Å; G52-F54 WeakPolarHBondContact O-CE2 3.43Å; F54-S56 PolarHBondContact O-N 3.44Å; F54-Y60 HydrophobicContact CD1-CD2 4.11Å; F54-Y60 AromaticContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CE2 4.38Å; F54-Y60 HydrophobicContact CD2-CG 4.39Å; F54-Y60 AromaticContact CE1-CD2 4Å; F54-Y60 HydrophobicContact CE1-CD2 4Å; F54-Y60 AromaticContact CE2-CD2 3.44Å; F54-Y60 HydrophobicContact CE2-CD2 3.44Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.44Å; F54-Y60 AromaticContact CE2-CE2 3.88Å; F54-Y60 HydrophobicContact CE2-CE2 3.88Å; F54-Y60 AromaticContact CG-CD2 3.9Å; F54-Y60 HydrophobicContact CG-CD2 3.9Å; F54-Y60 HydrophobicContact CG-CG 4.44Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.08Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.08Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.94Å | ||
| 55 | R | 81.9 | Confident | 90.3 | Very high | 191 Ų | 191 | 70.2 Ų | 70.2 | 72% | 0.721 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -67.7 | -27.4 | -176.7 | -60.3 | -179.1 | -172.2 | 144 | 8.3 | 111.7 | D59 E177 | R55-D59 HydrophobicContact CB-CB 4.43Å; R55-D59 PolarHBondContact N-OD2 3.3Å; R55-E177 IonicContact CZ-OE1 3.54Å; R55-E177 IonicContact CZ-OE2 3.77Å; R55-E177 IonicContact NH1-OE1 3.3Å; R55-E177 PolarHBondContact NH1-OE1 2.72Å; R55-E177 IonicContact NH1-OE2 2.82Å; R55-E177 PolarHBondContact NH1-OE2 3.03Å; R55-E177 IonicContact NH2-OE1 2.94Å; R55-E177 PolarHBondContact NH2-OE1 3.2Å; R55-E177 IonicContact NH2-OE2 3.9Å |
| 56 | S | 85.8 | Confident | 90.5 | Very high | 55 Ų | 55 | 71.6 Ų | 71.6 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -161.4 | 172.9 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | F54 I58 D59 Y60 | F54-S56 PolarHBondContact O-N 3.44Å; S56-I58 PolarHBondContact O-N 3.08Å; S56-I58 PolarHBondContact OG-N 3.48Å; S56-D59 PolarHBondContact O-N 3.25Å; S56-D59 PolarHBondContact OG-N 2.98Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; S56-Y60 PolarHBondContact O-N 3.49Å |
| 57 | S | 85.6 | Confident | 90.6 | Very high | 90 Ų | 90 | 70.2 Ų | 70.2 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -34.5 | 170.4 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | Y60 Q61 | S57-Y60 WeakPolarHBondContact O-CB 3.3Å; S57-Y60 PolarHBondContact O-N 3.37Å; S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.16Å |
| 58 | I | 85.1 | Confident | 90.8 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.2 | -45.5 | 179.6 | -62.6 | 140.9 | 0 | 0 | 0 | 110.3 | S56 Y60 Q61 Y62 E178 T264 | S56-I58 PolarHBondContact O-N 3.08Å; S56-I58 PolarHBondContact OG-N 3.48Å; I58-Y60 VanDerWaalsContact C-N 3.28Å; I58-Y60 PolarHBondContact O-N 2.84Å; I58-Q61 WeakPolarHBondContact O-CB 3.35Å; I58-Q61 PolarHBondContact O-N 3.37Å; I58-Y62 PolarHBondContact O-N 3Å; I58-E178 WeakPolarHBondContact CG2-OE2 3.34Å; I58-T264 WeakPolarHBondContact CD1-OG1 3.13Å; I58-T264 WeakPolarHBondContact CG1-OG1 3.41Å |
| 59 | D | 87.6 | Confident | 91.1 | Very high | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 173.7 | 179.7 | 38.8 | 0 | 0 | 0 | 110.7 | R55 S56 Q61 Y62 Q63 | R55-D59 HydrophobicContact CB-CB 4.43Å; R55-D59 PolarHBondContact N-OD2 3.3Å; S56-D59 PolarHBondContact O-N 3.25Å; S56-D59 PolarHBondContact OG-N 2.98Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; D59-Q61 PolarHBondContact O-N 2.81Å; D59-Y62 PolarHBondContact O-N 3.44Å; D59-Q63 WeakPolarHBondContact O-CG 3.49Å; D59-Q63 PolarHBondContact O-N 3.03Å |
| 60 | Y | 92.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 172.4 | 178.2 | -99.7 | 0 | 0 | 0 | 113.2 | P50 F54 S56 S57 I58 Q63 L64 | P50-Y60 HydrophobicContact CG-CD2 4.19Å; P50-Y60 HydrophobicContact CG-CE2 3.87Å; F54-Y60 HydrophobicContact CD1-CD2 4.11Å; F54-Y60 AromaticContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CD2 3.56Å; F54-Y60 HydrophobicContact CD2-CE2 4.38Å; F54-Y60 HydrophobicContact CD2-CG 4.39Å; F54-Y60 AromaticContact CE1-CD2 4Å; F54-Y60 HydrophobicContact CE1-CD2 4Å; F54-Y60 AromaticContact CE2-CD2 3.44Å; F54-Y60 HydrophobicContact CE2-CD2 3.44Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.44Å; F54-Y60 AromaticContact CE2-CE2 3.88Å; F54-Y60 HydrophobicContact CE2-CE2 3.88Å; F54-Y60 AromaticContact CG-CD2 3.9Å; F54-Y60 HydrophobicContact CG-CD2 3.9Å; F54-Y60 HydrophobicContact CG-CG 4.44Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.08Å; S56-Y60 PolarHBondContact O-N 3.49Å; S57-Y60 WeakPolarHBondContact O-CB 3.3Å; S57-Y60 PolarHBondContact O-N 3.37Å; I58-Y60 VanDerWaalsContact C-N 3.28Å; I58-Y60 PolarHBondContact O-N 2.84Å; Y60-Q63 PolarHBondContact O-N 3.47Å; Y60-L64 HydrophobicContact CE1-CD2 4.29Å; Y60-L64 VanDerWaalsContact O-CB 3.28Å; Y60-L64 WeakPolarHBondContact O-CB 3.44Å; Y60-L64 PolarHBondContact O-N 2.98Å |
| 61 | Q | 93.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 177 | -66.9 | -49.2 | -56.5 | 0 | 0 | 111.4 | S57 I58 D59 L64 L65 L262 | S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.16Å; I58-Q61 WeakPolarHBondContact O-CB 3.35Å; I58-Q61 PolarHBondContact O-N 3.37Å; D59-Q61 PolarHBondContact O-N 2.81Å; Q61-L64 PolarHBondContact O-N 3.41Å; Q61-L65 WeakPolarHBondContact O-CB 3.36Å; Q61-L65 PolarHBondContact O-N 3.17Å; Q61-L262 HydrophobicContact CB-CD2 4.13Å |
| 62 | Y | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 176.8 | 178.7 | -106.2 | 0 | 0 | 0 | 111.7 | I58 D59 L64 L65 R66 P175 E178 F181 | I58-Y62 PolarHBondContact O-N 3Å; D59-Y62 PolarHBondContact O-N 3.44Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 2.87Å; Y62-L65 WeakPolarHBondContact O-CB 3.46Å; Y62-L65 PolarHBondContact O-N 3.32Å; Y62-R66 HydrophobicContact CE1-CB 4.42Å; Y62-R66 VanDerWaalsContact O-CB 3.32Å; Y62-R66 WeakPolarHBondContact O-CB 3.37Å; Y62-R66 PolarHBondContact O-N 3.26Å; Y62-P175 WeakPolarHBondContact CE1-O 3.47Å; Y62-P175 PolarHBondContact OH-O 3.43Å; Y62-E178 HydrophobicContact CD1-CB 3.76Å; Y62-E178 HydrophobicContact CD1-CG 4.48Å; Y62-E178 HydrophobicContact CD2-CB 4.11Å; Y62-E178 HydrophobicContact CD2-CG 3.96Å; Y62-E178 HydrophobicContact CE1-CB 4.27Å; Y62-E178 HydrophobicContact CG-CB 3.68Å; Y62-E178 HydrophobicContact CG-CG 3.9Å; Y62-F181 HydrophobicContact CD2-CD1 4.47Å; Y62-F181 HydrophobicContact CE2-CB 3.62Å; Y62-F181 AromaticContact CE2-CD1 3.88Å; Y62-F181 HydrophobicContact CE2-CD1 3.88Å; Y62-F181 HydrophobicContact CE2-CD2 4.24Å; Y62-F181 AromaticContact CE2-CG 3.64Å; Y62-F181 HydrophobicContact CE2-CG 3.64Å; Y62-F181 VanDerWaalsContact OH-CB 3.29Å; Y62-F181 WeakPolarHBondContact OH-CB 3.07Å |
| 63 | Q | 96.3 | Very high | 92.9 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -34.6 | 178.1 | -66 | -54.7 | -35.5 | 0 | 0 | 112.6 | P50 F54 D59 Y60 R66 C67 E176 | P50-Q63 HydrophobicContact CB-CB 4.28Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.08Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.94Å; D59-Q63 WeakPolarHBondContact O-CG 3.49Å; D59-Q63 PolarHBondContact O-N 3.03Å; Y60-Q63 PolarHBondContact O-N 3.47Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.09Å; Q63-C67 WeakPolarHBondContact O-CB 3.49Å; Q63-C67 PolarHBondContact O-N 3.47Å; Q63-C67 PolarHBondContact O-SG 3.07Å; Q63-E176 PolarHBondContact NE2-O 2.86Å |
| 64 | L | 96.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.4 | 179.4 | 64.9 | 0 | 0 | 0 | 111.4 | V46 V48 R49 P50 Y60 Q61 Y62 C67 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.23Å; V48-L64 WeakPolarHBondContact O-CD1 3.48Å; R49-L64 HydrophobicContact CB-CD1 4.46Å; R49-L64 HydrophobicContact CG-CD1 4.14Å; P50-L64 HydrophobicContact CG-CB 4.38Å; Y60-L64 HydrophobicContact CE1-CD2 4.29Å; Y60-L64 VanDerWaalsContact O-CB 3.28Å; Y60-L64 WeakPolarHBondContact O-CB 3.44Å; Y60-L64 PolarHBondContact O-N 2.98Å; Q61-L64 PolarHBondContact O-N 3.41Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 2.87Å; L64-C67 PolarHBondContact O-SG 2.93Å; L64-N68 PolarHBondContact O-N 2.94Å; L64-N68 PolarHBondContact O-ND2 3.44Å; L64-Y160 PolarHBondContact O-OH 2.87Å |
| 65 | L | 97.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -53.9 | 173.1 | 177.7 | 167.7 | 0 | 0 | 0 | 110.6 | Q61 Y62 C67 N68 V69 G159 Y160 L174 L262 | Q61-L65 WeakPolarHBondContact O-CB 3.36Å; Q61-L65 PolarHBondContact O-N 3.17Å; Y62-L65 WeakPolarHBondContact O-CB 3.46Å; Y62-L65 PolarHBondContact O-N 3.32Å; L65-C67 PolarHBondContact O-N 3.42Å; L65-N68 PolarHBondContact O-N 2.9Å; L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.18Å; L65-V69 WeakPolarHBondContact O-CB 3.39Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.98Å; L65-G159 WeakPolarHBondContact CD1-O 3.47Å; L65-Y160 HydrophobicContact CB-CE1 4.41Å; L65-Y160 HydrophobicContact CB-CE2 4.1Å; L65-Y160 HydrophobicContact CD1-CD2 4.33Å; L65-Y160 HydrophobicContact CG-CD1 4.32Å; L65-Y160 HydrophobicContact CG-CD2 4.23Å; L65-Y160 HydrophobicContact CG-CE1 4.39Å; L65-Y160 HydrophobicContact CG-CE2 4.28Å; L65-Y160 HydrophobicContact CG-CG 4.25Å; L65-L174 HydrophobicContact CD2-CD1 3.61Å; L65-L262 HydrophobicContact CD1-CD1 3.7Å |
| 66 | R | 97.9 | Very high | 95 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 16% | 0.155 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.2 | -50.7 | -175.9 | -169.6 | -176.6 | 70.9 | 106.2 | -10.9 | 112.1 | Y62 Q63 N68 D70 L174 P175 | Y62-R66 HydrophobicContact CE1-CB 4.42Å; Y62-R66 VanDerWaalsContact O-CB 3.32Å; Y62-R66 WeakPolarHBondContact O-CB 3.37Å; Y62-R66 PolarHBondContact O-N 3.26Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.09Å; R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 PolarHBondContact O-N 3.23Å; R66-D70 WeakPolarHBondContact O-CB 3.32Å; R66-D70 PolarHBondContact O-N 2.74Å; R66-L174 HydrophobicContact CG-CB 3.8Å; R66-P175 WeakPolarHBondContact CD-O 3.27Å |
| 67 | C | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -32.7 | -175.6 | 67.6 | 0 | 0 | 0 | 0 | 113 | V48 Q63 L64 L65 L71 | V48-C67 HydrophobicContact CG2-CB 4.22Å; Q63-C67 WeakPolarHBondContact O-CB 3.49Å; Q63-C67 PolarHBondContact O-N 3.47Å; Q63-C67 PolarHBondContact O-SG 3.07Å; L64-C67 PolarHBondContact O-SG 2.93Å; L65-C67 PolarHBondContact O-N 3.42Å; C67-L71 VanDerWaalsContact O-CB 3.25Å; C67-L71 WeakPolarHBondContact O-CB 3.46Å; C67-L71 PolarHBondContact O-N 2.84Å |
| 68 | N | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -80.1 | -43.5 | 178 | -74.2 | -83.5 | 0 | 0 | 0 | 111.7 | V46 V47 V48 L64 L65 R66 D70 L71 L72 Y160 | V46-N68 WeakPolarHBondContact CA-OD1 3.43Å; V47-N68 PolarHBondContact N-OD1 2.87Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.41Å; V48-N68 PolarHBondContact N-OD1 3.04Å; V48-N68 PolarHBondContact O-ND2 3.19Å; L64-N68 PolarHBondContact O-N 2.94Å; L64-N68 PolarHBondContact O-ND2 3.44Å; L65-N68 PolarHBondContact O-N 2.9Å; R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 PolarHBondContact O-N 3.23Å; N68-D70 VanDerWaalsContact C-N 3.34Å; N68-D70 PolarHBondContact O-N 2.89Å; N68-L71 PolarHBondContact O-N 3.06Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.26Å; N68-L72 WeakPolarHBondContact O-CB 3.23Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.36Å; N68-Y160 HydrophobicContact CB-CE1 4.08Å |
| 69 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L65 L71 Y160 Y164 K167 L174 | L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.18Å; L65-V69 WeakPolarHBondContact O-CB 3.39Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.98Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.36Å; V69-Y160 HydrophobicContact CG2-CD1 3.78Å; V69-Y160 HydrophobicContact CG2-CE1 4.27Å; V69-Y164 HydrophobicContact CG1-CD1 4.06Å; V69-Y164 HydrophobicContact CG1-CE1 4.26Å; V69-Y164 HydrophobicContact CG1-CG 4.25Å; V69-Y164 HydrophobicContact CG2-CD2 4.2Å; V69-Y164 HydrophobicContact CG2-CE2 3.99Å; V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.9Å; V69-K167 VanDerWaalsContact O-CD 3.26Å; V69-K167 WeakPolarHBondContact O-CD 3.46Å; V69-K167 PolarHBondContact O-NZ 3.4Å; V69-L174 HydrophobicContact CB-CD1 3.85Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.2Å; V69-L174 HydrophobicContact CG2-CD1 4.44Å |
| 70 | D | 98 | Very high | 97.5 | Very high | 25 Ų | 25 | 21.9 Ų | 21.9 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.2 | -83.1 | -4 | 0 | 0 | 0 | 111.8 | R66 N68 K167 R173 L174 | R66-D70 WeakPolarHBondContact O-CB 3.32Å; R66-D70 PolarHBondContact O-N 2.74Å; N68-D70 VanDerWaalsContact C-N 3.34Å; N68-D70 PolarHBondContact O-N 2.89Å; D70-K167 PolarHBondContact O-NZ 3.13Å; D70-R173 WeakPolarHBondContact OD1-CA 3.45Å; D70-R173 IonicContact OD2-CZ 3.31Å; D70-R173 VanDerWaalsContact OD2-CZ 3.31Å; D70-R173 IonicContact OD2-NE 2.76Å; D70-R173 PolarHBondContact OD2-NE 2.88Å; D70-R173 IonicContact OD2-NH2 3.91Å; D70-R173 PolarHBondContact OD2-NH2 3.06Å; D70-L174 PolarHBondContact OD1-N 2.94Å |
| 71 | L | 97.2 | Very high | 97.8 | Very high | 66 Ų | 66 | 19.2 Ų | 19.2 | 35% | 0.346 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -81.5 | -35.4 | -171.4 | -170.3 | 68.1 | 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 4.03Å; C67-L71 VanDerWaalsContact O-CB 3.25Å; C67-L71 WeakPolarHBondContact O-CB 3.46Å; C67-L71 PolarHBondContact O-N 2.84Å; N68-L71 PolarHBondContact O-N 3.06Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 3.36Å; L71-M107 HydrophobicContact CD1-CE 3.24Å; L71-M107 HydrophobicContact CD1-SD 3.8Å; L71-M107 HydrophobicContact CD2-CE 4.33Å; L71-M107 HydrophobicContact CD2-SD 3.98Å; L71-M107 HydrophobicContact CG-CE 3.51Å; L71-M107 HydrophobicContact CG-SD 3.83Å |
| 72 | L | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -100 | 161.9 | -171 | -60 | 176.2 | 0 | 0 | 0 | 111.6 | P44 G45 V47 N68 M107 Y164 K167 | P44-L72 HydrophobicContact CG-CB 4.01Å; P44-L72 HydrophobicContact CG-CD1 4.23Å; P44-L72 HydrophobicContact CG-CD2 4.1Å; P44-L72 HydrophobicContact CG-CG 4.34Å; G45-L72 WeakPolarHBondContact O-CD1 3.29Å; V47-L72 HydrophobicContact CG1-CD1 4.49Å; V47-L72 HydrophobicContact CG1-CD2 4.19Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.78Å; V47-L72 HydrophobicContact CG2-CG 4.21Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.26Å; N68-L72 WeakPolarHBondContact O-CB 3.23Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.36Å; L72-M107 HydrophobicContact CD2-CB 3.8Å; L72-M107 VanDerWaalsContact CD2-O 3.27Å; L72-M107 WeakPolarHBondContact CD2-O 3.29Å; L72-Y164 WeakPolarHBondContact CB-OH 3.33Å; L72-K167 PolarHBondContact O-NZ 3.37Å |
| 73 | K | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 16.6 Ų | 16.6 | 43% | 0.426 | 8% | 0.081 | S | C | . | . | trans | -106.6 | 142.4 | 175.7 | -66.7 | -175.8 | -177.4 | 168.3 | 0 | 110.3 | P44 F101 D106 | P44-K73 WeakPolarHBondContact CD-O 3.37Å; K73-F101 HydrophobicContact CB-CD2 3.96Å; K73-F101 HydrophobicContact CB-CE2 4.02Å; K73-D106 WeakPolarHBondContact CD-OD1 3.49Å; K73-D106 WeakPolarHBondContact CE-OD1 3.29Å; K73-D106 IonicContact NZ-OD1 3.86Å; K73-D106 PolarHBondContact NZ-OD1 2.8Å; K73-D106 IonicContact NZ-OD2 3.61Å | ||
| 74 | I | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.051 | 11% | 0.105 | C | C | . | . | trans | -66.3 | 145.8 | 169.6 | -171.9 | 169.8 | 0 | 0 | 0 | 109.9 | T41 Q76 L77 F99 T133 Y164 | T41-I74 HydrophobicContact CG2-CD1 3.85Å; I74-Q76 WeakPolarHBondContact CG1-O 3.34Å; I74-L77 HydrophobicContact CD1-CB 4.28Å; I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.24Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.02Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.44Å; I74-F99 HydrophobicContact CG2-CD2 3.75Å; I74-F99 HydrophobicContact CG2-CE2 4.15Å; I74-F99 HydrophobicContact CG2-CG 4.06Å; I74-T133 HydrophobicContact CG2-CG2 4Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.3Å; I74-Y164 HydrophobicContact CB-CG 4.22Å | ||
| 75 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -111 | -45.8 | -180 | -57.2 | 164.4 | 0 | 0 | 0 | 110.6 | E42 P44 F99 F101 I113 L116 L121 F123 H126 | E42-I75 WeakPolarHBondContact O-CA 3.37Å; E42-I75 WeakPolarHBondContact O-CB 3.2Å; E42-I75 PolarHBondContact O-N 3.21Å; P44-I75 HydrophobicContact CB-CD1 4.13Å; P44-I75 HydrophobicContact CG-CD1 4.47Å; I75-F99 PolarHBondContact O-N 2.92Å; I75-F101 HydrophobicContact CD1-CD2 4.41Å; I75-F101 HydrophobicContact CD1-CE1 4.43Å; I75-F101 HydrophobicContact CD1-CE2 4.27Å; I75-F101 HydrophobicContact CD1-CZ 4.29Å; I75-F101 HydrophobicContact CG1-CB 4.47Å; I75-F101 HydrophobicContact CG1-CD1 4.39Å; I75-F101 HydrophobicContact CG1-CD2 3.67Å; I75-F101 HydrophobicContact CG1-CE2 3.92Å; I75-F101 HydrophobicContact CG1-CG 3.93Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; I75-I113 HydrophobicContact CD1-CD1 4.45Å; I75-L116 HydrophobicContact CD1-CD1 3.69Å; I75-L121 HydrophobicContact CG2-CD2 3.64Å; I75-F123 HydrophobicContact CD1-CE1 4.11Å; I75-F123 HydrophobicContact CG2-CE1 4.36Å; I75-H126 PolarHBondContact O-CE1 2.83Å; I75-H126 VanDerWaalsContact O-CE1 3.3Å | ||
| 76 | Q | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.4 | 173.7 | -63.6 | -176.3 | -41.9 | 0 | 0 | 112.6 | T41 E42 I74 F97 N98 L121 A227 | T41-Q76 WeakPolarHBondContact CA-O 3.48Å; T41-Q76 WeakPolarHBondContact CB-O 3.49Å; E42-Q76 HydrophobicContact CB-CB 4.07Å; E42-Q76 HydrophobicContact CG-CB 4.4Å; E42-Q76 PolarHBondContact N-O 2.89Å; E42-Q76 PolarHBondContact O-N 2.89Å; I74-Q76 WeakPolarHBondContact CG1-O 3.34Å; Q76-F97 WeakPolarHBondContact CA-O 3.27Å; Q76-N98 PolarHBondContact NE2-OD1 2.92Å; Q76-L121 HydrophobicContact CG-CD2 4.24Å; Q76-A227 HydrophobicContact CB-CB 3.71Å |
| 77 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.5 | 165.6 | 168.9 | 70.3 | 0 | 0 | 0 | 108.5 | M39 T41 I74 L79 F97 F99 F136 M165 | M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.89Å; T41-L77 HydrophobicContact CG2-CD1 3.74Å; I74-L77 HydrophobicContact CD1-CB 4.28Å; L77-L79 HydrophobicContact CD1-CD2 4.01Å; L77-L79 HydrophobicContact CD2-CD1 4.34Å; L77-L79 HydrophobicContact CD2-CD2 4.33Å; L77-L79 HydrophobicContact CD2-CG 4.23Å; L77-L79 HydrophobicContact CG-CD2 4.19Å; L77-L79 HydrophobicContact CG-CG 4.15Å; L77-F97 HydrophobicContact CB-CB 4.32Å; L77-F97 HydrophobicContact CB-CD2 4.47Å; L77-F97 HydrophobicContact CD2-CD2 4.25Å; L77-F97 HydrophobicContact CG-CD2 4.31Å; L77-F97 PolarHBondContact N-O 3.02Å; L77-F97 PolarHBondContact O-N 2.99Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.14Å; L77-F99 HydrophobicContact CD2-CZ 4.49Å; L77-F136 HydrophobicContact CD2-CE1 3.78Å; L77-F136 HydrophobicContact CD2-CE2 4.44Å; L77-F136 HydrophobicContact CD2-CZ 3.47Å; L77-F136 VanDerWaalsContact CD2-CZ 3.47Å; L77-M165 HydrophobicContact CD1-SD 3.86Å; L77-M165 HydrophobicContact CD2-CE 4.27Å; L77-M165 HydrophobicContact CD2-SD 3.82Å; L77-M165 HydrophobicContact CG-SD 4.49Å |
| 78 | G | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M39 D40 W95 A227 S231 | M39-G78 VanDerWaalsContact CA-O 3.29Å; M39-G78 WeakPolarHBondContact CA-O 3.22Å; D40-G78 PolarHBondContact N-O 3.3Å; D40-G78 PolarHBondContact O-N 2.78Å; G78-W95 CarbonylContact C-O 3.6Å; G78-W95 WeakPolarHBondContact CA-O 3.36Å; G78-A227 WeakPolarHBondContact CA-O 3.46Å; G78-S231 WeakPolarHBondContact O-CB 3.48Å |
| 79 | L | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.9 | 172.5 | -61.2 | -177.4 | 0 | 0 | 0 | 109.6 | I37 A38 M39 L77 F81 T94 W95 F97 W153 | I37-L79 HydrophobicContact CG2-CB 4.3Å; I37-L79 HydrophobicContact CG2-CD2 3.99Å; A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.43Å; M39-L79 HydrophobicContact CB-CD2 3.9Å; M39-L79 HydrophobicContact CG-CD2 3.65Å; L77-L79 HydrophobicContact CD1-CD2 4.01Å; L77-L79 HydrophobicContact CD2-CD1 4.34Å; L77-L79 HydrophobicContact CD2-CD2 4.33Å; L77-L79 HydrophobicContact CD2-CG 4.23Å; L77-L79 HydrophobicContact CG-CD2 4.19Å; L77-L79 HydrophobicContact CG-CG 4.15Å; L79-F81 HydrophobicContact CB-CE2 3.79Å; L79-F81 HydrophobicContact CB-CZ 4.3Å; L79-F81 HydrophobicContact CD1-CZ 4.48Å; L79-T94 CarbonylContact O-C 3.56Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.34Å; L79-W95 PolarHBondContact N-O 2.81Å; L79-W95 PolarHBondContact O-N 2.91Å; L79-F97 HydrophobicContact CB-CE2 4.35Å; L79-F97 HydrophobicContact CD1-CE2 3.8Å; L79-F97 HydrophobicContact CG-CE2 4.04Å; L79-W153 HydrophobicContact CD2-CH2 4.03Å; L79-W153 HydrophobicContact CD2-CZ3 3.73Å |
| 80 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.7 | 175.5 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | I37 A38 Y88 N93 T94 S231 L232 | I37-T80 CarbonylContact C-O 3.59Å; I37-T80 WeakPolarHBondContact CA-O 3.41Å; A38-T80 PolarHBondContact N-O 3.35Å; A38-T80 PolarHBondContact O-N 2.79Å; T80-Y88 HydrophobicContact CG2-CD1 4.39Å; T80-Y88 HydrophobicContact CG2-CE1 3.95Å; T80-N93 CarbonylContact C-O 3.56Å; T80-N93 WeakPolarHBondContact CA-O 3.36Å; T80-T94 WeakPolarHBondContact OG1-CB 3.33Å; T80-T94 VanDerWaalsContact OG1-CG2 3.29Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.33Å; T80-T94 PolarHBondContact OG1-OG1 3.14Å; T80-S231 PolarHBondContact OG1-OG 2.8Å; T80-L232 HydrophobicContact CG2-CB 4.41Å; T80-L232 HydrophobicContact CG2-CD1 3.66Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.35Å; T80-L232 PolarHBondContact OG1-N 2.8Å |
| 81 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131 | -174.9 | -66.2 | -100.9 | 0 | 0 | 0 | 111.3 | I27 I30 V31 I37 L79 P89 N93 W95 V145 | I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CD1-CE2 4.47Å; I27-F81 HydrophobicContact CG1-CE2 4.19Å; I27-F81 HydrophobicContact CG1-CZ 4.24Å; I27-F81 HydrophobicContact CG2-CE1 4.08Å; I27-F81 HydrophobicContact CG2-CE2 4.38Å; I27-F81 HydrophobicContact CG2-CZ 3.59Å; I30-F81 HydrophobicContact CG2-CB 3.69Å; I30-F81 HydrophobicContact CG2-CD1 3.95Å; I30-F81 HydrophobicContact CG2-CG 3.84Å; V31-F81 HydrophobicContact CB-CE1 4.24Å; V31-F81 HydrophobicContact CG2-CE1 4.4Å; I37-F81 HydrophobicContact CD1-CD1 4.16Å; I37-F81 HydrophobicContact CD1-CE1 3.59Å; I37-F81 HydrophobicContact CD1-CZ 4.29Å; I37-F81 HydrophobicContact CG1-CD1 3.89Å; I37-F81 HydrophobicContact CG1-CE1 3.82Å; I37-F81 HydrophobicContact CG2-CE1 4.44Å; I37-F81 HydrophobicContact CG2-CZ 4.43Å; L79-F81 HydrophobicContact CB-CE2 3.79Å; L79-F81 HydrophobicContact CB-CZ 4.3Å; L79-F81 HydrophobicContact CD1-CZ 4.48Å; F81-P89 VanDerWaalsContact O-CD 3.23Å; F81-P89 WeakPolarHBondContact O-CD 3.41Å; F81-N93 PolarHBondContact N-O 2.63Å; F81-W95 AromaticContact CD2-CE3 3.54Å; F81-W95 HydrophobicContact CD2-CE3 3.54Å; F81-W95 AromaticContact CD2-CZ3 3.47Å; F81-W95 HydrophobicContact CD2-CZ3 3.47Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.47Å; F81-W95 AromaticContact CE2-CE3 3.62Å; F81-W95 HydrophobicContact CE2-CE3 3.62Å; F81-W95 AromaticContact CE2-CZ3 3.95Å; F81-W95 HydrophobicContact CE2-CZ3 3.95Å; F81-W95 HydrophobicContact CG-CZ3 4.31Å; F81-V145 HydrophobicContact CE1-CG2 4.2Å; F81-V145 HydrophobicContact CZ-CG2 4.32Å |
| 82 | T | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 161.4 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | Y34 S35 Y36 E87 Y88 F239 | Y34-T82 CarbonylContact C-O 3.53Å; Y34-T82 WeakPolarHBondContact CA-O 3.29Å; Y34-T82 WeakPolarHBondContact CB-O 3.39Å; S35-T82 PolarHBondContact N-O 2.8Å; Y36-T82 WeakPolarHBondContact CB-O 3.4Å; Y36-T82 WeakPolarHBondContact CB-OG1 3.27Å; Y36-T82 PolarHBondContact N-O 3.13Å; Y36-T82 PolarHBondContact O-N 2.87Å; Y36-T82 PolarHBondContact O-OG1 3.45Å; T82-E87 WeakPolarHBondContact CA-O 3.5Å; T82-Y88 HydrophobicContact CG2-CD1 3.52Å; T82-Y88 HydrophobicContact CG2-CE1 3.35Å; T82-Y88 HydrophobicContact CG2-CG 4.43Å; T82-F239 HydrophobicContact CG2-CE2 4.23Å; T82-F239 VanDerWaalsContact OG1-CE2 3.29Å; T82-F239 WeakPolarHBondContact OG1-CE2 3.27Å |
| 83 | N | 97.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | -92 | -178.9 | 169.4 | 72 | 13.1 | 0 | 0 | 0 | 110.9 | Y34 K85 G86 E87 F239 | Y34-N83 HydrophobicContact CD1-CB 3.95Å; Y34-N83 HydrophobicContact CE1-CB 4.3Å; N83-K85 PolarHBondContact O-N 3.36Å; N83-K85 WeakPolarHBondContact OD1-CA 3.33Å; N83-K85 WeakPolarHBondContact OD1-CB 3.49Å; N83-K85 PolarHBondContact OD1-N 2.97Å; N83-G86 PolarHBondContact O-N 3.05Å; N83-G86 PolarHBondContact OD1-N 3.09Å; N83-E87 PolarHBondContact N-O 3.39Å; N83-E87 PolarHBondContact ND2-OE2 3.49Å; N83-E87 WeakPolarHBondContact OD1-CB 3.45Å; N83-E87 PolarHBondContact OD1-N 3.44Å; N83-F239 VanDerWaalsContact O-CZ 3.29Å; N83-F239 WeakPolarHBondContact O-CZ 3.4Å | ||
| 84 | E | 96.4 | Very high | 97.2 | Very high | 132 Ų | 132 | 37.1 Ų | 37.1 | 62% | 0.617 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.2 | -178.9 | -176.8 | 175.8 | -162.5 | 0 | 0 | 114.7 | Y36 F239 | Y36-E84 HydrophobicContact CD2-CB 4.44Å; Y36-E84 HydrophobicContact CE2-CB 3.83Å; Y36-E84 HydrophobicContact CE2-CG 4.14Å; E84-F239 WeakPolarHBondContact O-CE1 3.45Å |
| 85 | K | 95.6 | Very high | 97.2 | Very high | 160 Ų | 160 | 36.7 Ų | 36.7 | 70% | 0.696 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.2 | 178.1 | -59.8 | -179.6 | -177.3 | 175.3 | 0 | 113.3 | N83 E87 | N83-K85 PolarHBondContact O-N 3.36Å; N83-K85 WeakPolarHBondContact OD1-CA 3.33Å; N83-K85 WeakPolarHBondContact OD1-CB 3.49Å; N83-K85 PolarHBondContact OD1-N 2.97Å; K85-E87 VanDerWaalsContact C-N 3.32Å; K85-E87 HydrophobicContact CB-CG 4.06Å |
| 86 | G | 96.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 77.1 | 18.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | N83 F239 | N83-G86 PolarHBondContact O-N 3.05Å; N83-G86 PolarHBondContact OD1-N 3.09Å; G86-F239 VanDerWaalsContact CA-CZ 3.47Å; G86-F239 VanDerWaalsContact N-CE1 3.25Å |
| 87 | E | 97.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -83.1 | 141.8 | 174.5 | -55.4 | 163.6 | 169.9 | 0 | 0 | 109.8 | Y34 T82 N83 K85 | Y34-E87 WeakPolarHBondContact CD1-O 3.44Å; Y34-E87 WeakPolarHBondContact CE1-O 3.41Å; T82-E87 WeakPolarHBondContact CA-O 3.5Å; N83-E87 PolarHBondContact N-O 3.39Å; N83-E87 PolarHBondContact ND2-OE2 3.49Å; N83-E87 WeakPolarHBondContact OD1-CB 3.45Å; N83-E87 PolarHBondContact OD1-N 3.44Å; K85-E87 VanDerWaalsContact C-N 3.32Å; K85-E87 HydrophobicContact CB-CG 4.06Å |
| 88 | Y | 96.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -91.5 | 154.6 | 179.7 | -59.2 | -76.1 | 0 | 0 | 0 | 112.1 | T80 T82 N93 L232 M236 | T80-Y88 HydrophobicContact CG2-CD1 4.39Å; T80-Y88 HydrophobicContact CG2-CE1 3.95Å; T82-Y88 HydrophobicContact CG2-CD1 3.52Å; T82-Y88 HydrophobicContact CG2-CE1 3.35Å; T82-Y88 HydrophobicContact CG2-CG 4.43Å; Y88-N93 HydrophobicContact CD1-CB 3.94Å; Y88-N93 HydrophobicContact CG-CB 4.3Å; Y88-L232 HydrophobicContact CE1-CD1 3.67Å; Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.14Å |
| 89 | P | 95 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 153.6 | 164.6 | 27.6 | -34.1 | 0 | 0 | 0 | 111.1 | I30 Y34 F81 G91 N93 | I30-P89 HydrophobicContact CD1-CB 4.48Å; I30-P89 HydrophobicContact CD1-CG 4.49Å; I30-P89 HydrophobicContact CG2-CG 4.29Å; Y34-P89 HydrophobicContact CD1-CB 4.48Å; Y34-P89 HydrophobicContact CD2-CB 4.02Å; Y34-P89 HydrophobicContact CE1-CB 4.22Å; Y34-P89 VanDerWaalsContact CE1-N 3.25Å; Y34-P89 HydrophobicContact CE2-CB 3.73Å; Y34-P89 HydrophobicContact CG-CB 4.4Å; Y34-P89 HydrophobicContact CG-CG 4.49Å; Y34-P89 VanDerWaalsContact CZ-CA 3.43Å; Y34-P89 WeakPolarHBondContact OH-CA 3.45Å; F81-P89 VanDerWaalsContact O-CD 3.23Å; F81-P89 WeakPolarHBondContact O-CD 3.41Å; P89-G91 PolarHBondContact O-N 3.29Å; P89-N93 HydrophobicContact CG-CB 3.69Å |
| 90 | S | 91.5 | Very high | 97.2 | Very high | 123 Ų | 123 | 42.4 Ų | 42.4 | 86% | 0.86 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -68.5 | 126.1 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 91 | G | 92.9 | Very high | 97.2 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 91.8 | -123.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | P89 N93 | P89-G91 PolarHBondContact O-N 3.29Å; G91-N93 PolarHBondContact O-N 3.15Å |
| 92 | I | 96.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | trans | -70.6 | 127.5 | 178.9 | -62.2 | 162.6 | 0 | 0 | 0 | 108.8 | C13 W95 | C13-I92 HydrophobicContact CB-CD1 3.96Å; C13-I92 HydrophobicContact CB-CG1 4.28Å; C13-I92 HydrophobicContact CB-CG2 3.59Å; I92-W95 HydrophobicContact CB-CH2 4.24Å; I92-W95 HydrophobicContact CB-CZ2 4.09Å; I92-W95 HydrophobicContact CG2-CD2 4.06Å; I92-W95 HydrophobicContact CG2-CE3 4.31Å; I92-W95 HydrophobicContact CG2-CH2 3.63Å; I92-W95 HydrophobicContact CG2-CZ2 3.41Å; I92-W95 VanDerWaalsContact CG2-CZ2 3.41Å; I92-W95 HydrophobicContact CG2-CZ3 4.11Å; I92-W95 WeakPolarHBondContact O-CH2 3.44Å | ||
| 93 | N | 96.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.064 | 25% | 0.247 | C | C | . | . | trans | -125.7 | -12.1 | 175.7 | 57.8 | 39.1 | 0 | 0 | 0 | 113.1 | V11 T80 F81 Y88 P89 G91 | V11-N93 PolarHBondContact O-N 2.7Å; V11-N93 PolarHBondContact O-OD1 2.81Å; T80-N93 CarbonylContact C-O 3.56Å; T80-N93 WeakPolarHBondContact CA-O 3.36Å; F81-N93 PolarHBondContact N-O 2.63Å; Y88-N93 HydrophobicContact CD1-CB 3.94Å; Y88-N93 HydrophobicContact CG-CB 4.3Å; P89-N93 HydrophobicContact CG-CB 3.69Å; G91-N93 PolarHBondContact O-N 3.15Å | ||
| 94 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.7 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 110 | V11 I12 C13 L79 T80 G228 | V11-T94 PolarHBondContact O-N 3.06Å; I12-T94 CarbonylContact C-O 3.6Å; I12-T94 WeakPolarHBondContact CA-O 3.29Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 4.12Å; I12-T94 HydrophobicContact CG2-CG2 4.07Å; C13-T94 PolarHBondContact N-O 3.31Å; L79-T94 CarbonylContact O-C 3.56Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.34Å; T80-T94 WeakPolarHBondContact OG1-CB 3.33Å; T80-T94 VanDerWaalsContact OG1-CG2 3.29Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.33Å; T80-T94 PolarHBondContact OG1-OG1 3.14Å; T94-G228 VanDerWaalsContact CG2-O 3.29Å; T94-G228 WeakPolarHBondContact CG2-O 3.43Å |
| 95 | W | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.1 | 171.8 | -73.3 | -97.2 | 0 | 0 | 0 | 109.6 | C13 V15 E23 K26 I27 I30 G78 L79 F81 I92 F97 | C13-W95 HydrophobicContact CB-CG 4.48Å; V15-W95 HydrophobicContact CG2-CB 4.09Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; E23-W95 PolarHBondContact OE2-NE1 3Å; K26-W95 HydrophobicContact CB-CZ2 4.48Å; I27-W95 HydrophobicContact CD1-CB 4.27Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.41Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.82Å; I27-W95 HydrophobicContact CG1-CE3 4.13Å; I27-W95 HydrophobicContact CG1-CG 4.26Å; I27-W95 HydrophobicContact CG1-CZ2 4.27Å; I30-W95 HydrophobicContact CD1-CH2 3.26Å; I30-W95 HydrophobicContact CD1-CZ2 3.88Å; I30-W95 HydrophobicContact CD1-CZ3 4.17Å; G78-W95 CarbonylContact C-O 3.6Å; G78-W95 WeakPolarHBondContact CA-O 3.36Å; L79-W95 PolarHBondContact N-O 2.81Å; L79-W95 PolarHBondContact O-N 2.91Å; F81-W95 AromaticContact CD2-CE3 3.54Å; F81-W95 HydrophobicContact CD2-CE3 3.54Å; F81-W95 AromaticContact CD2-CZ3 3.47Å; F81-W95 HydrophobicContact CD2-CZ3 3.47Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.47Å; F81-W95 AromaticContact CE2-CE3 3.62Å; F81-W95 HydrophobicContact CE2-CE3 3.62Å; F81-W95 AromaticContact CE2-CZ3 3.95Å; F81-W95 HydrophobicContact CE2-CZ3 3.95Å; F81-W95 HydrophobicContact CG-CZ3 4.31Å; I92-W95 HydrophobicContact CB-CH2 4.24Å; I92-W95 HydrophobicContact CB-CZ2 4.09Å; I92-W95 HydrophobicContact CG2-CD2 4.06Å; I92-W95 HydrophobicContact CG2-CE3 4.31Å; I92-W95 HydrophobicContact CG2-CH2 3.63Å; I92-W95 HydrophobicContact CG2-CZ2 3.41Å; I92-W95 VanDerWaalsContact CG2-CZ2 3.41Å; I92-W95 HydrophobicContact CG2-CZ3 4.11Å; I92-W95 WeakPolarHBondContact O-CH2 3.44Å; W95-F97 HydrophobicContact CB-CD2 4.35Å; W95-F97 HydrophobicContact CB-CE2 3.64Å; W95-F97 HydrophobicContact CB-CZ 3.86Å; W95-F97 HydrophobicContact CG-CZ 4.46Å |
| 96 | Q | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 102.7 | 173.4 | 179.8 | 161.7 | -75.7 | 0 | 0 | 108.7 | I12 C13 E14 V15 N98 | I12-Q96 HydrophobicContact CG2-CB 4.07Å; C13-Q96 PolarHBondContact O-N 3.04Å; E14-Q96 VanDerWaalsContact CD-NE2 3.35Å; E14-Q96 PolarHBondContact OE1-NE2 3Å; E14-Q96 PolarHBondContact OE2-NE2 3.12Å; V15-Q96 PolarHBondContact N-O 3.35Å; Q96-N98 PolarHBondContact O-ND2 3.3Å |
| 97 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.1 | 176.7 | -59.7 | -87.1 | 0 | 0 | 0 | 109.8 | V15 L20 M24 I27 Q76 L77 L79 W95 F99 I131 F136 | V15-F97 HydrophobicContact CB-CD1 3.69Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.35Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.91Å; V15-F97 HydrophobicContact CG2-CD1 3.98Å; V15-F97 HydrophobicContact CG2-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CZ 4.47Å; L20-F97 HydrophobicContact CD1-CD1 4.09Å; L20-F97 HydrophobicContact CD1-CE1 4Å; M24-F97 HydrophobicContact SD-CE1 4.04Å; M24-F97 HydrophobicContact SD-CZ 4.07Å; I27-F97 HydrophobicContact CD1-CE1 4.44Å; I27-F97 HydrophobicContact CD1-CE2 4.36Å; I27-F97 HydrophobicContact CD1-CZ 3.54Å; Q76-F97 WeakPolarHBondContact CA-O 3.27Å; L77-F97 HydrophobicContact CB-CB 4.32Å; L77-F97 HydrophobicContact CB-CD2 4.47Å; L77-F97 HydrophobicContact CD2-CD2 4.25Å; L77-F97 HydrophobicContact CG-CD2 4.31Å; L77-F97 PolarHBondContact N-O 3.02Å; L77-F97 PolarHBondContact O-N 2.99Å; L79-F97 HydrophobicContact CB-CE2 4.35Å; L79-F97 HydrophobicContact CD1-CE2 3.8Å; 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 3.86Å; W95-F97 HydrophobicContact CG-CZ 4.46Å; F97-F99 HydrophobicContact CB-CE2 4.17Å; F97-F99 HydrophobicContact CB-CZ 4.02Å; F97-I131 HydrophobicContact CB-CD1 3.98Å; F97-I131 HydrophobicContact CD1-CD1 3.93Å; F97-I131 HydrophobicContact CG-CD1 4.47Å; F97-F136 AromaticContact CD1-CD2 3.85Å; F97-F136 HydrophobicContact CD1-CD2 3.85Å; F97-F136 AromaticContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD2-CE2 4.09Å; F97-F136 HydrophobicContact CD2-CZ 4.48Å; F97-F136 HydrophobicContact CE1-CD2 4.07Å; F97-F136 AromaticContact CE1-CE2 3.55Å; F97-F136 HydrophobicContact CE1-CE2 3.55Å; F97-F136 HydrophobicContact CE2-CE2 4.1Å; F97-F136 HydrophobicContact CG-CD2 4.35Å; F97-F136 AromaticContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CE2 3.81Å; F97-F136 AromaticContact CZ-CE2 3.83Å; F97-F136 HydrophobicContact CZ-CE2 3.83Å |
| 98 | N | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 107.8 | -179.9 | -61.6 | -76.5 | 0 | 0 | 0 | 109.6 | E14 V15 W16 Q76 Q96 G130 I131 | E14-N98 PolarHBondContact OE2-ND2 3.25Å; V15-N98 WeakPolarHBondContact O-CB 3.46Å; V15-N98 PolarHBondContact O-N 3.38Å; V15-N98 PolarHBondContact O-ND2 2.89Å; V15-N98 VanDerWaalsContact O-ND2 3.12Å; W16-N98 HydrophobicContact CD2-CB 3.83Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.44Å; W16-N98 VanDerWaalsContact CH2-CB 3.44Å; W16-N98 HydrophobicContact CZ2-CB 3.74Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.3Å; W16-N98 HydrophobicContact CZ3-CB 3.34Å; Q76-N98 PolarHBondContact NE2-OD1 2.92Å; Q96-N98 PolarHBondContact O-ND2 3.3Å; N98-G130 WeakPolarHBondContact O-CA 3.38Å; N98-I131 WeakPolarHBondContact O-CB 3.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.44Å; N98-I131 PolarHBondContact O-N 3.06Å |
| 99 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 157.2 | -175.2 | -64.7 | -72 | 0 | 0 | 0 | 112.9 | I74 I75 L77 F97 F101 H126 I131 T133 F136 L168 | I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.24Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.02Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.44Å; I74-F99 HydrophobicContact CG2-CD2 3.75Å; I74-F99 HydrophobicContact CG2-CE2 4.15Å; I74-F99 HydrophobicContact CG2-CG 4.06Å; I75-F99 PolarHBondContact O-N 2.92Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.14Å; L77-F99 HydrophobicContact CD2-CZ 4.49Å; F97-F99 HydrophobicContact CB-CE2 4.17Å; F97-F99 HydrophobicContact CB-CZ 4.02Å; F99-F101 PolarHBondContact O-N 2.97Å; F99-H126 PolarHBondContact O-ND1 2.96Å; F99-I131 WeakPolarHBondContact CA-O 3.38Å; F99-I131 HydrophobicContact CD1-CB 3.87Å; F99-I131 HydrophobicContact CD1-CG2 3.9Å; F99-I131 HydrophobicContact CE1-CB 4.31Å; F99-I131 HydrophobicContact CE1-CG2 3.96Å; F99-T133 HydrophobicContact CB-CG2 4.41Å; F99-T133 HydrophobicContact CD1-CG2 3.72Å; F99-T133 HydrophobicContact CE1-CG2 4.27Å; F99-T133 HydrophobicContact CG-CG2 4.16Å; F99-F136 HydrophobicContact CE1-CB 3.87Å; F99-F136 AromaticContact CE1-CD1 3.89Å; F99-F136 HydrophobicContact CE1-CD1 3.89Å; F99-F136 HydrophobicContact CE1-CD2 4.28Å; F99-F136 AromaticContact CE1-CG 3.74Å; F99-F136 HydrophobicContact CE1-CG 3.74Å; F99-F136 AromaticContact CZ-CD1 3.89Å; F99-F136 HydrophobicContact CZ-CD1 3.89Å; F99-F136 HydrophobicContact CZ-CD2 4.4Å; F99-F136 HydrophobicContact CZ-CE1 4.11Å; F99-F136 HydrophobicContact CZ-CG 4.05Å; F99-F136 HydrophobicContact CZ-CZ 4.48Å; F99-L168 HydrophobicContact CE1-CD1 4.39Å; F99-L168 HydrophobicContact CZ-CD1 4.28Å |
| 100 | K | 98.8 | Very high | 97.3 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 52% | 0.522 | 27% | 0.273 | S | S | . | . | trans | -65.1 | 124.4 | 176.7 | -169 | 167.2 | -175.3 | 165.6 | 0 | 111.3 | H126 E127 I131 | K100-H126 WeakPolarHBondContact CA-O 3.22Å; K100-E127 WeakPolarHBondContact CE-O 3.29Å; K100-I131 PolarHBondContact N-O 2.94Å | ||
| 101 | F | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | trans | -148.3 | 135.6 | -178.7 | -166.2 | -93.2 | 0 | 0 | 0 | 110.4 | P44 K73 I75 F99 L103 D106 I113 F123 H126 E127 | P44-F101 HydrophobicContact CB-CE2 4.46Å; P44-F101 HydrophobicContact CB-CZ 4.03Å; P44-F101 HydrophobicContact CG-CE2 3.99Å; P44-F101 HydrophobicContact CG-CZ 4.01Å; K73-F101 HydrophobicContact CB-CD2 3.96Å; K73-F101 HydrophobicContact CB-CE2 4.02Å; I75-F101 HydrophobicContact CD1-CD2 4.41Å; I75-F101 HydrophobicContact CD1-CE1 4.43Å; I75-F101 HydrophobicContact CD1-CE2 4.27Å; I75-F101 HydrophobicContact CD1-CZ 4.29Å; I75-F101 HydrophobicContact CG1-CB 4.47Å; I75-F101 HydrophobicContact CG1-CD1 4.39Å; I75-F101 HydrophobicContact CG1-CD2 3.67Å; I75-F101 HydrophobicContact CG1-CE2 3.92Å; I75-F101 HydrophobicContact CG1-CG 3.93Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; F99-F101 PolarHBondContact O-N 2.97Å; F101-L103 HydrophobicContact CE1-CD2 3.94Å; F101-D106 HydrophobicContact CD2-CB 4.35Å; F101-D106 HydrophobicContact CE1-CB 4.33Å; F101-D106 HydrophobicContact CE2-CB 3.85Å; F101-D106 HydrophobicContact CZ-CB 3.84Å; F101-I113 HydrophobicContact CE1-CD1 4.11Å; F101-I113 HydrophobicContact CZ-CD1 4.49Å; F101-F123 HydrophobicContact CD1-CD1 4.02Å; F101-F123 HydrophobicContact CD1-CE1 4.14Å; F101-F123 HydrophobicContact CE1-CE1 4.36Å; F101-H126 HydrophobicContact CB-CB 4.19Å; F101-H126 PolarHBondContact N-O 3.35Å; F101-E127 VanDerWaalsContact O-CA 3.3Å; F101-E127 WeakPolarHBondContact O-CA 3.22Å; F101-E127 PolarHBondContact O-N 3.34Å | ||
| 102 | N | 98.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | trans | -126.9 | 115.1 | -176.8 | -171.4 | -36.6 | 0 | 0 | 0 | 111.2 | T104 E105 D106 E127 | N102-T104 PolarHBondContact O-N 3.2Å; N102-T104 VanDerWaalsContact O-N 3.13Å; N102-T104 WeakPolarHBondContact OD1-CA 3.43Å; N102-T104 VanDerWaalsContact OD1-CB 3.22Å; N102-T104 WeakPolarHBondContact OD1-CB 3.46Å; N102-T104 PolarHBondContact OD1-N 3.38Å; N102-T104 PolarHBondContact OD1-OG1 2.83Å; N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.45Å; N102-E105 PolarHBondContact O-N 2.83Å; N102-E105 PolarHBondContact OD1-N 3Å; N102-D106 PolarHBondContact N-OD2 2.84Å; N102-D106 VanDerWaalsContact O-CB 3.25Å; N102-D106 WeakPolarHBondContact O-CB 3.34Å; N102-D106 PolarHBondContact O-N 3.19Å; N102-E127 HydrophobicContact CB-CG 4.26Å; N102-E127 VanDerWaalsContact ND2-CD 3.25Å; N102-E127 PolarHBondContact ND2-OE1 3.17Å | ||
| 103 | L | 97.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.8 | -179.8 | -70.7 | 172.5 | 0 | 0 | 0 | 114.8 | F101 Y108 I113 F123 | F101-L103 HydrophobicContact CE1-CD2 3.94Å; L103-Y108 HydrophobicContact CB-CE1 4.4Å; L103-Y108 HydrophobicContact CD2-CD1 4.1Å; L103-Y108 HydrophobicContact CD2-CE1 3.92Å; L103-Y108 VanDerWaalsContact O-CE1 3.22Å; L103-Y108 WeakPolarHBondContact O-CE1 3.1Å; L103-Y108 PolarHBondContact O-OH 3.47Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CB 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.76Å; L103-I113 HydrophobicContact CD2-CG1 3.87Å; L103-I113 HydrophobicContact CD2-CG2 3.76Å; L103-F123 HydrophobicContact CD1-CB 3.65Å; L103-F123 HydrophobicContact CD1-CD1 4.32Å; L103-F123 HydrophobicContact CD1-CD2 4.14Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.27Å; L103-F123 HydrophobicContact CD2-CE1 4.49Å; L103-F123 HydrophobicContact CD2-CG 4.48Å; L103-F123 HydrophobicContact CG-CB 4.19Å; L103-F123 HydrophobicContact CG-CD1 4.23Å; L103-F123 HydrophobicContact CG-CG 4.19Å |
| 104 | T | 97.2 | Very high | 97.7 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 77% | 0.767 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -35.2 | 176.4 | -48.7 | 0 | 0 | 0 | 0 | 111.6 | N102 | N102-T104 PolarHBondContact O-N 3.2Å; N102-T104 VanDerWaalsContact O-N 3.13Å; N102-T104 WeakPolarHBondContact OD1-CA 3.43Å; N102-T104 VanDerWaalsContact OD1-CB 3.22Å; N102-T104 WeakPolarHBondContact OD1-CB 3.46Å; N102-T104 PolarHBondContact OD1-N 3.38Å; N102-T104 PolarHBondContact OD1-OG1 2.83Å |
| 105 | E | 95.9 | Very high | 97.6 | Very high | 151 Ų | 151 | 53.5 Ų | 53.5 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -35.5 | -173 | -60.4 | -172.8 | 160 | 0 | 0 | 113.1 | N102 | N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.45Å; N102-E105 PolarHBondContact O-N 2.83Å; N102-E105 PolarHBondContact OD1-N 3Å |
| 106 | D | 97.7 | Very high | 97.5 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -89.7 | 146.6 | -170.8 | -62.3 | -39.9 | 0 | 0 | 0 | 112.1 | K73 F101 N102 Y108 | K73-D106 WeakPolarHBondContact CD-OD1 3.49Å; K73-D106 WeakPolarHBondContact CE-OD1 3.29Å; K73-D106 IonicContact NZ-OD1 3.86Å; K73-D106 PolarHBondContact NZ-OD1 2.8Å; K73-D106 IonicContact NZ-OD2 3.61Å; F101-D106 HydrophobicContact CD2-CB 4.35Å; F101-D106 HydrophobicContact CE1-CB 4.33Å; F101-D106 HydrophobicContact CE2-CB 3.85Å; F101-D106 HydrophobicContact CZ-CB 3.84Å; N102-D106 PolarHBondContact N-OD2 2.84Å; N102-D106 VanDerWaalsContact O-CB 3.25Å; N102-D106 WeakPolarHBondContact O-CB 3.34Å; N102-D106 PolarHBondContact O-N 3.19Å; D106-Y108 WeakPolarHBondContact O-CD1 3.49Å; D106-Y108 WeakPolarHBondContact O-CE1 3.37Å |
| 107 | M | 97.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 49% | 0.488 | 29% | 0.291 | S | S | . | . | trans | -77.1 | 144.4 | 174.3 | -76.9 | 173.2 | -75.7 | 0 | 0 | 111.2 | L71 L72 | L71-M107 HydrophobicContact CD1-CE 3.24Å; L71-M107 HydrophobicContact CD1-SD 3.8Å; L71-M107 HydrophobicContact CD2-CE 4.33Å; L71-M107 HydrophobicContact CD2-SD 3.98Å; L71-M107 HydrophobicContact CG-CE 3.51Å; L71-M107 HydrophobicContact CG-SD 3.83Å; L72-M107 HydrophobicContact CD2-CB 3.8Å; L72-M107 VanDerWaalsContact CD2-O 3.27Å; L72-M107 WeakPolarHBondContact CD2-O 3.29Å | ||
| 108 | Y | 97.8 | Very high | 97.3 | Very high | 77 Ų | 77 | 62.4 Ų | 62.4 | 30% | 0.302 | 33% | 0.327 | S | S | . | . | trans | -158.6 | 162.7 | 177.4 | 52.7 | -93.5 | 0 | 0 | 0 | 113.1 | P44 L103 D106 I113 | P44-Y108 VanDerWaalsContact CB-CB 3.43Å; L103-Y108 HydrophobicContact CB-CE1 4.4Å; L103-Y108 HydrophobicContact CD2-CD1 4.1Å; L103-Y108 HydrophobicContact CD2-CE1 3.92Å; L103-Y108 VanDerWaalsContact O-CE1 3.22Å; L103-Y108 WeakPolarHBondContact O-CE1 3.1Å; L103-Y108 PolarHBondContact O-OH 3.47Å; D106-Y108 WeakPolarHBondContact O-CD1 3.49Å; D106-Y108 WeakPolarHBondContact O-CE1 3.37Å; Y108-I113 HydrophobicContact CD1-CG1 4.38Å; Y108-I113 HydrophobicContact CD2-CB 4.31Å; Y108-I113 HydrophobicContact CD2-CD1 4.41Å; Y108-I113 HydrophobicContact CD2-CG1 3.37Å; Y108-I113 HydrophobicContact CE2-CG1 4.07Å; Y108-I113 HydrophobicContact CG-CD1 4.12Å; Y108-I113 HydrophobicContact CG-CG1 3.55Å | ||
| 109 | S | 97.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | trans | -86.3 | 129.8 | 161.5 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | P44 D111 S112 I113 | P44-S109 WeakPolarHBondContact O-CB 3.37Å; P44-S109 PolarHBondContact O-N 3.43Å; S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 3.04Å; S109-S112 PolarHBondContact O-N 2.87Å; S109-S112 VanDerWaalsContact O-N 3.17Å; S109-I113 PolarHBondContact O-N 2.74Å; S109-I113 VanDerWaalsContact O-N 3.11Å | ||
| 110 | Q | 96 | Very high | 96.9 | Very high | 99 Ų | 99 | 64.4 Ų | 64.4 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | -179.8 | -172.3 | 63.2 | 53 | 0 | 0 | 111.8 | S112 I113 D114 | Q110-S112 PolarHBondContact O-N 3.29Å; Q110-I113 PolarHBondContact O-N 3.33Å; Q110-D114 PolarHBondContact NE2-OD1 2.65Å; Q110-D114 PolarHBondContact O-N 2.9Å |
| 111 | D | 96.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.9 | -35.3 | 179.8 | -65.5 | -12.5 | 0 | 0 | 0 | 111.9 | S109 L115 | S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 3.04Å; D111-L115 VanDerWaalsContact O-CB 3.31Å; D111-L115 WeakPolarHBondContact O-CB 3.46Å; D111-L115 PolarHBondContact O-N 2.99Å |
| 112 | S | 95.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.8 | -42.6 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | G45 S109 Q110 D114 L115 L116 | G45-S112 WeakPolarHBondContact CA-OG 3.4Å; S109-S112 PolarHBondContact O-N 2.87Å; S109-S112 VanDerWaalsContact O-N 3.17Å; Q110-S112 PolarHBondContact O-N 3.29Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 2.96Å; S112-L115 PolarHBondContact O-N 3.4Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.42Å; S112-L116 PolarHBondContact O-N 3.33Å |
| 113 | I | 97.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.046 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 174.6 | -65.5 | -53.2 | 0 | 0 | 0 | 111.2 | P44 I75 F101 L103 Y108 S109 Q110 L116 A117 F123 | P44-I113 HydrophobicContact CB-CD1 4.19Å; I75-I113 HydrophobicContact CD1-CD1 4.45Å; F101-I113 HydrophobicContact CE1-CD1 4.11Å; F101-I113 HydrophobicContact CZ-CD1 4.49Å; L103-I113 HydrophobicContact CD1-CG2 4.45Å; L103-I113 HydrophobicContact CD2-CB 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.76Å; L103-I113 HydrophobicContact CD2-CG1 3.87Å; L103-I113 HydrophobicContact CD2-CG2 3.76Å; Y108-I113 HydrophobicContact CD1-CG1 4.38Å; Y108-I113 HydrophobicContact CD2-CB 4.31Å; Y108-I113 HydrophobicContact CD2-CD1 4.41Å; Y108-I113 HydrophobicContact CD2-CG1 3.37Å; Y108-I113 HydrophobicContact CE2-CG1 4.07Å; Y108-I113 HydrophobicContact CG-CD1 4.12Å; Y108-I113 HydrophobicContact CG-CG1 3.55Å; S109-I113 PolarHBondContact O-N 2.74Å; S109-I113 VanDerWaalsContact O-N 3.11Å; Q110-I113 PolarHBondContact O-N 3.33Å; I113-L116 PolarHBondContact O-N 2.83Å; I113-A117 VanDerWaalsContact O-CB 3.27Å; I113-A117 WeakPolarHBondContact O-CB 3.25Å; I113-A117 PolarHBondContact O-N 3.44Å; I113-F123 HydrophobicContact CD1-CE1 3.77Å; I113-F123 HydrophobicContact CD1-CE2 4.48Å; I113-F123 HydrophobicContact CD1-CZ 3.62Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 HydrophobicContact CG2-CE2 3.87Å; I113-F123 HydrophobicContact CG2-CZ 4.1Å |
| 114 | D | 97.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 68.3 Ų | 68.3 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 178.6 | -69.6 | -10.8 | 0 | 0 | 0 | 111 | Q110 S112 N118 | Q110-D114 PolarHBondContact NE2-OD1 2.65Å; Q110-D114 PolarHBondContact O-N 2.9Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 2.96Å; D114-N118 VanDerWaalsContact O-CB 3.31Å; D114-N118 WeakPolarHBondContact O-CB 3.44Å; D114-N118 PolarHBondContact O-N 3.05Å; D114-N118 PolarHBondContact O-ND2 2.85Å |
| 115 | L | 96.7 | Very high | 96.7 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 41% | 0.414 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 175.8 | -176.8 | 150.1 | 0 | 0 | 0 | 111.6 | D111 S112 N118 S119 H225 | D111-L115 VanDerWaalsContact O-CB 3.31Å; D111-L115 WeakPolarHBondContact O-CB 3.46Å; D111-L115 PolarHBondContact O-N 2.99Å; S112-L115 PolarHBondContact O-N 3.4Å; L115-N118 PolarHBondContact O-N 3.04Å; L115-S119 WeakPolarHBondContact O-CB 3.17Å; L115-S119 PolarHBondContact O-N 3.19Å; L115-S119 PolarHBondContact O-OG 2.68Å; L115-H225 HydrophobicContact CD2-CB 3.95Å |
| 116 | L | 96.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -41.2 | -179.3 | -73.6 | 176.9 | 0 | 0 | 0 | 112.4 | E42 I75 S112 I113 N118 S119 G120 L121 F123 | E42-L116 HydrophobicContact CB-CD2 4.03Å; E42-L116 HydrophobicContact CG-CD2 4.07Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.45Å; I75-L116 HydrophobicContact CD1-CD1 3.69Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.42Å; S112-L116 PolarHBondContact O-N 3.33Å; I113-L116 PolarHBondContact O-N 2.83Å; L116-N118 VanDerWaalsContact C-N 3.34Å; L116-N118 PolarHBondContact O-N 3.05Å; L116-S119 CarbonylContact O-C 3.51Å; L116-S119 WeakPolarHBondContact O-CA 2.94Å; L116-S119 WeakPolarHBondContact O-CB 3.29Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.13Å; L116-G120 PolarHBondContact O-N 2.68Å; L116-G120 VanDerWaalsContact O-N 3.09Å; L116-L121 HydrophobicContact CB-CB 4.45Å; L116-L121 HydrophobicContact CB-CD2 4.07Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L116-L121 HydrophobicContact CD2-CD1 4.29Å; L116-L121 HydrophobicContact CD2-CD2 4.09Å; L116-L121 HydrophobicContact CG-CD2 4.36Å; L116-L121 PolarHBondContact O-N 2.87Å; L116-F123 HydrophobicContact CB-CE2 4.28Å; L116-F123 HydrophobicContact CB-CZ 3.89Å; L116-F123 HydrophobicContact CD1-CZ 4.36Å |
| 117 | A | 96.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | I113 S119 G120 F123 | I113-A117 VanDerWaalsContact O-CB 3.27Å; I113-A117 WeakPolarHBondContact O-CB 3.25Å; I113-A117 PolarHBondContact O-N 3.44Å; A117-S119 PolarHBondContact O-N 3Å; A117-G120 WeakPolarHBondContact O-CA 3.37Å; A117-G120 PolarHBondContact O-N 3.03Å; A117-F123 HydrophobicContact CB-CD2 4.43Å; A117-F123 HydrophobicContact CB-CE2 4.04Å |
| 118 | N | 96.6 | Very high | 96.9 | Very high | 143 Ų | 143 | 61.7 Ų | 61.7 | 77% | 0.765 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -28.3 | 175.4 | -71.8 | -34.3 | 0 | 0 | 0 | 112.6 | D114 L115 L116 G120 | D114-N118 VanDerWaalsContact O-CB 3.31Å; D114-N118 WeakPolarHBondContact O-CB 3.44Å; D114-N118 PolarHBondContact O-N 3.05Å; D114-N118 PolarHBondContact O-ND2 2.85Å; L115-N118 PolarHBondContact O-N 3.04Å; L116-N118 VanDerWaalsContact C-N 3.34Å; L116-N118 PolarHBondContact O-N 3.05Å; N118-G120 PolarHBondContact O-N 3.37Å |
| 119 | S | 94.1 | Very high | 97 | Very high | 21 Ų | 21 | 62 Ų | 62 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.5 | 174 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | L115 L116 A117 H225 Q226 | L115-S119 WeakPolarHBondContact O-CB 3.17Å; L115-S119 PolarHBondContact O-N 3.19Å; L115-S119 PolarHBondContact O-OG 2.68Å; L116-S119 CarbonylContact O-C 3.51Å; L116-S119 WeakPolarHBondContact O-CA 2.94Å; L116-S119 WeakPolarHBondContact O-CB 3.29Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.13Å; A117-S119 PolarHBondContact O-N 3Å; S119-H225 WeakPolarHBondContact OG-CB 3.37Å; S119-Q226 PolarHBondContact O-NE2 2.89Å |
| 120 | G | 95.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 18.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115 | L116 A117 N118 | L116-G120 PolarHBondContact O-N 2.68Å; L116-G120 VanDerWaalsContact O-N 3.09Å; A117-G120 WeakPolarHBondContact O-CA 3.37Å; A117-G120 PolarHBondContact O-N 3.03Å; N118-G120 PolarHBondContact O-N 3.37Å |
| 121 | L | 95.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | trans | -67.3 | 134.2 | 170.4 | -88.1 | 69.4 | 0 | 0 | 0 | 110.5 | I75 Q76 L116 F123 Q226 | I75-L121 HydrophobicContact CG2-CD2 3.64Å; Q76-L121 HydrophobicContact CG-CD2 4.24Å; L116-L121 HydrophobicContact CB-CB 4.45Å; L116-L121 HydrophobicContact CB-CD2 4.07Å; L116-L121 HydrophobicContact CD1-CD2 4.25Å; L116-L121 HydrophobicContact CD2-CD1 4.29Å; L116-L121 HydrophobicContact CD2-CD2 4.09Å; L116-L121 HydrophobicContact CG-CD2 4.36Å; L116-L121 PolarHBondContact O-N 2.87Å; L121-F123 HydrophobicContact CB-CE2 4.29Å; L121-F123 HydrophobicContact CB-CZ 4.39Å; L121-Q226 HydrophobicContact CD1-CG 3.78Å | ||
| 122 | Q | 95.8 | Very high | 97.3 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | trans | -101.3 | 79.5 | -177.6 | -65.7 | 178.2 | -11.8 | 0 | 0 | 109.6 | Q124 K125 H126 | Q122-Q124 PolarHBondContact O-N 2.84Å; Q122-Q124 VanDerWaalsContact O-N 3.16Å; Q122-K125 HydrophobicContact CB-CB 3.91Å; Q122-K125 WeakPolarHBondContact O-CA 3.22Å; Q122-K125 WeakPolarHBondContact O-CB 3.35Å; Q122-K125 PolarHBondContact O-N 3.21Å; Q122-H126 PolarHBondContact O-CD2 2.71Å; Q122-H126 PolarHBondContact O-N 2.92Å; Q122-H126 VanDerWaalsContact O-N 3.08Å | ||
| 123 | F | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.6 | -35.6 | -173.5 | -73.7 | -73 | 0 | 0 | 0 | 114.4 | I75 F101 L103 I113 L116 A117 L121 K125 H126 E127 | I75-F123 HydrophobicContact CD1-CE1 4.11Å; I75-F123 HydrophobicContact CG2-CE1 4.36Å; F101-F123 HydrophobicContact CD1-CD1 4.02Å; F101-F123 HydrophobicContact CD1-CE1 4.14Å; F101-F123 HydrophobicContact CE1-CE1 4.36Å; L103-F123 HydrophobicContact CD1-CB 3.65Å; L103-F123 HydrophobicContact CD1-CD1 4.32Å; L103-F123 HydrophobicContact CD1-CD2 4.14Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.27Å; L103-F123 HydrophobicContact CD2-CE1 4.49Å; L103-F123 HydrophobicContact CD2-CG 4.48Å; L103-F123 HydrophobicContact CG-CB 4.19Å; L103-F123 HydrophobicContact CG-CD1 4.23Å; L103-F123 HydrophobicContact CG-CG 4.19Å; I113-F123 HydrophobicContact CD1-CE1 3.77Å; I113-F123 HydrophobicContact CD1-CE2 4.48Å; I113-F123 HydrophobicContact CD1-CZ 3.62Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 HydrophobicContact CG2-CE2 3.87Å; I113-F123 HydrophobicContact CG2-CZ 4.1Å; L116-F123 HydrophobicContact CB-CE2 4.28Å; L116-F123 HydrophobicContact CB-CZ 3.89Å; L116-F123 HydrophobicContact CD1-CZ 4.36Å; A117-F123 HydrophobicContact CB-CD2 4.43Å; A117-F123 HydrophobicContact CB-CE2 4.04Å; L121-F123 HydrophobicContact CB-CE2 4.29Å; L121-F123 HydrophobicContact CB-CZ 4.39Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.13Å; F123-H126 WeakPolarHBondContact O-CB 3.35Å; F123-H126 PolarHBondContact O-N 3.48Å; F123-E127 PolarHBondContact O-N 2.94Å |
| 124 | Q | 98.2 | Very high | 97.5 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.8 | -39.7 | 173.5 | -175.5 | 176.7 | 4.9 | 0 | 0 | 111.8 | Q122 E127 E128 | Q122-Q124 PolarHBondContact O-N 2.84Å; Q122-Q124 VanDerWaalsContact O-N 3.16Å; Q124-E127 WeakPolarHBondContact O-CB 3.11Å; Q124-E127 PolarHBondContact O-N 3.5Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.39Å; Q124-E128 PolarHBondContact NE2-OE1 3.08Å; Q124-E128 WeakPolarHBondContact O-CG 3.5Å; Q124-E128 PolarHBondContact O-N 2.94Å; Q124-E128 VanDerWaalsContact O-N 3.08Å |
| 125 | K | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.3 | -35.3 | 177.4 | -164.1 | 179.6 | 178.7 | -165 | 0 | 112 | W16 Q122 F123 E127 E128 E129 G130 | W16-K125 HydrophobicContact CD2-CD 4.27Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 4.04Å; W16-K125 HydrophobicContact CH2-CD 3.7Å; W16-K125 HydrophobicContact CH2-CG 3.8Å; W16-K125 HydrophobicContact CZ2-CD 3.63Å; W16-K125 HydrophobicContact CZ2-CG 4.23Å; W16-K125 HydrophobicContact CZ3-CB 4.12Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.71Å; W16-K125 VanDerWaalsContact NE1-NZ 3.17Å; Q122-K125 HydrophobicContact CB-CB 3.91Å; Q122-K125 WeakPolarHBondContact O-CA 3.22Å; Q122-K125 WeakPolarHBondContact O-CB 3.35Å; Q122-K125 PolarHBondContact O-N 3.21Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.13Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 2.91Å; K125-E128 PolarHBondContact O-N 2.82Å; K125-E129 WeakPolarHBondContact CE-OE2 3.45Å; K125-E129 HydrophobicContact CG-CB 4.16Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 2.81Å; K125-E129 WeakPolarHBondContact O-CA 3.48Å; K125-E129 WeakPolarHBondContact O-CB 3.27Å; K125-E129 PolarHBondContact O-N 3.12Å; K125-G130 PolarHBondContact O-N 3.12Å |
| 126 | H | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 170.3 | -77.6 | -93.1 | 0 | 0 | 0 | 111.6 | I75 F99 K100 F101 Q122 F123 G130 | I75-H126 PolarHBondContact O-CE1 2.83Å; I75-H126 VanDerWaalsContact O-CE1 3.3Å; F99-H126 PolarHBondContact O-ND1 2.96Å; K100-H126 WeakPolarHBondContact CA-O 3.22Å; F101-H126 HydrophobicContact CB-CB 4.19Å; F101-H126 PolarHBondContact N-O 3.35Å; Q122-H126 PolarHBondContact O-CD2 2.71Å; Q122-H126 PolarHBondContact O-N 2.92Å; Q122-H126 VanDerWaalsContact O-N 3.08Å; F123-H126 WeakPolarHBondContact O-CB 3.35Å; F123-H126 PolarHBondContact O-N 3.48Å; H126-G130 VanDerWaalsContact O-CA 3.27Å; H126-G130 WeakPolarHBondContact O-CA 3.48Å; H126-G130 PolarHBondContact O-N 2.9Å; H126-G130 VanDerWaalsContact O-N 3.11Å |
| 127 | E | 98.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 178.1 | -175.5 | 176.2 | 174.5 | 0 | 0 | 112.3 | K100 F101 N102 F123 Q124 K125 | K100-E127 WeakPolarHBondContact CE-O 3.29Å; F101-E127 VanDerWaalsContact O-CA 3.3Å; F101-E127 WeakPolarHBondContact O-CA 3.22Å; F101-E127 PolarHBondContact O-N 3.34Å; N102-E127 HydrophobicContact CB-CG 4.26Å; N102-E127 VanDerWaalsContact ND2-CD 3.25Å; N102-E127 PolarHBondContact ND2-OE1 3.17Å; F123-E127 PolarHBondContact O-N 2.94Å; Q124-E127 WeakPolarHBondContact O-CB 3.11Å; Q124-E127 PolarHBondContact O-N 3.5Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 2.91Å |
| 128 | E | 98.4 | Very high | 97.8 | Very high | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85 | -40.5 | -172.3 | -67.3 | 173.9 | -170.1 | 0 | 0 | 113.6 | Q124 K125 | Q124-E128 WeakPolarHBondContact CG-OE1 3.39Å; Q124-E128 PolarHBondContact NE2-OE1 3.08Å; Q124-E128 WeakPolarHBondContact O-CG 3.5Å; Q124-E128 PolarHBondContact O-N 2.94Å; Q124-E128 VanDerWaalsContact O-N 3.08Å; K125-E128 PolarHBondContact O-N 2.82Å |
| 129 | E | 98.7 | Very high | 97.9 | Very high | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -123.4 | 1.3 | -168.5 | -59.5 | -179.9 | -143 | 0 | 0 | 113.8 | W16 A17 K125 | W16-E129 HydrophobicContact CE3-CB 4.07Å; A17-E129 WeakPolarHBondContact CB-O 3.31Å; A17-E129 PolarHBondContact N-O 3.17Å; K125-E129 WeakPolarHBondContact CE-OE2 3.45Å; K125-E129 HydrophobicContact CG-CB 4.16Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 2.81Å; K125-E129 WeakPolarHBondContact O-CA 3.48Å; K125-E129 WeakPolarHBondContact O-CB 3.27Å; K125-E129 PolarHBondContact O-N 3.12Å |
| 130 | G | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 52 Ų | 52 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 148.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N98 K125 H126 | N98-G130 WeakPolarHBondContact O-CA 3.38Å; K125-G130 PolarHBondContact O-N 3.12Å; H126-G130 VanDerWaalsContact O-CA 3.27Å; H126-G130 WeakPolarHBondContact O-CA 3.48Å; H126-G130 PolarHBondContact O-N 2.9Å; H126-G130 VanDerWaalsContact O-N 3.11Å |
| 131 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 133.9 | 179.2 | -65.2 | 161.5 | 0 | 0 | 0 | 110.3 | V15 W16 L20 F97 N98 F99 K100 F136 | V15-I131 HydrophobicContact CB-CD1 4.21Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å; V15-I131 WeakPolarHBondContact O-CD1 3.47Å; W16-I131 VanDerWaalsContact C-CG1 3.44Å; L20-I131 HydrophobicContact CD1-CD1 4.21Å; L20-I131 HydrophobicContact CD2-CG2 3.72Å; F97-I131 HydrophobicContact CB-CD1 3.98Å; F97-I131 HydrophobicContact CD1-CD1 3.93Å; F97-I131 HydrophobicContact CG-CD1 4.47Å; N98-I131 WeakPolarHBondContact O-CB 3.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.44Å; N98-I131 PolarHBondContact O-N 3.06Å; F99-I131 WeakPolarHBondContact CA-O 3.38Å; F99-I131 HydrophobicContact CD1-CB 3.87Å; F99-I131 HydrophobicContact CD1-CG2 3.9Å; F99-I131 HydrophobicContact CE1-CB 4.31Å; F99-I131 HydrophobicContact CE1-CG2 3.96Å; K100-I131 PolarHBondContact N-O 2.94Å; I131-F136 HydrophobicContact CG2-CB 3.76Å |
| 132 | D | 98.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 126.9 | 165.5 | 179.8 | -91.6 | 0 | 0 | 0 | 110.3 | L134 H135 F136 | D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 2.83Å; D132-L134 WeakPolarHBondContact OD1-CA 3.29Å; D132-L134 WeakPolarHBondContact OD1-CB 3.17Å; D132-L134 PolarHBondContact OD1-N 2.86Å; D132-H135 HydrophobicContact CB-CB 4.17Å; D132-H135 PolarHBondContact O-N 3.37Å; D132-H135 PolarHBondContact OD1-N 3.02Å; D132-F136 PolarHBondContact O-N 3.03Å |
| 133 | T | 98.3 | Very high | 98.4 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -30.9 | -173.8 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | I74 F99 A137 L168 | I74-T133 HydrophobicContact CG2-CG2 4Å; F99-T133 HydrophobicContact CB-CG2 4.41Å; F99-T133 HydrophobicContact CD1-CG2 3.72Å; F99-T133 HydrophobicContact CE1-CG2 4.27Å; F99-T133 HydrophobicContact CG-CG2 4.16Å; T133-A137 WeakPolarHBondContact O-CB 3.34Å; T133-A137 PolarHBondContact O-N 3.13Å; T133-L168 HydrophobicContact CG2-CD1 4.3Å |
| 134 | L | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 53.5 Ų | 53.5 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73 | -42.7 | 178.5 | -61.9 | 176.5 | 0 | 0 | 0 | 110.9 | D132 F136 A137 E138 D171 | D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 2.83Å; D132-L134 WeakPolarHBondContact OD1-CA 3.29Å; D132-L134 WeakPolarHBondContact OD1-CB 3.17Å; D132-L134 PolarHBondContact OD1-N 2.86Å; L134-F136 VanDerWaalsContact C-N 3.3Å; L134-F136 PolarHBondContact O-N 3.37Å; L134-A137 WeakPolarHBondContact O-CB 3.36Å; L134-A137 PolarHBondContact O-N 2.91Å; L134-E138 PolarHBondContact O-N 2.97Å; L134-D171 HydrophobicContact CD2-CB 3.88Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.41Å |
| 135 | H | 98.7 | Very high | 98.4 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.5 | -173.3 | -161.8 | 0 | 0 | 0 | 111.3 | E21 D132 L139 | E21-H135 IonicContact OE1-CE1 3.81Å; E21-H135 IonicContact OE1-NE2 2.82Å; D132-H135 HydrophobicContact CB-CB 4.17Å; D132-H135 PolarHBondContact O-N 3.37Å; D132-H135 PolarHBondContact OD1-N 3.02Å; H135-L139 WeakPolarHBondContact O-CG 3.36Å; H135-L139 PolarHBondContact O-N 3.38Å |
| 136 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 172.7 | 175.5 | -96 | 0 | 0 | 0 | 112.4 | L20 M24 L77 F97 F99 I131 D132 L134 E138 L139 L140 L168 | L20-F136 HydrophobicContact CD1-CD2 3.92Å; M24-F136 HydrophobicContact SD-CE2 4.36Å; L77-F136 HydrophobicContact CD2-CE1 3.78Å; L77-F136 HydrophobicContact CD2-CE2 4.44Å; L77-F136 HydrophobicContact CD2-CZ 3.47Å; L77-F136 VanDerWaalsContact CD2-CZ 3.47Å; F97-F136 AromaticContact CD1-CD2 3.85Å; F97-F136 HydrophobicContact CD1-CD2 3.85Å; F97-F136 AromaticContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD2-CE2 4.09Å; F97-F136 HydrophobicContact CD2-CZ 4.48Å; F97-F136 HydrophobicContact CE1-CD2 4.07Å; F97-F136 AromaticContact CE1-CE2 3.55Å; F97-F136 HydrophobicContact CE1-CE2 3.55Å; F97-F136 HydrophobicContact CE2-CE2 4.1Å; F97-F136 HydrophobicContact CG-CD2 4.35Å; F97-F136 AromaticContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CE2 3.81Å; F97-F136 AromaticContact CZ-CE2 3.83Å; F97-F136 HydrophobicContact CZ-CE2 3.83Å; F99-F136 HydrophobicContact CE1-CB 3.87Å; F99-F136 AromaticContact CE1-CD1 3.89Å; F99-F136 HydrophobicContact CE1-CD1 3.89Å; F99-F136 HydrophobicContact CE1-CD2 4.28Å; F99-F136 AromaticContact CE1-CG 3.74Å; F99-F136 HydrophobicContact CE1-CG 3.74Å; F99-F136 AromaticContact CZ-CD1 3.89Å; F99-F136 HydrophobicContact CZ-CD1 3.89Å; F99-F136 HydrophobicContact CZ-CD2 4.4Å; F99-F136 HydrophobicContact CZ-CE1 4.11Å; F99-F136 HydrophobicContact CZ-CG 4.05Å; F99-F136 HydrophobicContact CZ-CZ 4.48Å; I131-F136 HydrophobicContact CG2-CB 3.76Å; D132-F136 PolarHBondContact O-N 3.03Å; L134-F136 VanDerWaalsContact C-N 3.3Å; L134-F136 PolarHBondContact O-N 3.37Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.69Å; F136-L139 PolarHBondContact O-N 3.48Å; F136-L140 HydrophobicContact CE1-CB 4.32Å; F136-L140 HydrophobicContact CE1-CD2 3.71Å; F136-L140 HydrophobicContact CZ-CB 4.41Å; F136-L140 HydrophobicContact CZ-CD1 4.33Å; F136-L140 HydrophobicContact CZ-CD2 3.92Å; F136-L140 HydrophobicContact CZ-CG 4.46Å; F136-L140 WeakPolarHBondContact O-CB 3.29Å; F136-L140 PolarHBondContact O-N 2.81Å; F136-L168 HydrophobicContact CD1-CD1 3.77Å; F136-L168 HydrophobicContact CD1-CD2 3.78Å; F136-L168 HydrophobicContact CD1-CG 4.39Å; F136-L168 HydrophobicContact CE1-CD1 4.19Å; F136-L168 HydrophobicContact CE1-CD2 4.06Å |
| 137 | A | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T133 L134 L139 L140 M141 L168 | T133-A137 WeakPolarHBondContact O-CB 3.34Å; T133-A137 PolarHBondContact O-N 3.13Å; L134-A137 WeakPolarHBondContact O-CB 3.36Å; L134-A137 PolarHBondContact O-N 2.91Å; A137-L139 PolarHBondContact O-N 2.85Å; A137-L140 PolarHBondContact O-N 3.39Å; A137-M141 WeakPolarHBondContact O-CB 3.38Å; A137-M141 PolarHBondContact O-N 3.49Å; A137-L168 HydrophobicContact CB-CD2 3.47Å; A137-L168 VanDerWaalsContact CB-CD2 3.47Å; A137-L168 HydrophobicContact CB-CG 4.16Å; A137-L168 WeakPolarHBondContact CB-O 3.44Å |
| 138 | E | 98.4 | Very high | 98.3 | Very high | 135 Ų | 135 | 47 Ų | 47 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.2 | -48.6 | 176.7 | -179 | -176.5 | 170.9 | 0 | 0 | 111.7 | L134 F136 | L134-E138 PolarHBondContact O-N 2.97Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.69Å |
| 139 | L | 98.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 179.7 | -66.4 | 175.4 | 0 | 0 | 0 | 111.9 | L20 E21 M24 H135 F136 A137 S143 | L20-L139 HydrophobicContact CD1-CD1 4.3Å; L20-L139 HydrophobicContact CD2-CD1 3.78Å; L20-L139 HydrophobicContact CG-CD1 3.66Å; E21-L139 HydrophobicContact CG-CD1 4.21Å; M24-L139 HydrophobicContact CB-CB 4.44Å; M24-L139 HydrophobicContact CB-CD1 4.32Å; M24-L139 HydrophobicContact CE-CB 3.99Å; M24-L139 HydrophobicContact CG-CB 4.07Å; M24-L139 HydrophobicContact CG-CD1 3.98Å; H135-L139 WeakPolarHBondContact O-CG 3.36Å; H135-L139 PolarHBondContact O-N 3.38Å; F136-L139 PolarHBondContact O-N 3.48Å; A137-L139 PolarHBondContact O-N 2.85Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 2.97Å |
| 140 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 180 | -170.3 | 66.8 | 0 | 0 | 0 | 111.4 | M24 F136 A137 T142 S143 V145 V146 M165 L169 | M24-L140 HydrophobicContact CE-CB 4.42Å; M24-L140 HydrophobicContact CE-CD1 4.21Å; F136-L140 HydrophobicContact CE1-CB 4.32Å; F136-L140 HydrophobicContact CE1-CD2 3.71Å; F136-L140 HydrophobicContact CZ-CB 4.41Å; F136-L140 HydrophobicContact CZ-CD1 4.33Å; F136-L140 HydrophobicContact CZ-CD2 3.92Å; F136-L140 HydrophobicContact CZ-CG 4.46Å; F136-L140 WeakPolarHBondContact O-CB 3.29Å; F136-L140 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 3.39Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-T142 VanDerWaalsContact O-N 3.14Å; L140-S143 WeakPolarHBondContact O-CB 3.36Å; L140-S143 PolarHBondContact O-N 3.39Å; L140-S143 VanDerWaalsContact O-N 3.07Å; L140-S143 PolarHBondContact O-OG 2.86Å; L140-V145 HydrophobicContact CD1-CB 3.83Å; L140-V145 HydrophobicContact CD1-CG1 3.72Å; L140-V145 HydrophobicContact CD1-CG2 4.39Å; L140-V146 HydrophobicContact CD2-CG1 4.19Å; L140-V146 HydrophobicContact CG-CG1 4.23Å; L140-V146 HydrophobicContact CG-CG2 4.47Å; L140-M165 HydrophobicContact CD2-CE 3.63Å; L140-L169 HydrophobicContact CD2-CD2 4.06Å; L140-L169 HydrophobicContact CG-CD2 4.5Å |
| 141 | M | 98.3 | Very high | 97.9 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54 | -35.8 | -177.9 | -169.2 | 65.3 | 70.6 | 0 | 0 | 113.3 | A137 L147 L169 F188 | A137-M141 WeakPolarHBondContact O-CB 3.38Å; A137-M141 PolarHBondContact O-N 3.49Å; M141-L147 HydrophobicContact SD-CD1 3.64Å; M141-L169 HydrophobicContact CE-CB 4.42Å; M141-L169 HydrophobicContact CE-CD2 4.02Å; M141-L169 WeakPolarHBondContact CE-O 3.34Å; M141-F188 HydrophobicContact CE-CE1 3.78Å; M141-F188 HydrophobicContact CE-CZ 4.25Å; M141-F188 HydrophobicContact SD-CE1 3.82Å |
| 142 | T | 96.9 | Very high | 97.9 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 64% | 0.644 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 16.6 | -177.2 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | L140 | L140-T142 PolarHBondContact O-N 3.38Å; L140-T142 VanDerWaalsContact O-N 3.14Å |
| 143 | S | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -18 | -174.5 | 66.5 | 0 | 0 | 0 | 0 | 115 | R28 L139 L140 V145 | R28-S143 WeakPolarHBondContact CG-O 3.35Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 2.97Å; L140-S143 WeakPolarHBondContact O-CB 3.36Å; L140-S143 PolarHBondContact O-N 3.39Å; L140-S143 VanDerWaalsContact O-N 3.07Å; L140-S143 PolarHBondContact O-OG 2.86Å; S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 VanDerWaalsContact OG-CB 3.27Å; S143-V145 WeakPolarHBondContact OG-CB 3.19Å; S143-V145 WeakPolarHBondContact OG-CG2 3.26Å; S143-V145 PolarHBondContact OG-N 3.04Å; S143-V145 VanDerWaalsContact OG-N 3.15Å |
| 144 | G | 97.8 | Very high | 97.9 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C148 V151 | G144-C148 PolarHBondContact O-SG 3.39Å; G144-V151 WeakPolarHBondContact O-CG2 3.45Å |
| 145 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -80.3 | -31.5 | 176.8 | 169.5 | 0 | 0 | 0 | 0 | 112.5 | I27 V31 I37 F81 L140 S143 W153 | I27-V145 HydrophobicContact CG2-CG2 3.65Å; V31-V145 HydrophobicContact CB-CG2 4.2Å; V31-V145 HydrophobicContact CG1-CG2 4.49Å; V31-V145 HydrophobicContact CG2-CG2 4.01Å; I37-V145 HydrophobicContact CD1-CB 4.24Å; I37-V145 HydrophobicContact CD1-CG1 3.6Å; I37-V145 HydrophobicContact CD1-CG2 4.24Å; F81-V145 HydrophobicContact CE1-CG2 4.2Å; F81-V145 HydrophobicContact CZ-CG2 4.32Å; L140-V145 HydrophobicContact CD1-CB 3.83Å; L140-V145 HydrophobicContact CD1-CG1 3.72Å; L140-V145 HydrophobicContact CD1-CG2 4.39Å; S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 VanDerWaalsContact OG-CB 3.27Å; S143-V145 WeakPolarHBondContact OG-CB 3.19Å; S143-V145 WeakPolarHBondContact OG-CG2 3.26Å; S143-V145 PolarHBondContact OG-N 3.04Å; S143-V145 VanDerWaalsContact OG-N 3.15Å; V145-W153 HydrophobicContact CG1-CH2 3.79Å; V145-W153 HydrophobicContact CG1-CZ2 3.45Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.45Å; V145-W153 WeakPolarHBondContact O-CZ2 3.31Å; V145-W153 PolarHBondContact O-NE1 3.33Å |
| 146 | V | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -118.2 | 164.8 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | L140 C148 W153 L169 F188 F189 | L140-V146 HydrophobicContact CD2-CG1 4.19Å; L140-V146 HydrophobicContact CG-CG1 4.23Å; L140-V146 HydrophobicContact CG-CG2 4.47Å; V146-C148 PolarHBondContact O-N 3.49Å; V146-C148 VanDerWaalsContact O-N 3.12Å; V146-C148 PolarHBondContact O-SG 3.26Å; V146-W153 HydrophobicContact CG1-CZ2 3.94Å; V146-L169 HydrophobicContact CG1-CD1 4.15Å; V146-L169 HydrophobicContact CG2-CD2 4.46Å; V146-F188 WeakPolarHBondContact CA-O 3.49Å; V146-F189 HydrophobicContact CG1-CD1 4.42Å; V146-F189 HydrophobicContact CG1-CE1 3.74Å; V146-F189 HydrophobicContact CG1-CZ 4.16Å |
| 147 | L | 97.9 | Very high | 97.9 | Very high | 85 Ų | 85 | 42 Ų | 42 | 45% | 0.445 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 61.5 | 14.6 | 179.5 | -56 | 166.8 | 0 | 0 | 0 | 114.3 | M141 L187 F188 | M141-L147 HydrophobicContact SD-CD1 3.64Å; L147-L187 WeakPolarHBondContact CD2-O 3.28Å; L147-F188 HydrophobicContact CD1-CD1 4.42Å; L147-F188 HydrophobicContact CD1-CE1 4.35Å; L147-F188 HydrophobicContact CD2-CD1 3.6Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.31Å; L147-F188 HydrophobicContact CG-CD1 3.86Å; L147-F188 HydrophobicContact CG-CE1 4.26Å; L147-F188 PolarHBondContact N-O 3.18Å |
| 148 | C | 96.9 | Very high | 97.9 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 25% | 0.25 | 22% | 0.223 | C | C | . | . | trans | -119.9 | 118 | -174.2 | -66.4 | 0 | 0 | 0 | 0 | 110.9 | G144 V146 N150 V151 | G144-C148 PolarHBondContact O-SG 3.39Å; V146-C148 PolarHBondContact O-N 3.49Å; V146-C148 VanDerWaalsContact O-N 3.12Å; V146-C148 PolarHBondContact O-SG 3.26Å; C148-N150 WeakPolarHBondContact CB-OD1 3.49Å; C148-N150 PolarHBondContact O-N 3.43Å; C148-N150 VanDerWaalsContact O-N 3.17Å; C148-V151 HydrophobicContact CB-CG2 3.99Å; C148-V151 PolarHBondContact O-N 3.11Å; C148-V151 VanDerWaalsContact O-N 3.12Å | ||
| 149 | D | 94.7 | Very high | 97.8 | Very high | 134 Ų | 134 | 35.4 Ų | 35.4 | 72% | 0.717 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.1 | -173.4 | -64.2 | -28.2 | 0 | 0 | 0 | 114.4 | V151 | D149-V151 VanDerWaalsContact C-N 3.3Š|
| 150 | N | 94.6 | Very high | 97.8 | Very high | 96 Ų | 96 | 36.8 Ų | 36.8 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.9 | 179 | 64.8 | -55.2 | 0 | 0 | 0 | 113.6 | S35 C148 | S35-N150 VanDerWaalsContact CB-O 3.29Å; S35-N150 WeakPolarHBondContact CB-O 3.42Å; S35-N150 PolarHBondContact OG-O 3.08Å; S35-N150 VanDerWaalsContact OG-O 3.08Å; C148-N150 WeakPolarHBondContact CB-OD1 3.49Å; C148-N150 PolarHBondContact O-N 3.43Å; C148-N150 VanDerWaalsContact O-N 3.17Å |
| 151 | V | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -90.5 | 132.5 | 179.2 | 180 | 0 | 0 | 0 | 0 | 110.3 | V31 S35 I37 G144 C148 D149 | V31-V151 HydrophobicContact CG2-CG2 4.01Å; S35-V151 CarbonylContact O-C 3.57Å; S35-V151 WeakPolarHBondContact O-CA 3.42Å; I37-V151 HydrophobicContact CD1-CG1 3.47Å; I37-V151 VanDerWaalsContact CD1-CG1 3.47Å; I37-V151 HydrophobicContact CG1-CG1 3.93Å; G144-V151 WeakPolarHBondContact O-CG2 3.45Å; C148-V151 HydrophobicContact CB-CG2 3.99Å; C148-V151 PolarHBondContact O-N 3.11Å; C148-V151 VanDerWaalsContact O-N 3.12Å; D149-V151 VanDerWaalsContact C-N 3.3Å | ||
| 152 | K | 98.6 | Very high | 97.9 | Very high | 46 Ų | 46 | 34.1 Ų | 34.1 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.5 | 176.7 | -54.1 | -136.6 | -171.1 | -157.7 | 0 | 110 | S35 Y36 I37 Y193 D252 | S35-K152 PolarHBondContact O-N 2.93Å; Y36-K152 CarbonylContact C-O 3.45Å; Y36-K152 WeakPolarHBondContact CA-O 3.41Å; Y36-K152 HydrophobicContact CD1-CB 3.94Å; Y36-K152 HydrophobicContact CD2-CB 4.3Å; Y36-K152 HydrophobicContact CD2-CG 4.38Å; Y36-K152 HydrophobicContact CE1-CB 3.95Å; Y36-K152 HydrophobicContact CE1-CD 3.91Å; Y36-K152 HydrophobicContact CE1-CG 4.18Å; Y36-K152 HydrophobicContact CE2-CB 4.3Å; Y36-K152 HydrophobicContact CE2-CD 4.14Å; Y36-K152 HydrophobicContact CE2-CG 3.97Å; Y36-K152 HydrophobicContact CG-CB 4.12Å; Y36-K152 WeakPolarHBondContact OH-CD 3.32Å; Y36-K152 WeakPolarHBondContact OH-CE 3.16Å; I37-K152 PolarHBondContact N-O 3.36Å; K152-Y193 HydrophobicContact CB-CE2 4.35Å; K152-Y193 HydrophobicContact CD-CE2 3.67Å; K152-Y193 PolarHBondContact NZ-OH 3.01Å; K152-D252 IonicContact NZ-OD2 3.16Å |
| 153 | W | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.5 | 179.6 | -72.4 | 76.8 | 0 | 0 | 0 | 111.1 | I37 M39 L79 V145 V146 F162 M165 F189 S191 I192 Y193 | I37-W153 HydrophobicContact CD1-CZ2 4.43Å; I37-W153 HydrophobicContact CG2-CE3 4.34Å; I37-W153 HydrophobicContact CG2-CH2 4.35Å; I37-W153 HydrophobicContact CG2-CZ3 4.15Å; I37-W153 CarbonylContact O-C 3.53Å; I37-W153 WeakPolarHBondContact O-CA 3.26Å; M39-W153 HydrophobicContact CB-CE3 3.92Å; M39-W153 HydrophobicContact CB-CZ3 3.83Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.94Å; L79-W153 HydrophobicContact CD2-CH2 4.03Å; L79-W153 HydrophobicContact CD2-CZ3 3.73Å; V145-W153 HydrophobicContact CG1-CH2 3.79Å; V145-W153 HydrophobicContact CG1-CZ2 3.45Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.45Å; V145-W153 WeakPolarHBondContact O-CZ2 3.31Å; V145-W153 PolarHBondContact O-NE1 3.33Å; V146-W153 HydrophobicContact CG1-CZ2 3.94Å; W153-F162 HydrophobicContact CB-CZ 4.12Å; W153-F162 HydrophobicContact CE3-CE1 4.3Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; W153-M165 HydrophobicContact CH2-CE 4.36Å; W153-F189 AromaticContact CD1-CD1 3.87Å; W153-F189 AromaticContact CD2-CD1 3.66Å; W153-F189 HydrophobicContact CD2-CD1 3.66Å; W153-F189 HydrophobicContact CD2-CE1 4.05Å; W153-F189 AromaticContact CE2-CD1 3.37Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 HydrophobicContact CE3-CD1 4.26Å; W153-F189 HydrophobicContact CE3-CE1 4.28Å; W153-F189 AromaticContact CG-CD1 3.98Å; W153-F189 HydrophobicContact CG-CD1 3.98Å; W153-F189 HydrophobicContact CH2-CD1 4.32Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.72Å; W153-F189 HydrophobicContact CZ2-CD1 3.72Å; W153-F189 AromaticContact CZ2-CE1 3.46Å; W153-F189 HydrophobicContact CZ2-CE1 3.46Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.46Å; W153-F189 HydrophobicContact CZ3-CE1 4.13Å; W153-F189 AromaticContact NE1-CD1 3.52Å; W153-S191 WeakPolarHBondContact CB-O 3.08Å; W153-S191 PolarHBondContact N-O 3.27Å; W153-I192 HydrophobicContact CB-CG1 4.13Å; W153-I192 CarbonylContact O-C 3.6Å; W153-I192 WeakPolarHBondContact O-CA 3.28Å; W153-Y193 PolarHBondContact O-N 3.38Å |
| 154 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.6 | 177.1 | -43.7 | 177.6 | 0 | 0 | 0 | 108.2 | Y36 I37 A38 M39 Y193 F238 F239 | Y36-L154 HydrophobicContact CD1-CD1 4.25Å; Y36-L154 HydrophobicContact CD1-CD2 4.09Å; Y36-L154 HydrophobicContact CD1-CG 4.46Å; I37-L154 PolarHBondContact O-N 3.2Å; A38-L154 CarbonylContact C-O 3.01Å; A38-L154 VanDerWaalsContact CA-O 3.25Å; A38-L154 WeakPolarHBondContact CA-O 3.47Å; A38-L154 HydrophobicContact CB-CB 3.97Å; A38-L154 HydrophobicContact CB-CD1 4.35Å; M39-L154 PolarHBondContact N-O 2.62Å; L154-Y193 HydrophobicContact CD2-CD2 3.95Å; L154-F238 HydrophobicContact CB-CG 4.48Å; L154-F238 HydrophobicContact CD1-CB 4.04Å; L154-F238 HydrophobicContact CD1-CD1 3.47Å; L154-F238 VanDerWaalsContact CD1-CD1 3.47Å; L154-F238 HydrophobicContact CD1-CE1 3.99Å; L154-F238 HydrophobicContact CD1-CG 3.79Å; L154-F238 HydrophobicContact CD2-CD1 3.73Å; L154-F238 HydrophobicContact CD2-CD2 3.74Å; L154-F238 HydrophobicContact CD2-CE1 3.57Å; L154-F238 HydrophobicContact CD2-CE2 3.58Å; L154-F238 HydrophobicContact CD2-CG 3.79Å; L154-F238 HydrophobicContact CD2-CZ 3.47Å; L154-F238 VanDerWaalsContact CD2-CZ 3.47Å; L154-F238 HydrophobicContact CG-CD1 4.19Å; L154-F238 HydrophobicContact CG-CE1 4.43Å; L154-F238 HydrophobicContact CG-CG 4.23Å; L154-F239 HydrophobicContact CD1-CE2 3.92Å; L154-F239 HydrophobicContact CD1-CZ 4.5Å |
| 155 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 172.9 | -175 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | S158 Y193 V195 | S155-S158 WeakPolarHBondContact CB-OG 3.45Å; S155-S158 WeakPolarHBondContact OG-CB 3.27Å; S155-S158 PolarHBondContact OG-OG 2.71Å; S155-Y193 PolarHBondContact N-O 3.01Å; S155-Y193 VanDerWaalsContact N-O 3.11Å; S155-V195 WeakPolarHBondContact O-CB 3.36Å; S155-V195 WeakPolarHBondContact O-CG2 3.1Å; S155-V195 PolarHBondContact O-N 3.34Å |
| 156 | F | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -137 | 113.8 | 177 | -172.8 | -82.5 | 0 | 0 | 0 | 111.1 | S158 V195 K196 M199 L209 V212 T234 | F156-S158 PolarHBondContact O-N 2.82Å; F156-V195 HydrophobicContact CD2-CB 3.87Å; F156-V195 HydrophobicContact CD2-CG1 3.77Å; F156-V195 HydrophobicContact CE2-CG1 4.16Å; F156-K196 HydrophobicContact CD2-CB 4.42Å; F156-K196 HydrophobicContact CE1-CB 4.5Å; F156-K196 HydrophobicContact CE1-CD 3.82Å; F156-K196 HydrophobicContact CE2-CB 4.37Å; F156-K196 HydrophobicContact CE2-CD 4.1Å; F156-K196 HydrophobicContact CZ-CB 4.41Å; F156-K196 HydrophobicContact CZ-CD 3.51Å; F156-M199 HydrophobicContact CE2-SD 3.66Å; F156-M199 HydrophobicContact CZ-SD 4.22Å; F156-L209 HydrophobicContact CB-CD1 4.34Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.41Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.95Å; F156-L209 HydrophobicContact CE2-CB 4.4Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.2Å; F156-L209 HydrophobicContact CG-CD1 4.02Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-L209 VanDerWaalsContact CZ-N 3.34Å; F156-V212 HydrophobicContact CE2-CB 4.48Å; F156-V212 HydrophobicContact CE2-CG2 4.16Å; F156-V212 HydrophobicContact CZ-CG2 4.26Å; F156-T234 HydrophobicContact CB-CG2 4.19Å |
| 157 | H | 97.6 | Very high | 98 | Very high | 101 Ų | 101 | 30.1 Ų | 30.1 | 47% | 0.468 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 56.8 | 49.9 | 179.2 | -164.5 | -171.6 | 0 | 0 | 0 | 112.9 | G159 D194 K196 Y260 | H157-G159 PolarHBondContact O-N 2.86Å; H157-D194 PolarHBondContact N-OD1 3.11Å; H157-D194 PolarHBondContact N-OD2 3.45Å; H157-K196 HydrophobicContact CB-CB 4.08Å; H157-K196 HydrophobicContact CB-CG 4.1Å; H157-Y260 AromaticContact CD2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.12Å; H157-Y260 AromaticContact NE2-CD1 3.47Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.36Å; H157-Y260 AromaticContact NE2-CE1 3.79Å |
| 158 | S | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -98.1 | 20 | -148.9 | 58.7 | 0 | 0 | 0 | 0 | 116.8 | S155 F156 Y160 D161 F162 D194 | S155-S158 WeakPolarHBondContact CB-OG 3.45Å; S155-S158 WeakPolarHBondContact OG-CB 3.27Å; S155-S158 PolarHBondContact OG-OG 2.71Å; F156-S158 PolarHBondContact O-N 2.82Å; S158-Y160 PolarHBondContact O-N 2.82Å; S158-D161 WeakPolarHBondContact CA-OD2 3.02Å; S158-D161 WeakPolarHBondContact CB-OD2 3.26Å; S158-D161 PolarHBondContact O-N 3.42Å; S158-F162 WeakPolarHBondContact O-CD2 3.37Å; S158-F162 PolarHBondContact O-N 2.76Å; S158-D194 PolarHBondContact N-OD2 2.94Å; S158-D194 PolarHBondContact OG-OD2 2.94Å | ||
| 159 | G | 98 | Very high | 98.1 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.8 | -54.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L65 H157 G163 | L65-G159 WeakPolarHBondContact CD1-O 3.47Å; H157-G159 PolarHBondContact O-N 2.86Å; G159-G163 PolarHBondContact O-N 2.97Å |
| 160 | Y | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 21.2 Ų | 21.2 | 18% | 0.184 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 179.9 | -82.3 | -99 | 0 | 0 | 0 | 112.3 | F43 V46 L64 L65 N68 V69 S158 F162 G163 Y164 | F43-Y160 HydrophobicContact CE1-CG 4.4Å; F43-Y160 AromaticContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CD1 3.82Å; F43-Y160 HydrophobicContact CE2-CE1 4.39Å; F43-Y160 HydrophobicContact CE2-CG 4.28Å; F43-Y160 AromaticContact CZ-CD1 3.73Å; F43-Y160 HydrophobicContact CZ-CD1 3.73Å; F43-Y160 AromaticContact CZ-CG 3.72Å; F43-Y160 HydrophobicContact CZ-CG 3.72Å; V46-Y160 HydrophobicContact CG2-CE1 4.1Å; L64-Y160 PolarHBondContact O-OH 2.87Å; L65-Y160 HydrophobicContact CB-CE1 4.41Å; L65-Y160 HydrophobicContact CB-CE2 4.1Å; L65-Y160 HydrophobicContact CD1-CD2 4.33Å; L65-Y160 HydrophobicContact CG-CD1 4.32Å; L65-Y160 HydrophobicContact CG-CD2 4.23Å; L65-Y160 HydrophobicContact CG-CE1 4.39Å; L65-Y160 HydrophobicContact CG-CE2 4.28Å; L65-Y160 HydrophobicContact CG-CG 4.25Å; N68-Y160 HydrophobicContact CB-CE1 4.08Å; V69-Y160 HydrophobicContact CG2-CD1 3.78Å; V69-Y160 HydrophobicContact CG2-CE1 4.27Å; S158-Y160 PolarHBondContact O-N 2.82Å; Y160-F162 PolarHBondContact O-N 2.82Å; Y160-G163 CarbonylContact O-C 3.56Å; Y160-G163 WeakPolarHBondContact O-CA 3.41Å; Y160-G163 PolarHBondContact O-N 2.9Å; Y160-Y164 VanDerWaalsContact O-CD2 3.26Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.31Å; Y160-Y164 PolarHBondContact O-N 3.05Å |
| 161 | D | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -51.9 | 180 | -52.8 | -42.6 | 0 | 0 | 0 | 111.1 | M39 T41 S158 G163 Y164 M165 | M39-D161 HydrophobicContact CE-CB 3.67Å; M39-D161 HydrophobicContact SD-CB 3.66Å; T41-D161 HydrophobicContact CG2-CB 4Å; T41-D161 PolarHBondContact N-OD1 3.11Å; T41-D161 PolarHBondContact OG1-OD1 3.38Å; S158-D161 WeakPolarHBondContact CA-OD2 3.02Å; S158-D161 WeakPolarHBondContact CB-OD2 3.26Å; S158-D161 PolarHBondContact O-N 3.42Å; D161-G163 VanDerWaalsContact C-N 3.3Å; D161-G163 PolarHBondContact O-N 3.39Å; D161-Y164 PolarHBondContact O-N 2.88Å; D161-M165 WeakPolarHBondContact O-CG 3.5Å; D161-M165 PolarHBondContact O-N 3.22Å |
| 162 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.3 | -28.5 | 176.2 | -78 | -63.6 | 0 | 0 | 0 | 113 | M39 W153 S158 Y160 M165 V166 F181 L185 F189 I192 L259 | M39-F162 HydrophobicContact CE-CD1 4.03Å; M39-F162 HydrophobicContact CE-CD2 4.33Å; M39-F162 HydrophobicContact CE-CE1 3.8Å; M39-F162 HydrophobicContact CE-CE2 4.12Å; M39-F162 HydrophobicContact CE-CG 4.28Å; M39-F162 HydrophobicContact CE-CZ 3.84Å; W153-F162 HydrophobicContact CB-CZ 4.12Å; W153-F162 HydrophobicContact CE3-CE1 4.3Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; S158-F162 WeakPolarHBondContact O-CD2 3.37Å; S158-F162 PolarHBondContact O-N 2.76Å; Y160-F162 PolarHBondContact O-N 2.82Å; F162-M165 PolarHBondContact O-N 3.17Å; F162-V166 WeakPolarHBondContact O-CB 3.47Å; F162-V166 VanDerWaalsContact O-CG2 3.32Å; F162-V166 WeakPolarHBondContact O-CG2 2.84Å; F162-V166 PolarHBondContact O-N 3.19Å; F162-F181 HydrophobicContact CB-CZ 4.46Å; F162-L185 HydrophobicContact CB-CD1 3.62Å; F162-L185 HydrophobicContact CD1-CD1 3.71Å; F162-L185 HydrophobicContact CG-CD1 3.79Å; F162-F189 HydrophobicContact CD1-CD1 4.4Å; F162-F189 AromaticContact CD1-CD2 4Å; F162-F189 HydrophobicContact CD1-CD2 4Å; F162-F189 HydrophobicContact CD1-CE1 4.49Å; F162-F189 HydrophobicContact CD1-CE2 4.1Å; F162-F189 HydrophobicContact CD1-CG 4.16Å; F162-F189 HydrophobicContact CD1-CZ 4.37Å; F162-F189 HydrophobicContact CE1-CB 4.33Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD2 4.15Å; F162-F189 HydrophobicContact CE1-CE1 4.14Å; F162-F189 HydrophobicContact CE1-CE2 4.46Å; F162-F189 AromaticContact CE1-CG 3.83Å; F162-F189 HydrophobicContact CE1-CG 3.83Å; F162-F189 HydrophobicContact CE1-CZ 4.46Å; F162-I192 HydrophobicContact CD1-CD1 4.28Å; F162-I192 HydrophobicContact CD2-CD1 4.4Å; F162-I192 HydrophobicContact CD2-CG2 4.5Å; F162-I192 HydrophobicContact CE1-CD1 3.92Å; F162-I192 HydrophobicContact CE1-CG1 4.16Å; F162-I192 HydrophobicContact CE2-CD1 4.04Å; F162-I192 HydrophobicContact CE2-CG1 4.25Å; F162-I192 HydrophobicContact CE2-CG2 3.52Å; F162-I192 HydrophobicContact CZ-CB 4.39Å; F162-I192 HydrophobicContact CZ-CD1 3.79Å; F162-I192 HydrophobicContact CZ-CG1 3.75Å; F162-I192 HydrophobicContact CZ-CG2 3.71Å; F162-L259 HydrophobicContact CB-CD1 4.4Å; F162-L259 HydrophobicContact CD2-CD1 4.31Å; F162-L259 HydrophobicContact CD2-CD2 3.7Å; F162-L259 HydrophobicContact CE2-CD2 3.96Å |
| 163 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.8 | -52 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G159 Y160 D161 M165 V166 K167 | G159-G163 PolarHBondContact O-N 2.97Å; Y160-G163 CarbonylContact O-C 3.56Å; Y160-G163 WeakPolarHBondContact O-CA 3.41Å; Y160-G163 PolarHBondContact O-N 2.9Å; D161-G163 VanDerWaalsContact C-N 3.3Å; D161-G163 PolarHBondContact O-N 3.39Å; G163-M165 PolarHBondContact O-N 3.41Å; G163-V166 PolarHBondContact O-N 2.83Å; G163-K167 WeakPolarHBondContact O-CB 3.43Å; G163-K167 PolarHBondContact O-N 3.28Å |
| 164 | Y | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.8 | -79.4 | -72.9 | 0 | 0 | 0 | 112.2 | F43 V69 L72 I74 Y160 D161 K167 L168 | F43-Y164 HydrophobicContact CB-CD2 4.34Å; F43-Y164 HydrophobicContact CB-CE1 4.47Å; F43-Y164 HydrophobicContact CB-CE2 3.54Å; F43-Y164 AromaticContact CD1-CD2 3.99Å; F43-Y164 HydrophobicContact CD1-CD2 3.99Å; F43-Y164 AromaticContact CD1-CE2 3.52Å; F43-Y164 HydrophobicContact CD1-CE2 3.52Å; F43-Y164 AromaticContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CE1-CD2 4.5Å; F43-Y164 HydrophobicContact CE1-CE2 4.08Å; F43-Y164 HydrophobicContact CE2-CE2 4.21Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.29Å; F43-Y164 HydrophobicContact CG-CE2 3.29Å; F43-Y164 AromaticContact CG-CZ 3.78Å; F43-Y164 HydrophobicContact CZ-CE2 4.39Å; V69-Y164 HydrophobicContact CG1-CD1 4.06Å; V69-Y164 HydrophobicContact CG1-CE1 4.26Å; V69-Y164 HydrophobicContact CG1-CG 4.25Å; V69-Y164 HydrophobicContact CG2-CD2 4.2Å; V69-Y164 HydrophobicContact CG2-CE2 3.99Å; L72-Y164 WeakPolarHBondContact CB-OH 3.33Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.3Å; I74-Y164 HydrophobicContact CB-CG 4.22Å; Y160-Y164 VanDerWaalsContact O-CD2 3.26Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.31Å; Y160-Y164 PolarHBondContact O-N 3.05Å; D161-Y164 PolarHBondContact O-N 2.88Å; Y164-K167 PolarHBondContact O-N 3.17Å; Y164-L168 WeakPolarHBondContact O-CB 3.44Å; Y164-L168 PolarHBondContact O-N 3.11Å |
| 165 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.8 | -69.1 | -60.4 | -66.6 | 0 | 0 | 112.3 | M39 L77 L140 W153 D161 F162 G163 L168 L169 F189 | M39-M165 HydrophobicContact CE-CG 4.23Å; L77-M165 HydrophobicContact CD1-SD 3.86Å; L77-M165 HydrophobicContact CD2-CE 4.27Å; L77-M165 HydrophobicContact CD2-SD 3.82Å; L77-M165 HydrophobicContact CG-SD 4.49Å; L140-M165 HydrophobicContact CD2-CE 3.63Å; W153-M165 HydrophobicContact CH2-CE 4.36Å; D161-M165 WeakPolarHBondContact O-CG 3.5Å; D161-M165 PolarHBondContact O-N 3.22Å; F162-M165 PolarHBondContact O-N 3.17Å; G163-M165 PolarHBondContact O-N 3.41Å; M165-L168 PolarHBondContact O-N 3.06Å; M165-L169 WeakPolarHBondContact O-CB 3.48Å; M165-L169 VanDerWaalsContact O-CG 3.29Å; M165-L169 WeakPolarHBondContact O-CG 3.42Å; M165-L169 PolarHBondContact O-N 3.46Å; M165-F189 HydrophobicContact CB-CE2 4.13Å; M165-F189 HydrophobicContact CB-CZ 3.75Å; M165-F189 HydrophobicContact CE-CE1 4.35Å; M165-F189 HydrophobicContact CE-CZ 4.06Å; M165-F189 HydrophobicContact CG-CZ 4.39Å |
| 166 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | F162 G163 L168 L169 T170 L174 F181 I184 L185 F189 | F162-V166 WeakPolarHBondContact O-CB 3.47Å; F162-V166 VanDerWaalsContact O-CG2 3.32Å; F162-V166 WeakPolarHBondContact O-CG2 2.84Å; F162-V166 PolarHBondContact O-N 3.19Å; G163-V166 PolarHBondContact O-N 2.83Å; V166-L168 VanDerWaalsContact C-N 3.29Å; V166-L168 PolarHBondContact O-N 3.21Å; V166-L169 PolarHBondContact O-N 2.79Å; V166-T170 HydrophobicContact CG1-CG2 4.25Å; V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 WeakPolarHBondContact O-CG2 3.44Å; V166-T170 PolarHBondContact O-N 3.41Å; V166-T170 PolarHBondContact O-OG1 3.3Å; V166-L174 HydrophobicContact CB-CD2 3.88Å; V166-L174 HydrophobicContact CG1-CD2 3.62Å; V166-F181 HydrophobicContact CB-CE2 4.05Å; V166-F181 HydrophobicContact CG1-CD2 4.35Å; V166-F181 HydrophobicContact CG1-CE2 4.39Å; V166-F181 HydrophobicContact CG2-CD2 4.43Å; V166-F181 HydrophobicContact CG2-CE2 3.84Å; V166-I184 HydrophobicContact CG1-CG2 3.87Å; V166-L185 HydrophobicContact CG2-CB 4.41Å; V166-L185 HydrophobicContact CG2-CD1 3.89Å; V166-F189 HydrophobicContact CG2-CE2 4.47Å |
| 167 | K | 98.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 22% | 0.222 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.3 | -46.9 | 174.4 | 174 | -179 | 177.9 | 179 | 0 | 111.1 | V69 D70 L72 G163 Y164 D171 S172 L174 | V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.9Å; V69-K167 VanDerWaalsContact O-CD 3.26Å; V69-K167 WeakPolarHBondContact O-CD 3.46Å; V69-K167 PolarHBondContact O-NZ 3.4Å; D70-K167 PolarHBondContact O-NZ 3.13Å; L72-K167 PolarHBondContact O-NZ 3.37Å; G163-K167 WeakPolarHBondContact O-CB 3.43Å; G163-K167 PolarHBondContact O-N 3.28Å; Y164-K167 PolarHBondContact O-N 3.17Å; K167-D171 WeakPolarHBondContact O-CA 3.32Å; K167-D171 PolarHBondContact O-N 2.99Å; K167-S172 PolarHBondContact O-N 3.43Å; K167-L174 HydrophobicContact CB-CD2 4.28Å |
| 168 | L | 97.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | -178.7 | -179.5 | 149.4 | 0 | 0 | 0 | 111.7 | F99 T133 F136 A137 Y164 M165 V166 | F99-L168 HydrophobicContact CE1-CD1 4.39Å; F99-L168 HydrophobicContact CZ-CD1 4.28Å; T133-L168 HydrophobicContact CG2-CD1 4.3Å; F136-L168 HydrophobicContact CD1-CD1 3.77Å; F136-L168 HydrophobicContact CD1-CD2 3.78Å; F136-L168 HydrophobicContact CD1-CG 4.39Å; F136-L168 HydrophobicContact CE1-CD1 4.19Å; F136-L168 HydrophobicContact CE1-CD2 4.06Å; A137-L168 HydrophobicContact CB-CD2 3.47Å; A137-L168 VanDerWaalsContact CB-CD2 3.47Å; A137-L168 HydrophobicContact CB-CG 4.16Å; A137-L168 WeakPolarHBondContact CB-O 3.44Å; Y164-L168 WeakPolarHBondContact O-CB 3.44Å; Y164-L168 PolarHBondContact O-N 3.11Å; M165-L168 PolarHBondContact O-N 3.06Å; V166-L168 VanDerWaalsContact C-N 3.29Å; V166-L168 PolarHBondContact O-N 3.21Å |
| 169 | L | 98.2 | Very high | 97.5 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.7 | -25.1 | -176.1 | -73.2 | 167.1 | 0 | 0 | 0 | 113.5 | L140 M141 V146 M165 V166 F188 F189 | L140-L169 HydrophobicContact CD2-CD2 4.06Å; L140-L169 HydrophobicContact CG-CD2 4.5Å; M141-L169 HydrophobicContact CE-CB 4.42Å; M141-L169 HydrophobicContact CE-CD2 4.02Å; M141-L169 WeakPolarHBondContact CE-O 3.34Å; V146-L169 HydrophobicContact CG1-CD1 4.15Å; V146-L169 HydrophobicContact CG2-CD2 4.46Å; M165-L169 WeakPolarHBondContact O-CB 3.48Å; M165-L169 VanDerWaalsContact O-CG 3.29Å; M165-L169 WeakPolarHBondContact O-CG 3.42Å; M165-L169 PolarHBondContact O-N 3.46Å; V166-L169 PolarHBondContact O-N 2.79Å; L169-F188 HydrophobicContact CB-CD1 4.31Å; L169-F188 HydrophobicContact CB-CD2 4.49Å; L169-F188 HydrophobicContact CB-CE1 3.98Å; L169-F188 HydrophobicContact CB-CE2 4.15Å; L169-F188 HydrophobicContact CB-CZ 3.89Å; L169-F188 HydrophobicContact CD1-CB 4.14Å; L169-F188 HydrophobicContact CD1-CD1 3.81Å; L169-F188 HydrophobicContact CD1-CD2 4.4Å; L169-F188 HydrophobicContact CD1-CE1 4.31Å; L169-F188 HydrophobicContact CD1-CG 3.87Å; L169-F189 HydrophobicContact CD1-CE2 3.95Å; L169-F189 HydrophobicContact CD1-CZ 3.56Å |
| 170 | T | 98.1 | Very high | 97.5 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -94.8 | -11.2 | 177.8 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | V166 S172 I184 F188 | V166-T170 HydrophobicContact CG1-CG2 4.25Å; V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 WeakPolarHBondContact O-CG2 3.44Å; V166-T170 PolarHBondContact O-N 3.41Å; V166-T170 PolarHBondContact O-OG1 3.3Å; T170-S172 PolarHBondContact O-N 3.11Å; T170-S172 VanDerWaalsContact O-N 3.13Å; T170-S172 PolarHBondContact O-OG 2.82Å; T170-I184 HydrophobicContact CG2-CG2 3.96Å; T170-F188 HydrophobicContact CG2-CE2 3.82Å; T170-F188 HydrophobicContact CG2-CZ 4.31Å |
| 171 | D | 97.5 | Very high | 97.4 | Very high | 112 Ų | 112 | 44.7 Ų | 44.7 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 42.2 | -168.6 | -171.6 | 29.1 | 0 | 0 | 0 | 111.9 | L134 K167 | L134-D171 HydrophobicContact CD2-CB 3.88Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.41Å; K167-D171 WeakPolarHBondContact O-CA 3.32Å; K167-D171 PolarHBondContact O-N 2.99Å |
| 172 | S | 97.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -145.5 | 158.9 | -170.9 | -71.2 | 0 | 0 | 0 | 0 | 110.9 | K167 T170 | K167-S172 PolarHBondContact O-N 3.43Å; T170-S172 PolarHBondContact O-N 3.11Å; T170-S172 VanDerWaalsContact O-N 3.13Å; T170-S172 PolarHBondContact O-OG 2.82Å |
| 173 | R | 98.1 | Very high | 97.3 | Very high | 172 Ų | 172 | 50.9 Ų | 50.9 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -61.9 | 147.4 | 168.6 | -65.1 | -175.5 | 64.8 | -170.1 | -0.7 | 109.9 | D70 | D70-R173 WeakPolarHBondContact OD1-CA 3.45Å; D70-R173 IonicContact OD2-CZ 3.31Å; D70-R173 VanDerWaalsContact OD2-CZ 3.31Å; D70-R173 IonicContact OD2-NE 2.76Å; D70-R173 PolarHBondContact OD2-NE 2.88Å; D70-R173 IonicContact OD2-NH2 3.91Å; D70-R173 PolarHBondContact OD2-NH2 3.06Å |
| 174 | L | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.3 | 177.5 | -71.7 | -174.6 | 0 | 0 | 0 | 111.2 | L65 R66 V69 D70 V166 K167 F181 | L65-L174 HydrophobicContact CD2-CD1 3.61Å; R66-L174 HydrophobicContact CG-CB 3.8Å; V69-L174 HydrophobicContact CB-CD1 3.85Å; V69-L174 HydrophobicContact CG1-CD1 3.67Å; V69-L174 HydrophobicContact CG1-CG 4.2Å; V69-L174 HydrophobicContact CG2-CD1 4.44Å; D70-L174 PolarHBondContact OD1-N 2.94Å; V166-L174 HydrophobicContact CB-CD2 3.88Å; V166-L174 HydrophobicContact CG1-CD2 3.62Å; K167-L174 HydrophobicContact CB-CD2 4.28Å; L174-F181 HydrophobicContact CD2-CD2 4.13Å; L174-F181 HydrophobicContact CD2-CE2 4.24Å |
| 175 | P | 98 | Very high | 97.2 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 148.7 | -179.4 | -28.6 | 36.9 | 0 | 0 | 0 | 113.3 | Y62 R66 E177 E180 F181 I184 | Y62-P175 WeakPolarHBondContact CE1-O 3.47Å; Y62-P175 PolarHBondContact OH-O 3.43Å; R66-P175 WeakPolarHBondContact CD-O 3.27Å; P175-E177 VanDerWaalsContact C-N 3.32Å; P175-E177 PolarHBondContact O-N 2.82Å; P175-E180 HydrophobicContact CB-CB 3.66Å; P175-E180 HydrophobicContact CG-CB 4.26Å; P175-F181 HydrophobicContact CB-CB 4.49Å; P175-F181 HydrophobicContact CG-CB 4.29Å; P175-I184 HydrophobicContact CG-CD1 3.7Å |
| 176 | E | 95.1 | Very high | 97.1 | Very high | 136 Ų | 136 | 56.2 Ų | 56.2 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -68.2 | -34.5 | -178.5 | -64.7 | -166.9 | 162.5 | 0 | 0 | 112.4 | Q63 | Q63-E176 PolarHBondContact NE2-O 2.86Š|
| 177 | E | 92.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -108 | 137.1 | -176.8 | -64.3 | -82.4 | 169 | 0 | 0 | 111.1 | R55 P175 H179 E180 F181 | R55-E177 IonicContact CZ-OE1 3.54Å; R55-E177 IonicContact CZ-OE2 3.77Å; R55-E177 IonicContact NH1-OE1 3.3Å; R55-E177 PolarHBondContact NH1-OE1 2.72Å; R55-E177 IonicContact NH1-OE2 2.82Å; R55-E177 PolarHBondContact NH1-OE2 3.03Å; R55-E177 IonicContact NH2-OE1 2.94Å; R55-E177 PolarHBondContact NH2-OE1 3.2Å; R55-E177 IonicContact NH2-OE2 3.9Å; P175-E177 VanDerWaalsContact C-N 3.32Å; P175-E177 PolarHBondContact O-N 2.82Å; E177-H179 VanDerWaalsContact C-N 3.28Å; E177-H179 VanDerWaalsContact CB-CE1 3.45Å; E177-H179 WeakPolarHBondContact CB-CE1 3.37Å; E177-H179 PolarHBondContact O-N 3.47Å; E177-E180 HydrophobicContact CB-CG 4.47Å; E177-E180 PolarHBondContact O-N 3.34Å; E177-E180 VanDerWaalsContact O-N 3.12Å; E177-F181 PolarHBondContact O-N 3.49Å |
| 178 | E | 94.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -38.8 | -173.6 | -177.1 | -174.9 | -150.3 | 0 | 0 | 113 | I58 Y62 E180 F181 F182 L262 G263 | I58-E178 WeakPolarHBondContact CG2-OE2 3.34Å; Y62-E178 HydrophobicContact CD1-CB 3.76Å; Y62-E178 HydrophobicContact CD1-CG 4.48Å; Y62-E178 HydrophobicContact CD2-CB 4.11Å; Y62-E178 HydrophobicContact CD2-CG 3.96Å; Y62-E178 HydrophobicContact CE1-CB 4.27Å; Y62-E178 HydrophobicContact CG-CB 3.68Å; Y62-E178 HydrophobicContact CG-CG 3.9Å; E178-E180 VanDerWaalsContact C-N 3.3Å; E178-E180 PolarHBondContact O-N 2.83Å; E178-F181 WeakPolarHBondContact O-CB 3.36Å; E178-F181 PolarHBondContact O-N 3.3Å; E178-F182 HydrophobicContact CG-CD2 3.81Å; E178-F182 HydrophobicContact CG-CE2 3.72Å; E178-F182 WeakPolarHBondContact O-CD2 3.36Å; E178-F182 PolarHBondContact O-N 2.9Å; E178-L262 WeakPolarHBondContact OE1-CA 3.35Å; E178-L262 WeakPolarHBondContact OE1-CB 3.34Å; E178-G263 PolarHBondContact OE1-N 3.31Å |
| 179 | H | 94.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 58.9 Ų | 58.9 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -31.3 | -178 | 70.2 | -79.6 | 0 | 0 | 0 | 113.1 | E177 F182 H183 | E177-H179 VanDerWaalsContact C-N 3.28Å; E177-H179 VanDerWaalsContact CB-CE1 3.45Å; E177-H179 WeakPolarHBondContact CB-CE1 3.37Å; E177-H179 PolarHBondContact O-N 3.47Å; H179-F182 PolarHBondContact O-N 3.15Å; H179-H183 PolarHBondContact O-N 3.46Å |
| 180 | E | 96.4 | Very high | 97 | Very high | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.9 | -37.5 | 174.4 | -63.1 | -176.9 | 157.4 | 0 | 0 | 110.7 | P175 E177 E178 H183 I184 | P175-E180 HydrophobicContact CB-CB 3.66Å; P175-E180 HydrophobicContact CG-CB 4.26Å; E177-E180 HydrophobicContact CB-CG 4.47Å; E177-E180 PolarHBondContact O-N 3.34Å; E177-E180 VanDerWaalsContact O-N 3.12Å; E178-E180 VanDerWaalsContact C-N 3.3Å; E178-E180 PolarHBondContact O-N 2.83Å; E180-H183 WeakPolarHBondContact O-CB 3.46Å; E180-H183 PolarHBondContact O-N 2.78Å; E180-I184 PolarHBondContact O-N 3.06Å |
| 181 | F | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 170.7 | 165.9 | -97.4 | 0 | 0 | 0 | 111.7 | Y62 F162 V166 L174 P175 E177 E178 H183 I184 L185 L259 | Y62-F181 HydrophobicContact CD2-CD1 4.47Å; Y62-F181 HydrophobicContact CE2-CB 3.62Å; Y62-F181 AromaticContact CE2-CD1 3.88Å; Y62-F181 HydrophobicContact CE2-CD1 3.88Å; Y62-F181 HydrophobicContact CE2-CD2 4.24Å; Y62-F181 AromaticContact CE2-CG 3.64Å; Y62-F181 HydrophobicContact CE2-CG 3.64Å; Y62-F181 VanDerWaalsContact OH-CB 3.29Å; Y62-F181 WeakPolarHBondContact OH-CB 3.07Å; F162-F181 HydrophobicContact CB-CZ 4.46Å; V166-F181 HydrophobicContact CB-CE2 4.05Å; V166-F181 HydrophobicContact CG1-CD2 4.35Å; V166-F181 HydrophobicContact CG1-CE2 4.39Å; V166-F181 HydrophobicContact CG2-CD2 4.43Å; V166-F181 HydrophobicContact CG2-CE2 3.84Å; L174-F181 HydrophobicContact CD2-CD2 4.13Å; L174-F181 HydrophobicContact CD2-CE2 4.24Å; P175-F181 HydrophobicContact CB-CB 4.49Å; P175-F181 HydrophobicContact CG-CB 4.29Å; E177-F181 PolarHBondContact O-N 3.49Å; E178-F181 WeakPolarHBondContact O-CB 3.36Å; E178-F181 PolarHBondContact O-N 3.3Å; F181-H183 VanDerWaalsContact C-N 3.27Å; F181-H183 PolarHBondContact O-N 2.68Å; F181-I184 PolarHBondContact O-N 3.45Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 HydrophobicContact CZ-CD1 4.28Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 VanDerWaalsContact O-CB 3.24Å; F181-L185 WeakPolarHBondContact O-CB 3.13Å; F181-L185 PolarHBondContact O-N 3.37Å; F181-L259 HydrophobicContact CE1-CD1 4.27Å |
| 182 | F | 97 | Very high | 97.1 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 176.6 | -85.6 | -80.8 | 0 | 0 | 0 | 112.9 | E178 H179 L185 N186 L259 L262 G263 | E178-F182 HydrophobicContact CG-CD2 3.81Å; E178-F182 HydrophobicContact CG-CE2 3.72Å; E178-F182 WeakPolarHBondContact O-CD2 3.36Å; E178-F182 PolarHBondContact O-N 2.9Å; H179-F182 PolarHBondContact O-N 3.15Å; F182-L185 HydrophobicContact CD1-CD2 3.86Å; F182-L185 HydrophobicContact CE1-CD2 4.01Å; F182-N186 WeakPolarHBondContact O-CB 3.47Å; F182-N186 PolarHBondContact O-N 3.47Å; F182-N186 PolarHBondContact O-ND2 2.87Å; F182-N186 VanDerWaalsContact O-ND2 3.1Å; F182-L259 HydrophobicContact CE1-CD1 4.12Å; F182-L259 HydrophobicContact CE1-CG 4.03Å; F182-L259 HydrophobicContact CZ-CB 4.4Å; F182-L259 HydrophobicContact CZ-CD1 4.17Å; F182-L259 HydrophobicContact CZ-CG 4.26Å; F182-L262 HydrophobicContact CE2-CB 4.02Å; F182-L262 HydrophobicContact CZ-CB 3.8Å; F182-G263 VanDerWaalsContact CE2-CA 3.49Å |
| 183 | H | 96.9 | Very high | 97.1 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.6 | -50.6 | 173.9 | -179.8 | 66.9 | 0 | 0 | 0 | 111.2 | H179 E180 F181 N186 L187 | H179-H183 PolarHBondContact O-N 3.46Å; E180-H183 WeakPolarHBondContact O-CB 3.46Å; E180-H183 PolarHBondContact O-N 2.78Å; F181-H183 VanDerWaalsContact C-N 3.27Å; F181-H183 PolarHBondContact O-N 2.68Å; H183-N186 PolarHBondContact O-N 2.92Å; H183-L187 WeakPolarHBondContact O-CG 3.39Å; H183-L187 PolarHBondContact O-N 2.98Å |
| 184 | I | 98.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.4 | -63.5 | 175.6 | 0 | 0 | 0 | 111.2 | V166 T170 P175 E180 F181 N186 L187 F188 | V166-I184 HydrophobicContact CG1-CG2 3.87Å; T170-I184 HydrophobicContact CG2-CG2 3.96Å; P175-I184 HydrophobicContact CG-CD1 3.7Å; E180-I184 PolarHBondContact O-N 3.06Å; F181-I184 PolarHBondContact O-N 3.45Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.23Å; I184-L187 WeakPolarHBondContact O-CB 3.21Å; I184-L187 PolarHBondContact O-N 3.45Å; I184-L187 VanDerWaalsContact O-N 3.13Å; I184-F188 HydrophobicContact CG2-CD2 3.83Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.33Å; I184-F188 PolarHBondContact O-N 2.87Å |
| 185 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.3 | -50 | 177.5 | -178.6 | 73.8 | 0 | 0 | 0 | 111.1 | F162 V166 F181 F182 L187 F188 F189 I192 L259 | F162-L185 HydrophobicContact CB-CD1 3.62Å; F162-L185 HydrophobicContact CD1-CD1 3.71Å; F162-L185 HydrophobicContact CG-CD1 3.79Å; V166-L185 HydrophobicContact CG2-CB 4.41Å; V166-L185 HydrophobicContact CG2-CD1 3.89Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 HydrophobicContact CZ-CD1 4.28Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 VanDerWaalsContact O-CB 3.24Å; F181-L185 WeakPolarHBondContact O-CB 3.13Å; F181-L185 PolarHBondContact O-N 3.37Å; F182-L185 HydrophobicContact CD1-CD2 3.86Å; F182-L185 HydrophobicContact CE1-CD2 4.01Å; L185-L187 PolarHBondContact O-N 3.38Å; L185-F188 PolarHBondContact O-N 3.45Å; L185-F189 HydrophobicContact CD1-CD2 3.69Å; L185-F189 HydrophobicContact CD1-CE2 4.28Å; L185-F189 HydrophobicContact CG-CD2 4.44Å; L185-F189 WeakPolarHBondContact O-CB 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.44Å; L185-F189 PolarHBondContact O-N 2.88Å; L185-I192 HydrophobicContact CD1-CD1 4.1Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.87Å; L185-L259 HydrophobicContact CD2-CD1 3.8Å; L185-L259 HydrophobicContact CD2-CG 4.37Å |
| 186 | N | 97.2 | Very high | 97.1 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.6 | -19.1 | -176.6 | -67.9 | -22.2 | 0 | 0 | 0 | 113.3 | F182 H183 I184 P190 | F182-N186 WeakPolarHBondContact O-CB 3.47Å; F182-N186 PolarHBondContact O-N 3.47Å; F182-N186 PolarHBondContact O-ND2 2.87Å; F182-N186 VanDerWaalsContact O-ND2 3.1Å; H183-N186 PolarHBondContact O-N 2.92Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.23Å; N186-P190 WeakPolarHBondContact O-CA 3.49Å |
| 187 | L | 97.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 38.8 Ų | 38.8 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.3 | -50.2 | 170.7 | -65.6 | 173.1 | 0 | 0 | 0 | 110.4 | L147 H183 I184 L185 | L147-L187 WeakPolarHBondContact CD2-O 3.28Å; H183-L187 WeakPolarHBondContact O-CG 3.39Å; H183-L187 PolarHBondContact O-N 2.98Å; I184-L187 WeakPolarHBondContact O-CB 3.21Å; I184-L187 PolarHBondContact O-N 3.45Å; I184-L187 VanDerWaalsContact O-N 3.13Å; L185-L187 PolarHBondContact O-N 3.38Å |
| 188 | F | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 36 Ų | 36 | 10% | 0.101 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.4 | -34.3 | -178.9 | -72.9 | -66.3 | 0 | 0 | 0 | 113.2 | M141 V146 L147 L169 T170 I184 L185 | M141-F188 HydrophobicContact CE-CE1 3.78Å; M141-F188 HydrophobicContact CE-CZ 4.25Å; M141-F188 HydrophobicContact SD-CE1 3.82Å; V146-F188 WeakPolarHBondContact CA-O 3.49Å; L147-F188 HydrophobicContact CD1-CD1 4.42Å; L147-F188 HydrophobicContact CD1-CE1 4.35Å; L147-F188 HydrophobicContact CD2-CD1 3.6Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.31Å; L147-F188 HydrophobicContact CG-CD1 3.86Å; L147-F188 HydrophobicContact CG-CE1 4.26Å; L147-F188 PolarHBondContact N-O 3.18Å; L169-F188 HydrophobicContact CB-CD1 4.31Å; L169-F188 HydrophobicContact CB-CD2 4.49Å; L169-F188 HydrophobicContact CB-CE1 3.98Å; L169-F188 HydrophobicContact CB-CE2 4.15Å; L169-F188 HydrophobicContact CB-CZ 3.89Å; L169-F188 HydrophobicContact CD1-CB 4.14Å; L169-F188 HydrophobicContact CD1-CD1 3.81Å; L169-F188 HydrophobicContact CD1-CD2 4.4Å; L169-F188 HydrophobicContact CD1-CE1 4.31Å; L169-F188 HydrophobicContact CD1-CG 3.87Å; T170-F188 HydrophobicContact CG2-CE2 3.82Å; T170-F188 HydrophobicContact CG2-CZ 4.31Å; I184-F188 HydrophobicContact CG2-CD2 3.83Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.33Å; I184-F188 PolarHBondContact O-N 2.87Å; L185-F188 PolarHBondContact O-N 3.45Å |
| 189 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -131.3 | 75.5 | -170.8 | -51.9 | -79 | 0 | 0 | 0 | 110.4 | V146 W153 F162 M165 V166 L169 L185 S191 I192 | V146-F189 HydrophobicContact CG1-CD1 4.42Å; V146-F189 HydrophobicContact CG1-CE1 3.74Å; V146-F189 HydrophobicContact CG1-CZ 4.16Å; W153-F189 AromaticContact CD1-CD1 3.87Å; W153-F189 AromaticContact CD2-CD1 3.66Å; W153-F189 HydrophobicContact CD2-CD1 3.66Å; W153-F189 HydrophobicContact CD2-CE1 4.05Å; W153-F189 AromaticContact CE2-CD1 3.37Å; W153-F189 AromaticContact CE2-CE1 3.64Å; W153-F189 HydrophobicContact CE3-CD1 4.26Å; W153-F189 HydrophobicContact CE3-CE1 4.28Å; W153-F189 AromaticContact CG-CD1 3.98Å; W153-F189 HydrophobicContact CG-CD1 3.98Å; W153-F189 HydrophobicContact CH2-CD1 4.32Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.72Å; W153-F189 HydrophobicContact CZ2-CD1 3.72Å; W153-F189 AromaticContact CZ2-CE1 3.46Å; W153-F189 HydrophobicContact CZ2-CE1 3.46Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.46Å; W153-F189 HydrophobicContact CZ3-CE1 4.13Å; W153-F189 AromaticContact NE1-CD1 3.52Å; F162-F189 HydrophobicContact CD1-CD1 4.4Å; F162-F189 AromaticContact CD1-CD2 4Å; F162-F189 HydrophobicContact CD1-CD2 4Å; F162-F189 HydrophobicContact CD1-CE1 4.49Å; F162-F189 HydrophobicContact CD1-CE2 4.1Å; F162-F189 HydrophobicContact CD1-CG 4.16Å; F162-F189 HydrophobicContact CD1-CZ 4.37Å; F162-F189 HydrophobicContact CE1-CB 4.33Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD2 4.15Å; F162-F189 HydrophobicContact CE1-CE1 4.14Å; F162-F189 HydrophobicContact CE1-CE2 4.46Å; F162-F189 AromaticContact CE1-CG 3.83Å; F162-F189 HydrophobicContact CE1-CG 3.83Å; F162-F189 HydrophobicContact CE1-CZ 4.46Å; M165-F189 HydrophobicContact CB-CE2 4.13Å; M165-F189 HydrophobicContact CB-CZ 3.75Å; M165-F189 HydrophobicContact CE-CE1 4.35Å; M165-F189 HydrophobicContact CE-CZ 4.06Å; M165-F189 HydrophobicContact CG-CZ 4.39Å; V166-F189 HydrophobicContact CG2-CE2 4.47Å; L169-F189 HydrophobicContact CD1-CE2 3.95Å; L169-F189 HydrophobicContact CD1-CZ 3.56Å; L185-F189 HydrophobicContact CD1-CD2 3.69Å; L185-F189 HydrophobicContact CD1-CE2 4.28Å; L185-F189 HydrophobicContact CG-CD2 4.44Å; L185-F189 WeakPolarHBondContact O-CB 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.44Å; L185-F189 PolarHBondContact O-N 2.88Å; F189-S191 PolarHBondContact O-N 3.14Å; F189-I192 HydrophobicContact CB-CD1 3.64Å; F189-I192 HydrophobicContact CB-CG1 3.77Å; F189-I192 HydrophobicContact CG-CD1 4.47Å | ||
| 190 | P | 97 | Very high | 97.4 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 23% | 0.234 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -61.5 | -30.8 | -172.2 | -25.6 | 35.7 | 0 | 0 | 0 | 114 | N186 | N186-P190 WeakPolarHBondContact O-CA 3.49Š|
| 191 | S | 97.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 111.3 | 179 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | W153 F189 | W153-S191 WeakPolarHBondContact CB-O 3.08Å; W153-S191 PolarHBondContact N-O 3.27Å; F189-S191 PolarHBondContact O-N 3.14Å |
| 192 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133 | 175.9 | -60.1 | 164 | 0 | 0 | 0 | 109.8 | W153 F162 L185 F189 C256 G257 L259 | W153-I192 HydrophobicContact CB-CG1 4.13Å; W153-I192 CarbonylContact O-C 3.6Å; W153-I192 WeakPolarHBondContact O-CA 3.28Å; F162-I192 HydrophobicContact CD1-CD1 4.28Å; F162-I192 HydrophobicContact CD2-CD1 4.4Å; F162-I192 HydrophobicContact CD2-CG2 4.5Å; F162-I192 HydrophobicContact CE1-CD1 3.92Å; F162-I192 HydrophobicContact CE1-CG1 4.16Å; F162-I192 HydrophobicContact CE2-CD1 4.04Å; F162-I192 HydrophobicContact CE2-CG1 4.25Å; F162-I192 HydrophobicContact CE2-CG2 3.52Å; F162-I192 HydrophobicContact CZ-CB 4.39Å; F162-I192 HydrophobicContact CZ-CD1 3.79Å; F162-I192 HydrophobicContact CZ-CG1 3.75Å; F162-I192 HydrophobicContact CZ-CG2 3.71Å; L185-I192 HydrophobicContact CD1-CD1 4.1Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.87Å; F189-I192 HydrophobicContact CB-CD1 3.64Å; F189-I192 HydrophobicContact CB-CG1 3.77Å; F189-I192 HydrophobicContact CG-CD1 4.47Å; I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.5Å; I192-G257 PolarHBondContact O-N 3.13Å; I192-L259 HydrophobicContact CD1-CD2 4.48Å; I192-L259 HydrophobicContact CG2-CD2 3.85Å |
| 193 | Y | 98.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.5 | 166.4 | -53.1 | -76.8 | 0 | 0 | 0 | 110.5 | K152 W153 L154 S155 V195 F238 I250 D252 C256 | K152-Y193 HydrophobicContact CB-CE2 4.35Å; K152-Y193 HydrophobicContact CD-CE2 3.67Å; K152-Y193 PolarHBondContact NZ-OH 3.01Å; W153-Y193 PolarHBondContact O-N 3.38Å; L154-Y193 HydrophobicContact CD2-CD2 3.95Å; S155-Y193 PolarHBondContact N-O 3.01Å; S155-Y193 VanDerWaalsContact N-O 3.11Å; Y193-V195 PolarHBondContact O-N 3.45Å; Y193-F238 HydrophobicContact CD2-CE2 4.06Å; Y193-F238 HydrophobicContact CD2-CZ 4.08Å; Y193-F238 HydrophobicContact CG-CE2 4.01Å; Y193-F238 HydrophobicContact CG-CZ 4.44Å; Y193-I250 HydrophobicContact CD1-CG2 3.88Å; Y193-I250 HydrophobicContact CE1-CB 4.43Å; Y193-I250 HydrophobicContact CE1-CG2 3.65Å; Y193-D252 PolarHBondContact OH-OD1 3.37Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å |
| 194 | D | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 108.6 | 172.6 | -170.8 | -40.1 | 0 | 0 | 0 | 109.5 | H157 S158 K196 Y197 L198 R258 Y260 | H157-D194 PolarHBondContact N-OD1 3.11Å; H157-D194 PolarHBondContact N-OD2 3.45Å; S158-D194 PolarHBondContact N-OD2 2.94Å; S158-D194 PolarHBondContact OG-OD2 2.94Å; D194-K196 PolarHBondContact O-N 3.35Å; D194-K196 VanDerWaalsContact O-N 3.16Å; D194-K196 WeakPolarHBondContact OD1-CA 3.33Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 PolarHBondContact OD1-N 2.97Å; D194-Y197 WeakPolarHBondContact O-CA 3.25Å; D194-Y197 VanDerWaalsContact O-CB 3.29Å; D194-Y197 WeakPolarHBondContact O-CB 3.31Å; D194-Y197 PolarHBondContact O-N 2.87Å; D194-Y197 PolarHBondContact OD1-N 3.13Å; D194-L198 WeakPolarHBondContact O-CD1 3.42Å; D194-L198 PolarHBondContact O-N 3.24Å; D194-R258 VanDerWaalsContact CB-O 3.28Å; D194-R258 WeakPolarHBondContact CB-O 3.45Å; D194-Y260 PolarHBondContact OD2-N 3.19Å |
| 195 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.4 | -39.5 | -179.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | S155 F156 Y193 Y197 L198 M199 T234 F238 M241 | S155-V195 WeakPolarHBondContact O-CB 3.36Å; S155-V195 WeakPolarHBondContact O-CG2 3.1Å; S155-V195 PolarHBondContact O-N 3.34Å; F156-V195 HydrophobicContact CD2-CB 3.87Å; F156-V195 HydrophobicContact CD2-CG1 3.77Å; F156-V195 HydrophobicContact CE2-CG1 4.16Å; Y193-V195 PolarHBondContact O-N 3.45Å; V195-Y197 VanDerWaalsContact C-N 3.27Å; V195-Y197 PolarHBondContact O-N 3.28Å; V195-L198 PolarHBondContact O-N 2.9Å; V195-M199 HydrophobicContact CG1-CG 4.42Å; V195-M199 HydrophobicContact CG1-SD 4.26Å; V195-M199 WeakPolarHBondContact O-CG 3.42Å; V195-M199 PolarHBondContact O-N 3.33Å; V195-T234 HydrophobicContact CG2-CG2 4.43Å; V195-F238 HydrophobicContact CG2-CB 3.8Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.47Å; V195-M241 HydrophobicContact CB-CE 4.34Å; V195-M241 HydrophobicContact CG1-CE 3.88Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.31Å |
| 196 | K | 97.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -33.5 | 177.8 | -169.8 | 76.2 | -178.8 | -159.3 | 0 | 112 | F156 H157 D194 M199 G207 Y260 | F156-K196 HydrophobicContact CD2-CB 4.42Å; F156-K196 HydrophobicContact CE1-CB 4.5Å; F156-K196 HydrophobicContact CE1-CD 3.82Å; F156-K196 HydrophobicContact CE2-CB 4.37Å; F156-K196 HydrophobicContact CE2-CD 4.1Å; F156-K196 HydrophobicContact CZ-CB 4.41Å; F156-K196 HydrophobicContact CZ-CD 3.51Å; H157-K196 HydrophobicContact CB-CB 4.08Å; H157-K196 HydrophobicContact CB-CG 4.1Å; D194-K196 PolarHBondContact O-N 3.35Å; D194-K196 VanDerWaalsContact O-N 3.16Å; D194-K196 WeakPolarHBondContact OD1-CA 3.33Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 PolarHBondContact OD1-N 2.97Å; K196-M199 HydrophobicContact CD-CE 4.3Å; K196-M199 HydrophobicContact CD-SD 4.15Å; K196-G207 PolarHBondContact NZ-O 2.84Å; K196-Y260 HydrophobicContact CB-CD2 4.16Å; K196-Y260 HydrophobicContact CB-CG 4.16Å; K196-Y260 HydrophobicContact CG-CD1 4.1Å; K196-Y260 HydrophobicContact CG-CD2 3.47Å; K196-Y260 VanDerWaalsContact CG-CD2 3.47Å; K196-Y260 HydrophobicContact CG-CE1 4.42Å; K196-Y260 HydrophobicContact CG-CE2 3.85Å; K196-Y260 HydrophobicContact CG-CG 3.6Å |
| 197 | Y | 96.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -46.1 | 173 | -173.3 | -88.1 | 0 | 0 | 0 | 111.5 | D194 V195 M199 K200 Y255 R258 | D194-Y197 WeakPolarHBondContact O-CA 3.25Å; D194-Y197 VanDerWaalsContact O-CB 3.29Å; D194-Y197 WeakPolarHBondContact O-CB 3.31Å; D194-Y197 PolarHBondContact O-N 2.87Å; D194-Y197 PolarHBondContact OD1-N 3.13Å; V195-Y197 VanDerWaalsContact C-N 3.27Å; V195-Y197 PolarHBondContact O-N 3.28Å; Y197-M199 VanDerWaalsContact C-N 3.27Å; Y197-M199 PolarHBondContact O-N 3.1Å; Y197-K200 HydrophobicContact CD2-CD 4.4Å; Y197-K200 VanDerWaalsContact O-CB 3.3Å; Y197-K200 WeakPolarHBondContact O-CB 3.24Å; Y197-K200 WeakPolarHBondContact O-CG 3.36Å; Y197-K200 PolarHBondContact O-N 3.26Å; Y197-K200 VanDerWaalsContact O-N 3.09Å; Y197-Y255 HydrophobicContact CD1-CD1 4.09Å; Y197-Y255 HydrophobicContact CE1-CD1 4.02Å; Y197-R258 HydrophobicContact CD1-CB 3.65Å; Y197-R258 HydrophobicContact CD1-CG 4.33Å; Y197-R258 HydrophobicContact CD2-CB 3.96Å; Y197-R258 HydrophobicContact CE1-CB 3.57Å; Y197-R258 HydrophobicContact CE1-CG 3.79Å; Y197-R258 HydrophobicContact CE2-CB 3.88Å; Y197-R258 HydrophobicContact CE2-CG 4.46Å; Y197-R258 HydrophobicContact CG-CB 3.85Å |
| 198 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -38.8 | 178 | -83.8 | 78.1 | 0 | 0 | 0 | 112.1 | D194 V195 K200 S201 F238 M241 F246 I250 Y255 | D194-L198 WeakPolarHBondContact O-CD1 3.42Å; D194-L198 PolarHBondContact O-N 3.24Å; V195-L198 PolarHBondContact O-N 2.9Å; L198-K200 PolarHBondContact O-N 3.06Å; L198-S201 PolarHBondContact O-N 3.48Å; L198-F238 HydrophobicContact CD2-CE2 4.25Å; L198-M241 HydrophobicContact CB-CE 3.49Å; L198-M241 VanDerWaalsContact CB-CE 3.49Å; L198-M241 HydrophobicContact CB-SD 4.04Å; L198-M241 HydrophobicContact CD2-CE 3.61Å; L198-M241 HydrophobicContact CG-CE 4.17Å; L198-F246 HydrophobicContact CB-CE2 4.4Å; L198-F246 HydrophobicContact CB-CZ 4.14Å; L198-F246 HydrophobicContact CD2-CE2 4.31Å; L198-F246 HydrophobicContact CD2-CZ 4.3Å; L198-F246 HydrophobicContact CG-CZ 4.38Å; L198-I250 HydrophobicContact CD2-CD1 3.83Å; L198-I250 HydrophobicContact CD2-CG1 4.41Å; L198-I250 HydrophobicContact CD2-CG2 4.36Å; L198-Y255 HydrophobicContact CD1-CD1 4.39Å; L198-Y255 HydrophobicContact CG-CD1 4.01Å; L198-Y255 HydrophobicContact CG-CG 4.24Å |
| 199 | M | 96.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -54.6 | -24.5 | 176.5 | -74.1 | 164.9 | 59.3 | 0 | 0 | 113.7 | F156 V195 K196 Y197 S201 C202 L205 V212 M241 | F156-M199 HydrophobicContact CE2-SD 3.66Å; F156-M199 HydrophobicContact CZ-SD 4.22Å; V195-M199 HydrophobicContact CG1-CG 4.42Å; V195-M199 HydrophobicContact CG1-SD 4.26Å; V195-M199 WeakPolarHBondContact O-CG 3.42Å; V195-M199 PolarHBondContact O-N 3.33Å; K196-M199 HydrophobicContact CD-CE 4.3Å; K196-M199 HydrophobicContact CD-SD 4.15Å; Y197-M199 VanDerWaalsContact C-N 3.27Å; Y197-M199 PolarHBondContact O-N 3.1Å; M199-S201 PolarHBondContact O-N 3.15Å; M199-S201 VanDerWaalsContact O-N 3.15Å; M199-C202 PolarHBondContact O-N 2.9Å; M199-L205 HydrophobicContact CB-CB 4.48Å; M199-L205 HydrophobicContact CE-CB 4.29Å; M199-L205 HydrophobicContact CG-CB 4.22Å; M199-L205 HydrophobicContact CG-CD1 4.39Å; M199-V212 HydrophobicContact CE-CG2 3.23Å; M199-V212 HydrophobicContact SD-CG1 4.21Å; M199-V212 HydrophobicContact SD-CG2 3.65Å; M199-M241 HydrophobicContact CG-SD 4Å |
| 200 | K | 93.9 | Very high | 95.3 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -59.9 | -24.9 | 174.6 | -66.1 | 178.9 | 177.2 | 174.9 | 0 | 112.9 | Y197 L198 | Y197-K200 HydrophobicContact CD2-CD 4.4Å; Y197-K200 VanDerWaalsContact O-CB 3.3Å; Y197-K200 WeakPolarHBondContact O-CB 3.24Å; Y197-K200 WeakPolarHBondContact O-CG 3.36Å; Y197-K200 PolarHBondContact O-N 3.26Å; Y197-K200 VanDerWaalsContact O-N 3.09Å; L198-K200 PolarHBondContact O-N 3.06Å |
| 201 | S | 93.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -94.2 | -5 | 176 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | L198 M199 Y255 | L198-S201 PolarHBondContact O-N 3.48Å; M199-S201 PolarHBondContact O-N 3.15Å; M199-S201 VanDerWaalsContact O-N 3.15Å; S201-Y255 WeakPolarHBondContact CB-OH 2.96Å; S201-Y255 PolarHBondContact OG-OH 3.44Å |
| 202 | C | 92.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -98.5 | 117.4 | -179.2 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | M199 N204 L205 F245 F246 | M199-C202 PolarHBondContact O-N 2.9Å; C202-N204 PolarHBondContact O-N 2.49Å; C202-L205 HydrophobicContact CB-CB 4.04Å; C202-L205 HydrophobicContact CB-CD1 3.77Å; C202-L205 HydrophobicContact CB-CG 4.16Å; C202-F245 HydrophobicContact CB-CD1 3.84Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.1Å; C202-F245 HydrophobicContact CB-CG 3.99Å; C202-F245 HydrophobicContact CB-CZ 4.49Å; C202-F246 VanDerWaalsContact SG-CE2 3.52Å |
| 203 | K | 87.3 | Confident | 95.2 | Very high | 179 Ų | 179 | 48.1 Ų | 48.1 | 78% | 0.778 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 132.1 | 175.6 | -67.3 | -179.1 | -176.8 | 173.8 | 0 | 108.9 | L205 | K203-L205 VanDerWaalsContact C-N 3.31Å; K203-L205 PolarHBondContact O-N 3.31Å |
| 204 | N | 86.3 | Confident | 95.1 | Very high | 147 Ų | 147 | 52.5 Ų | 52.5 | 79% | 0.786 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | -0 | 175.1 | -50.1 | -33.8 | 0 | 0 | 0 | 117.5 | C202 Q215 | C202-N204 PolarHBondContact O-N 2.49Å; N204-Q215 PolarHBondContact O-OE1 2.93Å |
| 205 | L | 91.6 | Very high | 95 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | trans | -86.3 | 116.6 | 168.9 | -75 | -178.4 | 0 | 0 | 0 | 111.1 | M199 C202 K203 Q215 L216 M241 F245 | M199-L205 HydrophobicContact CB-CB 4.48Å; M199-L205 HydrophobicContact CE-CB 4.29Å; M199-L205 HydrophobicContact CG-CB 4.22Å; M199-L205 HydrophobicContact CG-CD1 4.39Å; C202-L205 HydrophobicContact CB-CB 4.04Å; C202-L205 HydrophobicContact CB-CD1 3.77Å; C202-L205 HydrophobicContact CB-CG 4.16Å; K203-L205 VanDerWaalsContact C-N 3.31Å; K203-L205 PolarHBondContact O-N 3.31Å; L205-Q215 HydrophobicContact CD2-CB 3.86Å; L205-L216 HydrophobicContact CD1-CD2 4.2Å; L205-L216 HydrophobicContact CD2-CD2 4.05Å; L205-L216 HydrophobicContact CD2-CG 4.19Å; L205-M241 HydrophobicContact CD1-CG 4.18Å; L205-M241 HydrophobicContact CD1-SD 4.34Å; L205-F245 HydrophobicContact CD1-CD2 4.09Å; L205-F245 HydrophobicContact CD1-CE2 3.56Å; L205-F245 HydrophobicContact CD1-CZ 3.95Å; L205-F245 HydrophobicContact CG-CE2 4.12Å; L205-F245 HydrophobicContact CG-CZ 4.01Å | ||
| 206 | K | 93.4 | Very high | 94.9 | Very high | 161 Ų | 161 | 56.9 Ų | 56.9 | 70% | 0.7 | 29% | 0.287 | S | S | * | . | trans | -145.5 | 164.1 | 178.1 | -62.8 | -176.6 | -177.4 | 177 | 0 | 110.4 | Q215 | K206-Q215 PolarHBondContact O-NE2 2.89Š| ||
| 207 | G | 96 | Very high | 94.9 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 100.5 | -179.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K196 E211 | K196-G207 PolarHBondContact NZ-O 2.84Å; G207-E211 VanDerWaalsContact C-OE2 3.27Å; G207-E211 WeakPolarHBondContact CA-OE2 3.29Å |
| 208 | G | 96.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -69.6 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q210 E211 V212 | G208-Q210 VanDerWaalsContact C-N 3.3Å; G208-Q210 PolarHBondContact O-N 2.82Å; G208-E211 PolarHBondContact N-OE2 3.01Å; G208-E211 PolarHBondContact O-N 3.37Å; G208-E211 VanDerWaalsContact O-N 3.13Å; G208-V212 WeakPolarHBondContact O-CG2 3.39Å; G208-V212 PolarHBondContact O-N 3Å |
| 209 | L | 97.5 | Very high | 94.9 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.4 | -44.3 | -175.5 | 178.2 | 62.1 | 0 | 0 | 0 | 112.2 | F156 V212 A213 D230 L233 T234 A237 | F156-L209 HydrophobicContact CB-CD1 4.34Å; F156-L209 HydrophobicContact CD1-CB 3.96Å; F156-L209 HydrophobicContact CD2-CB 4.41Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.95Å; F156-L209 HydrophobicContact CE2-CB 4.4Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.2Å; F156-L209 HydrophobicContact CG-CD1 4.02Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-L209 VanDerWaalsContact CZ-N 3.34Å; L209-V212 PolarHBondContact O-N 3.5Å; L209-A213 WeakPolarHBondContact O-CB 3.06Å; L209-A213 PolarHBondContact O-N 3.19Å; L209-D230 HydrophobicContact CD2-CB 4.11Å; L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.4Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.37Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.45Å; L209-A237 HydrophobicContact CD1-CB 4.47Å |
| 210 | Q | 97.2 | Very high | 95 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 177.6 | -172.1 | 59.1 | 54.5 | 0 | 0 | 112.4 | G208 V212 A213 D214 | G208-Q210 VanDerWaalsContact C-N 3.3Å; G208-Q210 PolarHBondContact O-N 2.82Å; Q210-V212 PolarHBondContact O-N 3Å; Q210-A213 WeakPolarHBondContact O-CB 3.28Å; Q210-A213 PolarHBondContact O-N 3.34Å; Q210-D214 PolarHBondContact NE2-OD1 3.4Å; Q210-D214 PolarHBondContact O-N 3.14Å |
| 211 | E | 97.2 | Very high | 95.1 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 179.2 | -62.3 | 174.7 | 146.2 | 0 | 0 | 111.6 | G207 G208 Q215 | G207-E211 VanDerWaalsContact C-OE2 3.27Å; G207-E211 WeakPolarHBondContact CA-OE2 3.29Å; G208-E211 PolarHBondContact N-OE2 3.01Å; G208-E211 PolarHBondContact O-N 3.37Å; G208-E211 VanDerWaalsContact O-N 3.13Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.16Å; E211-Q215 VanDerWaalsContact O-N 3.11Å; E211-Q215 PolarHBondContact O-NE2 3.22Å |
| 212 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | F156 M199 G208 L209 Q210 D214 Q215 L216 | F156-V212 HydrophobicContact CE2-CB 4.48Å; F156-V212 HydrophobicContact CE2-CG2 4.16Å; F156-V212 HydrophobicContact CZ-CG2 4.26Å; M199-V212 HydrophobicContact CE-CG2 3.23Å; M199-V212 HydrophobicContact SD-CG1 4.21Å; M199-V212 HydrophobicContact SD-CG2 3.65Å; G208-V212 WeakPolarHBondContact O-CG2 3.39Å; G208-V212 PolarHBondContact O-N 3Å; L209-V212 PolarHBondContact O-N 3.5Å; Q210-V212 PolarHBondContact O-N 3Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.24Å; V212-Q215 PolarHBondContact O-N 3.41Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.4Å; V212-L216 WeakPolarHBondContact O-CB 3.01Å; V212-L216 VanDerWaalsContact O-CG 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.44Å; V212-L216 PolarHBondContact O-N 3.34Å |
| 213 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L209 Q210 Q215 L216 D217 L218 L233 | L209-A213 WeakPolarHBondContact O-CB 3.06Å; L209-A213 PolarHBondContact O-N 3.19Å; Q210-A213 WeakPolarHBondContact O-CB 3.28Å; Q210-A213 PolarHBondContact O-N 3.34Å; A213-Q215 VanDerWaalsContact C-N 3.34Å; A213-Q215 PolarHBondContact O-N 2.56Å; A213-L216 CarbonylContact O-C 3.51Å; A213-L216 PolarHBondContact O-N 3.34Å; A213-L216 VanDerWaalsContact O-N 3.13Å; A213-D217 PolarHBondContact O-N 3.43Å; A213-D217 VanDerWaalsContact O-N 3.14Å; A213-L218 HydrophobicContact CB-CB 4.1Å; A213-L218 PolarHBondContact O-N 2.95Å; A213-L233 HydrophobicContact CB-CD1 3.69Å; A213-L233 HydrophobicContact CB-CD2 3.72Å; A213-L233 HydrophobicContact CB-CG 3.9Å |
| 214 | D | 97.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177 | -60.9 | -18.6 | 0 | 0 | 0 | 111.5 | Q210 V212 L216 D217 | Q210-D214 PolarHBondContact NE2-OD1 3.4Å; Q210-D214 PolarHBondContact O-N 3.14Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.24Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 2.85Å; D214-D217 PolarHBondContact O-N 3.16Å |
| 215 | Q | 96.5 | Very high | 96 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.9 | -22.8 | 175.8 | -76.1 | 163.5 | 64.7 | 0 | 0 | 114 | N204 L205 K206 E211 V212 A213 | N204-Q215 PolarHBondContact O-OE1 2.93Å; L205-Q215 HydrophobicContact CD2-CB 3.86Å; K206-Q215 PolarHBondContact O-NE2 2.89Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.16Å; E211-Q215 VanDerWaalsContact O-N 3.11Å; E211-Q215 PolarHBondContact O-NE2 3.22Å; V212-Q215 PolarHBondContact O-N 3.41Å; A213-Q215 VanDerWaalsContact C-N 3.34Å; A213-Q215 PolarHBondContact O-N 2.56Å |
| 216 | L | 95.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.8 | 178.3 | -67.9 | 176.4 | 0 | 0 | 0 | 112.7 | L205 V212 A213 D214 L218 A237 R240 M241 L244 F245 | L205-L216 HydrophobicContact CD1-CD2 4.2Å; L205-L216 HydrophobicContact CD2-CD2 4.05Å; L205-L216 HydrophobicContact CD2-CG 4.19Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.4Å; V212-L216 WeakPolarHBondContact O-CB 3.01Å; V212-L216 VanDerWaalsContact O-CG 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.44Å; V212-L216 PolarHBondContact O-N 3.34Å; A213-L216 CarbonylContact O-C 3.51Å; A213-L216 PolarHBondContact O-N 3.34Å; A213-L216 VanDerWaalsContact O-N 3.13Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 2.85Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 HydrophobicContact CB-CD1 3.79Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.07Å; L216-L218 PolarHBondContact O-N 3.19Å; L216-A237 HydrophobicContact CD1-CB 4.21Å; L216-R240 HydrophobicContact CB-CG 4.05Å; L216-R240 HydrophobicContact CD2-CG 4.25Å; L216-M241 HydrophobicContact CD1-CB 4.46Å; L216-L244 HydrophobicContact CD2-CD1 3.97Å; L216-F245 HydrophobicContact CD2-CE2 4.14Å |
| 217 | D | 97.1 | Very high | 96.5 | Very high | 149 Ų | 149 | 56.3 Ų | 56.3 | 80% | 0.797 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.1 | -175.2 | -61.8 | -55.1 | 0 | 0 | 0 | 113 | A213 D214 | A213-D217 PolarHBondContact O-N 3.43Å; A213-D217 VanDerWaalsContact O-N 3.14Å; D214-D217 PolarHBondContact O-N 3.16Å |
| 218 | L | 97.1 | Very high | 96.6 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 132.5 | -178.7 | -61.3 | 175.2 | 0 | 0 | 0 | 111.6 | A213 L216 L233 M236 A237 R240 | A213-L218 HydrophobicContact CB-CB 4.1Å; A213-L218 PolarHBondContact O-N 2.95Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 HydrophobicContact CB-CD1 3.79Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.07Å; L216-L218 PolarHBondContact O-N 3.19Å; L218-L233 HydrophobicContact CB-CD1 4.27Å; L218-M236 HydrophobicContact CD1-CB 4.03Å; L218-M236 HydrophobicContact CD2-CB 4.37Å; L218-M236 HydrophobicContact CD2-CE 4.34Å; L218-A237 HydrophobicContact CD1-CB 4.1Å; L218-R240 HydrophobicContact CD1-CB 4.25Å; L218-R240 HydrophobicContact CD2-CB 4.1Å; L218-R240 HydrophobicContact CD2-CG 4.11Å |
| 219 | Q | 96.7 | Very high | 96.7 | Very high | 150 Ų | 150 | 53.8 Ų | 53.8 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 120.9 | 175.7 | -173.9 | 179.3 | -8.4 | 0 | 0 | 110.9 | M236 | Q219-M236 WeakPolarHBondContact O-CE 3.37Š|
| 220 | R | 97.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.4 | 173.4 | 178.3 | 179.6 | -69.6 | -86.7 | 9.5 | 112 | S229 D230 L233 | R220-S229 PolarHBondContact NH1-OG 3.33Å; R220-D230 IonicContact CZ-OD1 3.87Å; R220-D230 IonicContact NH1-OD1 2.65Å; R220-D230 PolarHBondContact NH1-OD1 2.92Å; R220-D230 IonicContact NH1-OD2 3.55Å; R220-D230 IonicContact NH2-OD1 2.68Å; R220-D230 PolarHBondContact NH2-OD1 3Å; R220-L233 HydrophobicContact CB-CD2 4.44Å |
| 221 | I | 96.1 | Very high | 96.9 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | trans | -117.5 | 128.2 | 169.3 | -61 | 171.4 | 0 | 0 | 0 | 108.3 | N8 V11 S229 L232 | N8-I221 HydrophobicContact CB-CG2 4.16Å; N8-I221 WeakPolarHBondContact O-CG2 3.32Å; V11-I221 HydrophobicContact CG2-CG2 3.91Å; I221-S229 WeakPolarHBondContact O-CB 3.17Å; I221-S229 PolarHBondContact O-OG 3.07Å; I221-L232 HydrophobicContact CB-CD2 3.84Å; I221-L232 HydrophobicContact CD1-CD2 4.45Å; I221-L232 HydrophobicContact CG2-CD2 4.18Å | ||
| 222 | G | 95.3 | Very high | 96.9 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 92.1 | -173.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 223 | R | 94.5 | Very high | 97 | Very high | 148 Ų | 148 | 46.2 Ų | 46.2 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | trans | -85.6 | 137.9 | -176.9 | -68.2 | -179.3 | 177.9 | 176.7 | 0.9 | 110.4 | Q226 S229 | R223-Q226 HydrophobicContact CB-CG 3.99Å; R223-S229 WeakPolarHBondContact O-CB 3.48Å; R223-S229 PolarHBondContact O-OG 3.39Å | ||
| 224 | Q | 94.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 40% | 0.397 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -67.4 | 147.2 | 172.7 | -175.5 | -178.9 | -5.9 | 0 | 0 | 109.8 | Q226 | Q224-Q226 VanDerWaalsContact C-N 3.33Š|
| 225 | H | 94.3 | Very high | 97.2 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 32% | 0.319 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 61.9 | 43.7 | -176.4 | -57.2 | -61.9 | 0 | 0 | 0 | 111.9 | E42 L115 S119 D230 | E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.2Å; L115-H225 HydrophobicContact CD2-CB 3.95Å; S119-H225 WeakPolarHBondContact OG-CB 3.37Å; H225-D230 WeakPolarHBondContact CA-OD2 3.29Å; H225-D230 PolarHBondContact N-OD2 2.91Å |
| 226 | Q | 98 | Very high | 97.3 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -139.5 | 128 | 166.7 | -65.5 | -157.3 | 4.3 | 0 | 0 | 107.6 | E42 S119 L121 R223 Q224 G228 S229 D230 | E42-Q226 PolarHBondContact OE1-N 3.37Å; S119-Q226 PolarHBondContact O-NE2 2.89Å; L121-Q226 HydrophobicContact CD1-CG 3.78Å; R223-Q226 HydrophobicContact CB-CG 3.99Å; Q224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-G228 PolarHBondContact O-N 3.49Å; Q226-S229 PolarHBondContact O-N 3.31Å; Q226-D230 PolarHBondContact N-OD2 3.07Å; Q226-D230 PolarHBondContact O-N 2.8Å |
| 227 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.9 | -37.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E42 Q76 G78 S231 | E42-A227 HydrophobicContact CG-CB 4.13Å; Q76-A227 HydrophobicContact CB-CB 3.71Å; G78-A227 WeakPolarHBondContact CA-O 3.46Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.22Å; A227-S231 PolarHBondContact O-OG 2.81Å |
| 228 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -56.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T94 Q226 D230 S231 L232 | T94-G228 VanDerWaalsContact CG2-O 3.29Å; T94-G228 WeakPolarHBondContact CG2-O 3.43Å; Q226-G228 PolarHBondContact O-N 3.49Å; G228-D230 VanDerWaalsContact C-N 3.35Å; G228-D230 PolarHBondContact O-N 3.18Å; G228-S231 PolarHBondContact O-N 2.98Å; G228-S231 PolarHBondContact O-OG 3.05Å; G228-L232 PolarHBondContact O-N 2.87Å |
| 229 | S | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 179.3 | 162.9 | 0 | 0 | 0 | 0 | 112.7 | R220 I221 R223 Q226 L232 L233 | R220-S229 PolarHBondContact NH1-OG 3.33Å; I221-S229 WeakPolarHBondContact O-CB 3.17Å; I221-S229 PolarHBondContact O-OG 3.07Å; R223-S229 WeakPolarHBondContact O-CB 3.48Å; R223-S229 PolarHBondContact O-OG 3.39Å; Q226-S229 PolarHBondContact O-N 3.31Å; S229-L232 PolarHBondContact O-N 3.45Å; S229-L233 WeakPolarHBondContact O-CB 3.33Å; S229-L233 PolarHBondContact O-N 2.61Å |
| 230 | D | 98.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.1 | -37 | 177.3 | -74.5 | -51.4 | 0 | 0 | 0 | 112.7 | D40 L209 R220 H225 Q226 G228 L232 L233 T234 | D40-D230 HydrophobicContact CB-CB 4.01Å; D40-D230 WeakPolarHBondContact OD2-CB 3.49Å; L209-D230 HydrophobicContact CD2-CB 4.11Å; R220-D230 IonicContact CZ-OD1 3.87Å; R220-D230 IonicContact NH1-OD1 2.65Å; R220-D230 PolarHBondContact NH1-OD1 2.92Å; R220-D230 IonicContact NH1-OD2 3.55Å; R220-D230 IonicContact NH2-OD1 2.68Å; R220-D230 PolarHBondContact NH2-OD1 3Å; H225-D230 WeakPolarHBondContact CA-OD2 3.29Å; H225-D230 PolarHBondContact N-OD2 2.91Å; Q226-D230 PolarHBondContact N-OD2 3.07Å; Q226-D230 PolarHBondContact O-N 2.8Å; G228-D230 VanDerWaalsContact C-N 3.35Å; G228-D230 PolarHBondContact O-N 3.18Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.2Å; D230-L233 PolarHBondContact O-N 3.15Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.16Å; D230-T234 PolarHBondContact O-OG1 2.98Å |
| 231 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 171.6 | 77.1 | 0 | 0 | 0 | 0 | 111.9 | A38 G78 T80 A227 G228 T234 G235 | A38-S231 WeakPolarHBondContact CB-O 3.49Å; G78-S231 WeakPolarHBondContact O-CB 3.48Å; T80-S231 PolarHBondContact OG1-OG 2.8Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.22Å; A227-S231 PolarHBondContact O-OG 2.81Å; G228-S231 PolarHBondContact O-N 2.98Å; G228-S231 PolarHBondContact O-OG 3.05Å; S231-T234 WeakPolarHBondContact O-CB 2.84Å; S231-T234 PolarHBondContact O-N 3.5Å; S231-G235 PolarHBondContact O-N 3.31Å |
| 232 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -47 | 177.4 | 177 | 57.1 | 0 | 0 | 0 | 110.9 | V11 T80 Y88 I221 G228 S229 D230 T234 G235 M236 | V11-L232 HydrophobicContact CG2-CD2 4.28Å; T80-L232 HydrophobicContact CG2-CB 4.41Å; T80-L232 HydrophobicContact CG2-CD1 3.66Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.35Å; T80-L232 PolarHBondContact OG1-N 2.8Å; Y88-L232 HydrophobicContact CE1-CD1 3.67Å; I221-L232 HydrophobicContact CB-CD2 3.84Å; I221-L232 HydrophobicContact CD1-CD2 4.45Å; I221-L232 HydrophobicContact CG2-CD2 4.18Å; G228-L232 PolarHBondContact O-N 2.87Å; S229-L232 PolarHBondContact O-N 3.45Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.2Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 3.02Å; L232-G235 PolarHBondContact O-N 2.81Å; L232-M236 HydrophobicContact CG-SD 4.42Å; L232-M236 WeakPolarHBondContact O-CG 3.47Å; L232-M236 PolarHBondContact O-N 2.79Å |
| 233 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | 176.8 | -168.2 | 62 | 0 | 0 | 0 | 112.1 | L209 A213 L218 R220 S229 D230 M236 A237 | L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.4Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.37Å; A213-L233 HydrophobicContact CB-CD1 3.69Å; A213-L233 HydrophobicContact CB-CD2 3.72Å; A213-L233 HydrophobicContact CB-CG 3.9Å; L218-L233 HydrophobicContact CB-CD1 4.27Å; R220-L233 HydrophobicContact CB-CD2 4.44Å; S229-L233 WeakPolarHBondContact O-CB 3.33Å; S229-L233 PolarHBondContact O-N 2.61Å; D230-L233 PolarHBondContact O-N 3.15Å; L233-M236 HydrophobicContact CD1-SD 4.33Å; L233-M236 PolarHBondContact O-N 3.12Å; L233-A237 VanDerWaalsContact O-CB 3.31Å; L233-A237 WeakPolarHBondContact O-CB 3.42Å; L233-A237 PolarHBondContact O-N 2.8Å |
| 234 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.4 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | A38 F156 V195 L209 D230 S231 L232 A237 F238 | A38-T234 HydrophobicContact CB-CG2 4.47Å; F156-T234 HydrophobicContact CB-CG2 4.19Å; V195-T234 HydrophobicContact CG2-CG2 4.43Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.45Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.16Å; D230-T234 PolarHBondContact O-OG1 2.98Å; S231-T234 WeakPolarHBondContact O-CB 2.84Å; S231-T234 PolarHBondContact O-N 3.5Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 3.02Å; T234-A237 PolarHBondContact O-N 3.08Å; T234-F238 WeakPolarHBondContact O-CB 3.46Å; T234-F238 PolarHBondContact O-N 3.36Å |
| 235 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S231 L232 A237 F238 F239 | S231-G235 PolarHBondContact O-N 3.31Å; L232-G235 PolarHBondContact O-N 2.81Å; G235-A237 VanDerWaalsContact C-N 3.35Å; G235-A237 PolarHBondContact O-N 2.96Å; G235-F238 PolarHBondContact O-N 3.44Å; G235-F239 WeakPolarHBondContact O-CD2 3.22Å; G235-F239 PolarHBondContact O-N 3.37Å; G235-F239 VanDerWaalsContact O-N 3.11Å |
| 236 | M | 98.5 | Very high | 97.6 | Very high | 38 Ų | 38 | 23.4 Ų | 23.4 | 19% | 0.187 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 176 | -65.8 | 173.7 | 75.1 | 0 | 0 | 111.9 | Y88 L218 Q219 L232 L233 F238 R240 | Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.14Å; L218-M236 HydrophobicContact CD1-CB 4.03Å; L218-M236 HydrophobicContact CD2-CB 4.37Å; L218-M236 HydrophobicContact CD2-CE 4.34Å; Q219-M236 WeakPolarHBondContact O-CE 3.37Å; L232-M236 HydrophobicContact CG-SD 4.42Å; L232-M236 WeakPolarHBondContact O-CG 3.47Å; L232-M236 PolarHBondContact O-N 2.79Å; L233-M236 HydrophobicContact CD1-SD 4.33Å; L233-M236 PolarHBondContact O-N 3.12Å; M236-F238 PolarHBondContact O-N 3.2Å; M236-R240 VanDerWaalsContact O-CB 3.28Å; M236-R240 WeakPolarHBondContact O-CB 3.25Å; M236-R240 PolarHBondContact O-N 3.44Å |
| 237 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L209 L216 L218 L233 T234 G235 M241 | L209-A237 HydrophobicContact CD1-CB 4.47Å; L216-A237 HydrophobicContact CD1-CB 4.21Å; L218-A237 HydrophobicContact CD1-CB 4.1Å; L233-A237 VanDerWaalsContact O-CB 3.31Å; L233-A237 WeakPolarHBondContact O-CB 3.42Å; L233-A237 PolarHBondContact O-N 2.8Å; T234-A237 PolarHBondContact O-N 3.08Å; G235-A237 VanDerWaalsContact C-N 3.35Å; G235-A237 PolarHBondContact O-N 2.96Å; A237-M241 WeakPolarHBondContact O-CB 3.45Å; A237-M241 PolarHBondContact O-N 2.8Å |
| 238 | F | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -54.7 | 177.7 | 174.6 | -95.3 | 0 | 0 | 0 | 112.2 | Y36 L154 Y193 V195 L198 T234 G235 M236 R240 M241 K242 I250 | Y36-F238 HydrophobicContact CD1-CE1 4.2Å; Y36-F238 HydrophobicContact CE1-CE1 4.13Å; Y36-F238 HydrophobicContact CE1-CZ 4.43Å; L154-F238 HydrophobicContact CB-CG 4.48Å; L154-F238 HydrophobicContact CD1-CB 4.04Å; L154-F238 HydrophobicContact CD1-CD1 3.47Å; L154-F238 VanDerWaalsContact CD1-CD1 3.47Å; L154-F238 HydrophobicContact CD1-CE1 3.99Å; L154-F238 HydrophobicContact CD1-CG 3.79Å; L154-F238 HydrophobicContact CD2-CD1 3.73Å; L154-F238 HydrophobicContact CD2-CD2 3.74Å; L154-F238 HydrophobicContact CD2-CE1 3.57Å; L154-F238 HydrophobicContact CD2-CE2 3.58Å; L154-F238 HydrophobicContact CD2-CG 3.79Å; L154-F238 HydrophobicContact CD2-CZ 3.47Å; L154-F238 VanDerWaalsContact CD2-CZ 3.47Å; L154-F238 HydrophobicContact CG-CD1 4.19Å; L154-F238 HydrophobicContact CG-CE1 4.43Å; L154-F238 HydrophobicContact CG-CG 4.23Å; Y193-F238 HydrophobicContact CD2-CE2 4.06Å; Y193-F238 HydrophobicContact CD2-CZ 4.08Å; Y193-F238 HydrophobicContact CG-CE2 4.01Å; Y193-F238 HydrophobicContact CG-CZ 4.44Å; V195-F238 HydrophobicContact CG2-CB 3.8Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.47Å; L198-F238 HydrophobicContact CD2-CE2 4.25Å; T234-F238 WeakPolarHBondContact O-CB 3.46Å; T234-F238 PolarHBondContact O-N 3.36Å; G235-F238 PolarHBondContact O-N 3.44Å; M236-F238 PolarHBondContact O-N 3.2Å; F238-R240 PolarHBondContact O-N 2.78Å; F238-M241 PolarHBondContact O-N 2.94Å; F238-K242 HydrophobicContact CE1-CD 4.19Å; F238-K242 VanDerWaalsContact O-CB 3.27Å; F238-K242 WeakPolarHBondContact O-CB 3.47Å; F238-K242 PolarHBondContact O-N 3.15Å; F238-I250 HydrophobicContact CD2-CD1 4.36Å; F238-I250 HydrophobicContact CE1-CD1 4.26Å; F238-I250 HydrophobicContact CE2-CD1 3.27Å; F238-I250 HydrophobicContact CZ-CD1 3.22Å |
| 239 | F | 98.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -176.7 | -78.1 | -74.5 | 0 | 0 | 0 | 112 | Y36 T82 N83 E84 G86 L154 G235 M241 K242 E243 | Y36-F239 HydrophobicContact CD1-CE1 4.44Å; Y36-F239 AromaticContact CD1-CZ 3.76Å; Y36-F239 HydrophobicContact CD1-CZ 3.76Å; Y36-F239 HydrophobicContact CE1-CZ 4.4Å; Y36-F239 HydrophobicContact CG-CZ 4.06Å; T82-F239 HydrophobicContact CG2-CE2 4.23Å; T82-F239 VanDerWaalsContact OG1-CE2 3.29Å; T82-F239 WeakPolarHBondContact OG1-CE2 3.27Å; N83-F239 VanDerWaalsContact O-CZ 3.29Å; N83-F239 WeakPolarHBondContact O-CZ 3.4Å; E84-F239 WeakPolarHBondContact O-CE1 3.45Å; G86-F239 VanDerWaalsContact CA-CZ 3.47Å; G86-F239 VanDerWaalsContact N-CE1 3.25Å; L154-F239 HydrophobicContact CD1-CE2 3.92Å; L154-F239 HydrophobicContact CD1-CZ 4.5Å; G235-F239 WeakPolarHBondContact O-CD2 3.22Å; G235-F239 PolarHBondContact O-N 3.37Å; G235-F239 VanDerWaalsContact O-N 3.11Å; F239-M241 PolarHBondContact O-N 2.92Å; F239-K242 HydrophobicContact CD1-CD 4.49Å; F239-K242 PolarHBondContact O-N 3.03Å; F239-E243 PolarHBondContact O-N 3.33Å |
| 240 | R | 97.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 30% | 0.298 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.2 | -173.4 | 56.7 | 173.6 | 158 | 2.8 | 112.3 | L216 L218 M236 F238 E243 L244 | L216-R240 HydrophobicContact CB-CG 4.05Å; L216-R240 HydrophobicContact CD2-CG 4.25Å; L218-R240 HydrophobicContact CD1-CB 4.25Å; L218-R240 HydrophobicContact CD2-CB 4.1Å; L218-R240 HydrophobicContact CD2-CG 4.11Å; M236-R240 VanDerWaalsContact O-CB 3.28Å; M236-R240 WeakPolarHBondContact O-CB 3.25Å; M236-R240 PolarHBondContact O-N 3.44Å; F238-R240 PolarHBondContact O-N 2.78Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 2.89Å; R240-E243 PolarHBondContact NH1-OE1 3.39Å; R240-E243 IonicContact NH1-OE2 3.2Å; R240-E243 PolarHBondContact NH1-OE2 2.94Å; R240-L244 HydrophobicContact CG-CD1 4.16Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 3.2Å; R240-L244 VanDerWaalsContact O-N 3.15Å |
| 241 | M | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 175.9 | -179.7 | -176.1 | 60.7 | 0 | 0 | 111.5 | V195 L198 M199 L205 L216 A237 F238 F239 E243 L244 F245 F246 | V195-M241 HydrophobicContact CB-CE 4.34Å; V195-M241 HydrophobicContact CG1-CE 3.88Å; V195-M241 HydrophobicContact CG1-SD 4.23Å; V195-M241 HydrophobicContact CG2-CE 4.31Å; L198-M241 HydrophobicContact CB-CE 3.49Å; L198-M241 VanDerWaalsContact CB-CE 3.49Å; L198-M241 HydrophobicContact CB-SD 4.04Å; L198-M241 HydrophobicContact CD2-CE 3.61Å; L198-M241 HydrophobicContact CG-CE 4.17Å; M199-M241 HydrophobicContact CG-SD 4Å; L205-M241 HydrophobicContact CD1-CG 4.18Å; L205-M241 HydrophobicContact CD1-SD 4.34Å; L216-M241 HydrophobicContact CD1-CB 4.46Å; A237-M241 WeakPolarHBondContact O-CB 3.45Å; A237-M241 PolarHBondContact O-N 2.8Å; F238-M241 PolarHBondContact O-N 2.94Å; F239-M241 PolarHBondContact O-N 2.92Å; M241-E243 VanDerWaalsContact C-N 3.34Å; M241-E243 PolarHBondContact O-N 3.25Å; M241-L244 PolarHBondContact O-N 3.3Å; M241-F245 HydrophobicContact CG-CD2 3.97Å; M241-F245 PolarHBondContact O-N 3.37Å; M241-F246 HydrophobicContact CE-CE2 4.34Å; M241-F246 HydrophobicContact CG-CD2 4.28Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.18Å |
| 242 | K | 96.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 176.3 | 178.9 | -175.3 | 167.3 | -168.7 | 0 | 111.3 | F238 F239 F246 E247 D248 I250 | F238-K242 HydrophobicContact CE1-CD 4.19Å; F238-K242 VanDerWaalsContact O-CB 3.27Å; F238-K242 WeakPolarHBondContact O-CB 3.47Å; F238-K242 PolarHBondContact O-N 3.15Å; F239-K242 HydrophobicContact CD1-CD 4.49Å; F239-K242 PolarHBondContact O-N 3.03Å; K242-F246 CarbonylContact O-C 3.4Å; K242-F246 WeakPolarHBondContact O-CA 3.43Å; K242-F246 WeakPolarHBondContact O-CB 3.3Å; K242-F246 PolarHBondContact O-N 3.09Å; K242-F246 VanDerWaalsContact O-N 3.16Å; K242-E247 PolarHBondContact O-N 3.36Å; K242-D248 WeakPolarHBondContact CE-O 3.45Å; K242-D248 PolarHBondContact NZ-O 2.89Å; K242-D248 PolarHBondContact O-N 2.89Å; K242-I250 HydrophobicContact CB-CD1 4.39Å; K242-I250 HydrophobicContact CD-CD1 4.25Å; K242-I250 HydrophobicContact CG-CD1 4.16Å; K242-I250 HydrophobicContact CG-CG1 4.19Å |
| 243 | E | 95.5 | Very high | 96 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 175.7 | -175.5 | -165.9 | 169.5 | 0 | 0 | 111.7 | F239 R240 M241 D248 | F239-E243 PolarHBondContact O-N 3.33Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 2.89Å; R240-E243 PolarHBondContact NH1-OE1 3.39Å; R240-E243 IonicContact NH1-OE2 3.2Å; R240-E243 PolarHBondContact NH1-OE2 2.94Å; M241-E243 VanDerWaalsContact C-N 3.34Å; M241-E243 PolarHBondContact O-N 3.25Å; E243-D248 WeakPolarHBondContact CA-OD1 3.33Å |
| 244 | L | 94.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.7 | -33.2 | -170.1 | -69.5 | 177.5 | 0 | 0 | 0 | 114.9 | L216 R240 M241 | L216-L244 HydrophobicContact CD2-CD1 3.97Å; R240-L244 HydrophobicContact CG-CD1 4.16Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 3.2Å; R240-L244 VanDerWaalsContact O-N 3.15Å; M241-L244 PolarHBondContact O-N 3.3Å |
| 245 | F | 95.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -118.9 | -12.8 | -168.9 | -62.6 | -85.2 | 0 | 0 | 0 | 114.1 | C202 L205 L216 M241 | C202-F245 HydrophobicContact CB-CD1 3.84Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.1Å; C202-F245 HydrophobicContact CB-CG 3.99Å; C202-F245 HydrophobicContact CB-CZ 4.49Å; L205-F245 HydrophobicContact CD1-CD2 4.09Å; L205-F245 HydrophobicContact CD1-CE2 3.56Å; L205-F245 HydrophobicContact CD1-CZ 3.95Å; L205-F245 HydrophobicContact CG-CE2 4.12Å; L205-F245 HydrophobicContact CG-CZ 4.01Å; L216-F245 HydrophobicContact CD2-CE2 4.14Å; M241-F245 HydrophobicContact CG-CD2 3.97Å; M241-F245 PolarHBondContact O-N 3.37Å |
| 246 | F | 94.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -128.3 | 11.8 | -171.9 | -63.2 | -85.8 | 0 | 0 | 0 | 113.7 | L198 C202 M241 K242 D248 S249 I250 Y255 | L198-F246 HydrophobicContact CB-CE2 4.4Å; L198-F246 HydrophobicContact CB-CZ 4.14Å; L198-F246 HydrophobicContact CD2-CE2 4.31Å; L198-F246 HydrophobicContact CD2-CZ 4.3Å; L198-F246 HydrophobicContact CG-CZ 4.38Å; C202-F246 VanDerWaalsContact SG-CE2 3.52Å; M241-F246 HydrophobicContact CE-CE2 4.34Å; M241-F246 HydrophobicContact CG-CD2 4.28Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.18Å; K242-F246 CarbonylContact O-C 3.4Å; K242-F246 WeakPolarHBondContact O-CA 3.43Å; K242-F246 WeakPolarHBondContact O-CB 3.3Å; K242-F246 PolarHBondContact O-N 3.09Å; K242-F246 VanDerWaalsContact O-N 3.16Å; F246-D248 PolarHBondContact O-N 3.21Å; F246-D248 VanDerWaalsContact O-N 3.14Å; F246-S249 CarbonylContact O-C 3.54Å; F246-S249 PolarHBondContact O-N 3.41Å; F246-I250 HydrophobicContact CB-CG1 4.4Å; F246-I250 HydrophobicContact CG-CG1 4.45Å; F246-Y255 HydrophobicContact CD1-CE2 4.34Å; F246-Y255 HydrophobicContact CE1-CD2 4.49Å; F246-Y255 HydrophobicContact CE1-CE1 4.39Å; F246-Y255 AromaticContact CE1-CE2 3.73Å; F246-Y255 HydrophobicContact CE1-CE2 3.73Å; F246-Y255 AromaticContact CE1-CZ 3.67Å |
| 247 | E | 93.3 | Very high | 95.4 | Very high | 181 Ų | 181 | 58 Ų | 58 | 85% | 0.846 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.4 | 176.6 | -57.9 | 177.4 | -165.9 | 0 | 0 | 112.4 | K242 S249 | K242-E247 PolarHBondContact O-N 3.36Å; E247-S249 PolarHBondContact O-N 3.35Å; E247-S249 VanDerWaalsContact O-N 3.15Å |
| 248 | D | 91.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 15.9 | -176.7 | -66.3 | -50.8 | 0 | 0 | 0 | 115.9 | K242 E243 F246 | K242-D248 WeakPolarHBondContact CE-O 3.45Å; K242-D248 PolarHBondContact NZ-O 2.89Å; K242-D248 PolarHBondContact O-N 2.89Å; E243-D248 WeakPolarHBondContact CA-OD1 3.33Å; F246-D248 PolarHBondContact O-N 3.21Å; F246-D248 VanDerWaalsContact O-N 3.14Å |
| 249 | S | 92.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | trans | -140.7 | 124.4 | -178.8 | -177.6 | 0 | 0 | 0 | 0 | 113 | F246 E247 | F246-S249 CarbonylContact O-C 3.54Å; F246-S249 PolarHBondContact O-N 3.41Å; E247-S249 PolarHBondContact O-N 3.35Å; E247-S249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | I | 95.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | trans | -103.5 | 132.4 | 178.2 | -62.7 | 169.9 | 0 | 0 | 0 | 109.2 | Y193 L198 F238 K242 F246 D252 Y255 | Y193-I250 HydrophobicContact CD1-CG2 3.88Å; Y193-I250 HydrophobicContact CE1-CB 4.43Å; Y193-I250 HydrophobicContact CE1-CG2 3.65Å; L198-I250 HydrophobicContact CD2-CD1 3.83Å; L198-I250 HydrophobicContact CD2-CG1 4.41Å; L198-I250 HydrophobicContact CD2-CG2 4.36Å; F238-I250 HydrophobicContact CD2-CD1 4.36Å; F238-I250 HydrophobicContact CE1-CD1 4.26Å; F238-I250 HydrophobicContact CE2-CD1 3.27Å; F238-I250 HydrophobicContact CZ-CD1 3.22Å; K242-I250 HydrophobicContact CB-CD1 4.39Å; K242-I250 HydrophobicContact CD-CD1 4.25Å; K242-I250 HydrophobicContact CG-CD1 4.16Å; K242-I250 HydrophobicContact CG-CG1 4.19Å; F246-I250 HydrophobicContact CB-CG1 4.4Å; F246-I250 HydrophobicContact CG-CG1 4.45Å; I250-D252 PolarHBondContact O-N 3.35Å; I250-Y255 HydrophobicContact CG2-CD2 3.74Å; I250-Y255 HydrophobicContact CG2-CG 4.14Å | ||
| 251 | D | 95 | Very high | 94.6 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -77 | 105.6 | 175.3 | 177.1 | 6.6 | 0 | 0 | 0 | 111.2 | A253 K254 Y255 | D251-A253 VanDerWaalsContact C-N 3.3Å; D251-A253 PolarHBondContact O-N 2.82Å; D251-A253 WeakPolarHBondContact OD1-CB 3.35Å; D251-A253 PolarHBondContact OD1-N 2.94Å; D251-A253 VanDerWaalsContact OD1-N 3.08Å; D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.3Å; D251-K254 VanDerWaalsContact O-N 3.15Å; D251-K254 WeakPolarHBondContact OD2-CB 3.28Å; D251-Y255 HydrophobicContact CB-CD2 4.2Å; D251-Y255 HydrophobicContact CB-CE2 4.29Å; D251-Y255 VanDerWaalsContact O-CD2 3.25Å; D251-Y255 WeakPolarHBondContact O-CD2 3.37Å; D251-Y255 PolarHBondContact O-N 3.41Å | ||
| 252 | D | 94.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | -178.9 | -73.1 | -4.5 | 0 | 0 | 0 | 112.5 | K152 Y193 I250 K254 Y255 C256 | K152-D252 IonicContact NZ-OD2 3.16Å; Y193-D252 PolarHBondContact OH-OD1 3.37Å; I250-D252 PolarHBondContact O-N 3.35Å; D252-K254 PolarHBondContact O-N 3.19Å; D252-K254 VanDerWaalsContact O-N 3.16Å; D252-Y255 PolarHBondContact O-N 3.05Å; D252-C256 HydrophobicContact CB-CB 4.08Å; D252-C256 WeakPolarHBondContact O-CB 3.47Å; D252-C256 PolarHBondContact O-N 3.38Å |
| 253 | A | 93.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 60.1 Ų | 60.1 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.6 | -28.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | D251 | D251-A253 VanDerWaalsContact C-N 3.3Å; D251-A253 PolarHBondContact O-N 2.82Å; D251-A253 WeakPolarHBondContact OD1-CB 3.35Å; D251-A253 PolarHBondContact OD1-N 2.94Å; D251-A253 VanDerWaalsContact OD1-N 3.08Å |
| 254 | K | 94.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -92.1 | -39.4 | -178.4 | -172.4 | 172.3 | 176.7 | -166.6 | 0 | 113.2 | D251 D252 | D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.3Å; D251-K254 VanDerWaalsContact O-N 3.15Å; D251-K254 WeakPolarHBondContact OD2-CB 3.28Å; D252-K254 PolarHBondContact O-N 3.19Å; D252-K254 VanDerWaalsContact O-N 3.16Å |
| 255 | Y | 96.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -114 | -26.3 | -166.2 | -60 | -68.4 | 0 | 0 | 0 | 114.8 | Y197 L198 S201 F246 I250 D251 D252 R258 | Y197-Y255 HydrophobicContact CD1-CD1 4.09Å; Y197-Y255 HydrophobicContact CE1-CD1 4.02Å; L198-Y255 HydrophobicContact CD1-CD1 4.39Å; L198-Y255 HydrophobicContact CG-CD1 4.01Å; L198-Y255 HydrophobicContact CG-CG 4.24Å; S201-Y255 WeakPolarHBondContact CB-OH 2.96Å; S201-Y255 PolarHBondContact OG-OH 3.44Å; F246-Y255 HydrophobicContact CD1-CE2 4.34Å; F246-Y255 HydrophobicContact CE1-CD2 4.49Å; F246-Y255 HydrophobicContact CE1-CE1 4.39Å; F246-Y255 AromaticContact CE1-CE2 3.73Å; F246-Y255 HydrophobicContact CE1-CE2 3.73Å; F246-Y255 AromaticContact CE1-CZ 3.67Å; I250-Y255 HydrophobicContact CG2-CD2 3.74Å; I250-Y255 HydrophobicContact CG2-CG 4.14Å; D251-Y255 HydrophobicContact CB-CD2 4.2Å; D251-Y255 HydrophobicContact CB-CE2 4.29Å; D251-Y255 VanDerWaalsContact O-CD2 3.25Å; D251-Y255 WeakPolarHBondContact O-CD2 3.37Å; D251-Y255 PolarHBondContact O-N 3.41Å; D252-Y255 PolarHBondContact O-N 3.05Å; Y255-R258 PolarHBondContact O-N 2.96Å |
| 256 | C | 96.8 | Very high | 87.4 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 135.1 | -175.7 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | I192 Y193 D252 R258 | I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.5Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å; D252-C256 HydrophobicContact CB-CB 4.08Å; D252-C256 WeakPolarHBondContact O-CB 3.47Å; D252-C256 PolarHBondContact O-N 3.38Å; C256-R258 PolarHBondContact O-N 3.04Å |
| 257 | G | 95.6 | Very high | 84.9 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 9.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I192 | I192-G257 PolarHBondContact O-N 3.13Š|
| 258 | R | 94.9 | Very high | 82.3 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 108.3 | -179.6 | -57.1 | -59.2 | -175.5 | -167.3 | -7.3 | 110.8 | D194 Y197 Y255 C256 | D194-R258 VanDerWaalsContact CB-O 3.28Å; D194-R258 WeakPolarHBondContact CB-O 3.45Å; Y197-R258 HydrophobicContact CD1-CB 3.65Å; Y197-R258 HydrophobicContact CD1-CG 4.33Å; Y197-R258 HydrophobicContact CD2-CB 3.96Å; Y197-R258 HydrophobicContact CE1-CB 3.57Å; Y197-R258 HydrophobicContact CE1-CG 3.79Å; Y197-R258 HydrophobicContact CE2-CB 3.88Å; Y197-R258 HydrophobicContact CE2-CG 4.46Å; Y197-R258 HydrophobicContact CG-CB 3.85Å; Y255-R258 PolarHBondContact O-N 2.96Å; C256-R258 PolarHBondContact O-N 3.04Å |
| 259 | L | 96.3 | Very high | 79.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -87.3 | 138.8 | 172.9 | -55.3 | -173 | 0 | 0 | 0 | 110.9 | F162 F181 F182 L185 I192 G261 L262 | F162-L259 HydrophobicContact CB-CD1 4.4Å; F162-L259 HydrophobicContact CD2-CD1 4.31Å; F162-L259 HydrophobicContact CD2-CD2 3.7Å; F162-L259 HydrophobicContact CE2-CD2 3.96Å; F181-L259 HydrophobicContact CE1-CD1 4.27Å; F182-L259 HydrophobicContact CE1-CD1 4.12Å; F182-L259 HydrophobicContact CE1-CG 4.03Å; F182-L259 HydrophobicContact CZ-CB 4.4Å; F182-L259 HydrophobicContact CZ-CD1 4.17Å; F182-L259 HydrophobicContact CZ-CG 4.26Å; L185-L259 HydrophobicContact CD2-CD1 3.8Å; L185-L259 HydrophobicContact CD2-CG 4.37Å; I192-L259 HydrophobicContact CD1-CD2 4.48Å; I192-L259 HydrophobicContact CG2-CD2 3.85Å; L259-G261 PolarHBondContact O-N 3.1Å; L259-L262 HydrophobicContact CB-CB 4.31Å; L259-L262 HydrophobicContact CD1-CD1 4.35Å; L259-L262 PolarHBondContact O-N 3.38Å; L259-L262 VanDerWaalsContact O-O 3.11Å | ||
| 260 | Y | 94.5 | Very high | 77.2 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 124.6 | 177 | -177.1 | -84.2 | 0 | 0 | 0 | 110.9 | H157 D194 K196 | H157-Y260 AromaticContact CD2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.12Å; H157-Y260 AromaticContact NE2-CD1 3.47Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.36Å; H157-Y260 AromaticContact NE2-CE1 3.79Å; D194-Y260 PolarHBondContact OD2-N 3.19Å; K196-Y260 HydrophobicContact CB-CD2 4.16Å; K196-Y260 HydrophobicContact CB-CG 4.16Å; K196-Y260 HydrophobicContact CG-CD1 4.1Å; K196-Y260 HydrophobicContact CG-CD2 3.47Å; K196-Y260 VanDerWaalsContact CG-CD2 3.47Å; K196-Y260 HydrophobicContact CG-CE1 4.42Å; K196-Y260 HydrophobicContact CG-CE2 3.85Å; K196-Y260 HydrophobicContact CG-CG 3.6Å |
| 261 | G | 90.9 | Very high | 74.5 | Confident | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -4.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L259 | L259-G261 PolarHBondContact O-N 3.1Š|
| 262 | L | 89.3 | Confident | 71.9 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -131.5 | 164.8 | -179.1 | -59.6 | 174.4 | 0 | 0 | 0 | 111.4 | Q61 L65 E178 F182 L259 T264 | Q61-L262 HydrophobicContact CB-CD2 4.13Å; L65-L262 HydrophobicContact CD1-CD1 3.7Å; E178-L262 WeakPolarHBondContact OE1-CA 3.35Å; E178-L262 WeakPolarHBondContact OE1-CB 3.34Å; F182-L262 HydrophobicContact CE2-CB 4.02Å; F182-L262 HydrophobicContact CZ-CB 3.8Å; L259-L262 HydrophobicContact CB-CB 4.31Å; L259-L262 HydrophobicContact CD1-CD1 4.35Å; L259-L262 PolarHBondContact O-N 3.38Å; L259-L262 VanDerWaalsContact O-O 3.11Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.43Å |
| 263 | G | 74.4 | Confident | 69.6 | Low | 5 Ų | 5 | 64.8 Ų | 64.8 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | trans | 73.5 | 9.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | E178 F182 G265 V266 | E178-G263 PolarHBondContact OE1-N 3.31Å; F182-G263 VanDerWaalsContact CE2-CA 3.49Å; G263-G265 PolarHBondContact O-N 3.41Å; G263-V266 PolarHBondContact O-N 2.9Å | ||
| 264 | T | 65.4 | Low | 67.5 | Low | 65 Ų | 65 | 64.7 Ų | 64.7 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.9 | 179.7 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | I58 L262 | I58-T264 WeakPolarHBondContact CD1-OG1 3.13Å; I58-T264 WeakPolarHBondContact CG1-OG1 3.41Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.43Å |
| 265 | G | 50.1 | Low | 65.3 | Low | 40 Ų | 40 | 64.8 Ų | 64.8 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G263 | G263-G265 PolarHBondContact O-N 3.41Š|
| 266 | V | 46.8 | Very low | 63.1 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -83.2 | -30.9 | -175.3 | -173 | 0 | 0 | 0 | 0 | 111.9 | G263 Q268 Q270 | G263-V266 PolarHBondContact O-N 2.9Å; V266-Q268 VanDerWaalsContact C-N 3.31Å; V266-Q268 PolarHBondContact O-N 3.46Å; V266-Q270 PolarHBondContact O-N 3.14Å |
| 267 | A | 42.9 | Very low | 61.1 | Low | 30 Ų | 30 | 67.2 Ų | 67.2 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 268 | Q | 37.1 | Very low | 59.2 | Low | 134 Ų | 134 | 72.4 Ų | 72.4 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.3 | -40.5 | -178.5 | -76.7 | -178.3 | -48.2 | 0 | 0 | 111.8 | V266 N271 E272 | V266-Q268 VanDerWaalsContact C-N 3.31Å; V266-Q268 PolarHBondContact O-N 3.46Å; Q268-N271 PolarHBondContact O-N 3.32Å; Q268-E272 WeakPolarHBondContact O-CB 3.17Å; Q268-E272 WeakPolarHBondContact O-CG 3.46Å; Q268-E272 PolarHBondContact O-N 2.96Å |
| 269 | K | 38.3 | Very low | 57.4 | Low | 147 Ų | 147 | 76.3 Ų | 76.3 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 179.8 | -83.5 | -174.7 | 174 | -178.3 | 0 | 114 | N271 E272 D273 | K269-N271 VanDerWaalsContact C-N 3.35Å; K269-N271 PolarHBondContact O-N 2.88Å; K269-E272 PolarHBondContact O-N 3.35Å; K269-D273 WeakPolarHBondContact O-CB 3.4Å; K269-D273 PolarHBondContact O-N 3.45Å |
| 270 | Q | 40.6 | Very low | 55.8 | Low | 127 Ų | 127 | 82.9 Ų | 82.9 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67 | -36 | 177.9 | -77.9 | -177.3 | -15.8 | 0 | 0 | 112.5 | V266 V274 | V266-Q270 PolarHBondContact O-N 3.14Å; Q270-V274 WeakPolarHBondContact O-CB 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.44Å; Q270-V274 PolarHBondContact O-N 3.39Å; Q270-V274 VanDerWaalsContact O-N 3.14Å |
| 271 | N | 37.7 | Very low | 54.3 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 58% | 0.583 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.2 | -38 | 173.9 | -77.3 | -8 | 0 | 0 | 0 | 112.1 | Q268 K269 V274 D275 | Q268-N271 PolarHBondContact O-N 3.32Å; K269-N271 VanDerWaalsContact C-N 3.35Å; K269-N271 PolarHBondContact O-N 2.88Å; N271-V274 PolarHBondContact O-N 3.31Å; N271-D275 VanDerWaalsContact O-CB 3.3Å; N271-D275 WeakPolarHBondContact O-CB 3.47Å; N271-D275 PolarHBondContact O-N 3.31Å |
| 272 | E | 41.1 | Very low | 53 | Low | 124 Ų | 124 | 87.3 Ų | 87.3 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 174.7 | -76 | 175.8 | 179.8 | 0 | 0 | 112.7 | Q268 K269 S276 | Q268-E272 WeakPolarHBondContact O-CB 3.17Å; Q268-E272 WeakPolarHBondContact O-CG 3.46Å; Q268-E272 PolarHBondContact O-N 2.96Å; K269-E272 PolarHBondContact O-N 3.35Å; E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.34Å; E272-S276 PolarHBondContact O-N 2.97Å |
| 273 | D | 44.9 | Very low | 52 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.8 | -38 | 177.6 | -79.4 | -30.5 | 0 | 0 | 0 | 111.9 | K269 S276 A277 | K269-D273 WeakPolarHBondContact O-CB 3.4Å; K269-D273 PolarHBondContact O-N 3.45Å; D273-S276 PolarHBondContact O-OG 3.49Å; D273-A277 WeakPolarHBondContact O-CB 3.26Å; D273-A277 PolarHBondContact O-N 3.23Å |
| 274 | V | 49.8 | Very low | 51.5 | Low | 85 Ų | 85 | 95.9 Ų | 95.9 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -45.6 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | Q270 N271 S276 A277 Q278 | Q270-V274 WeakPolarHBondContact O-CB 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.44Å; Q270-V274 PolarHBondContact O-N 3.39Å; Q270-V274 VanDerWaalsContact O-N 3.14Å; N271-V274 PolarHBondContact O-N 3.31Å; V274-S276 PolarHBondContact O-N 3.05Å; V274-A277 PolarHBondContact O-N 3.07Å; V274-Q278 PolarHBondContact O-N 2.89Å |
| 275 | D | 48.1 | Very low | 51.5 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 176.4 | -81.7 | -25.2 | 0 | 0 | 0 | 111.1 | N271 A277 Q278 E279 | N271-D275 VanDerWaalsContact O-CB 3.3Å; N271-D275 WeakPolarHBondContact O-CB 3.47Å; N271-D275 PolarHBondContact O-N 3.31Å; D275-A277 VanDerWaalsContact C-N 3.32Å; D275-A277 PolarHBondContact O-N 3.06Å; D275-Q278 PolarHBondContact O-N 2.88Å; D275-E279 WeakPolarHBondContact O-CB 3.34Å; D275-E279 PolarHBondContact O-N 3.07Å |
| 276 | S | 50.4 | Low | 52.3 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 29% | 0.287 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -32.1 | 177 | 93.8 | 0 | 0 | 0 | 0 | 112.8 | E272 D273 V274 K280 | E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.34Å; E272-S276 PolarHBondContact O-N 2.97Å; D273-S276 PolarHBondContact O-OG 3.49Å; V274-S276 PolarHBondContact O-N 3.05Å; S276-K280 WeakPolarHBondContact O-CB 3.39Å; S276-K280 VanDerWaalsContact O-CG 3.25Å; S276-K280 WeakPolarHBondContact O-CG 3.25Å; S276-K280 PolarHBondContact O-N 3.41Å |
| 277 | A | 54.5 | Low | 53.4 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D273 V274 D275 M281 | D273-A277 WeakPolarHBondContact O-CB 3.26Å; D273-A277 PolarHBondContact O-N 3.23Å; V274-A277 PolarHBondContact O-N 3.07Å; D275-A277 VanDerWaalsContact C-N 3.32Å; D275-A277 PolarHBondContact O-N 3.06Å; A277-M281 WeakPolarHBondContact O-CB 3.3Å; A277-M281 WeakPolarHBondContact O-CG 3.5Å; A277-M281 PolarHBondContact O-N 3.47Å |
| 278 | Q | 56.1 | Low | 54.5 | Low | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -36.7 | 176.9 | -120.2 | 160.6 | -11.9 | 0 | 0 | 112.4 | V274 D275 M281 S282 | V274-Q278 PolarHBondContact O-N 2.89Å; D275-Q278 PolarHBondContact O-N 2.88Å; Q278-M281 PolarHBondContact O-N 3.39Å; Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.45Å; Q278-S282 PolarHBondContact O-OG 3.47Å |
| 279 | E | 57.3 | Low | 55.7 | Low | 134 Ų | 134 | 102 Ų | 102 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.8 | -42.2 | 176.6 | -159.6 | 172.1 | -155.1 | 0 | 0 | 111.4 | D275 M281 S282 I283 | D275-E279 WeakPolarHBondContact O-CB 3.34Å; D275-E279 PolarHBondContact O-N 3.07Å; E279-M281 PolarHBondContact O-N 3.36Å; E279-S282 PolarHBondContact O-N 2.96Å; E279-I283 HydrophobicContact CG-CD1 4.33Å; E279-I283 WeakPolarHBondContact O-CG1 3.32Å; E279-I283 PolarHBondContact O-N 3.03Å |
| 280 | K | 61.5 | Low | 56.7 | Low | 138 Ų | 138 | 101.9 Ų | 101.9 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 173.1 | -76.5 | 173.5 | -175.7 | 168.2 | 0 | 112.7 | S276 I283 L284 | S276-K280 WeakPolarHBondContact O-CB 3.39Å; S276-K280 VanDerWaalsContact O-CG 3.25Å; S276-K280 WeakPolarHBondContact O-CG 3.25Å; S276-K280 PolarHBondContact O-N 3.41Å; K280-I283 PolarHBondContact O-N 2.86Å; K280-L284 WeakPolarHBondContact O-CD1 3.42Å; K280-L284 PolarHBondContact O-N 2.99Å |
| 281 | M | 62.5 | Low | 57.6 | Low | 138 Ų | 138 | 103.3 Ų | 103.3 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -37.7 | 176.4 | -77.2 | -68.5 | -76 | 0 | 0 | 112.3 | A277 Q278 E279 A285 | A277-M281 WeakPolarHBondContact O-CB 3.3Å; A277-M281 WeakPolarHBondContact O-CG 3.5Å; A277-M281 PolarHBondContact O-N 3.47Å; Q278-M281 PolarHBondContact O-N 3.39Å; E279-M281 PolarHBondContact O-N 3.36Å; M281-A285 WeakPolarHBondContact O-CB 3.32Å; M281-A285 PolarHBondContact O-N 2.91Å |
| 282 | S | 65.1 | Low | 58 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -41.2 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 112 | Q278 E279 A285 I286 | Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.45Å; Q278-S282 PolarHBondContact O-OG 3.47Å; E279-S282 PolarHBondContact O-N 2.96Å; S282-A285 PolarHBondContact O-N 3.5Å; S282-I286 VanDerWaalsContact O-CG1 3.3Å; S282-I286 WeakPolarHBondContact O-CG1 3.3Å; S282-I286 PolarHBondContact O-N 3.34Å; S282-I286 VanDerWaalsContact O-N 3.09Å |
| 283 | I | 67.6 | Low | 58.9 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66 | -42.2 | 176.6 | -68.4 | 164.7 | 0 | 0 | 0 | 111.1 | E279 K280 A285 I286 I287 | E279-I283 HydrophobicContact CG-CD1 4.33Å; E279-I283 WeakPolarHBondContact O-CG1 3.32Å; E279-I283 PolarHBondContact O-N 3.03Å; K280-I283 PolarHBondContact O-N 2.86Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.48Å; I283-I286 PolarHBondContact O-N 3.23Å; I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.43Å; I283-I287 VanDerWaalsContact O-CG1 3.32Å; I283-I287 WeakPolarHBondContact O-CG1 3.32Å; I283-I287 PolarHBondContact O-N 3.48Å |
| 284 | L | 64.2 | Low | 59.6 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -39 | 175.3 | -103.5 | 117.7 | 0 | 0 | 0 | 112.6 | K280 I287 N288 | K280-L284 WeakPolarHBondContact O-CD1 3.42Å; K280-L284 PolarHBondContact O-N 2.99Å; L284-I287 PolarHBondContact O-N 3.29Å; L284-N288 PolarHBondContact O-N 3.33Å; L284-N288 VanDerWaalsContact O-N 3.08Å; L284-N288 PolarHBondContact O-ND2 3.44Å |
| 285 | A | 64.1 | Low | 60.2 | Low | 51 Ų | 51 | 109.7 Ų | 109.7 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M281 S282 I283 N289 | M281-A285 WeakPolarHBondContact O-CB 3.32Å; M281-A285 PolarHBondContact O-N 2.91Å; S282-A285 PolarHBondContact O-N 3.5Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.48Å; A285-N289 PolarHBondContact O-N 2.99Å |
| 286 | I | 68.4 | Low | 60.9 | Low | 104 Ų | 104 | 110.1 Ų | 110.1 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.8 | -42.6 | 176.4 | -67.6 | 165.7 | 0 | 0 | 0 | 111 | S282 I283 N288 N289 M290 | S282-I286 VanDerWaalsContact O-CG1 3.3Å; S282-I286 WeakPolarHBondContact O-CG1 3.3Å; S282-I286 PolarHBondContact O-N 3.34Å; S282-I286 VanDerWaalsContact O-N 3.09Å; I283-I286 PolarHBondContact O-N 3.23Å; I286-N288 PolarHBondContact O-N 3.27Å; I286-N289 PolarHBondContact O-N 3.09Å; I286-M290 HydrophobicContact CG2-CE 4.35Å; I286-M290 PolarHBondContact O-N 3.44Å |
| 287 | I | 69.8 | Low | 61.5 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 41% | 0.41 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -42 | 178.6 | -69.1 | 167.5 | 0 | 0 | 0 | 111.1 | I283 L284 N289 M290 | I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.43Å; I283-I287 VanDerWaalsContact O-CG1 3.32Å; I283-I287 WeakPolarHBondContact O-CG1 3.32Å; I283-I287 PolarHBondContact O-N 3.48Å; L284-I287 PolarHBondContact O-N 3.29Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.28Å; I287-M290 PolarHBondContact O-N 3.08Å |
| 288 | N | 64.4 | Low | 62 | Low | 91 Ų | 91 | 118.6 Ų | 118.6 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.8 | -31.2 | 179.7 | -74.1 | -20.2 | 0 | 0 | 0 | 113.2 | L284 I286 M290 | L284-N288 PolarHBondContact O-N 3.33Å; L284-N288 VanDerWaalsContact O-N 3.08Å; L284-N288 PolarHBondContact O-ND2 3.44Å; I286-N288 PolarHBondContact O-N 3.27Å; N288-M290 VanDerWaalsContact C-N 3.33Å |
| 289 | N | 63.3 | Low | 62.4 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -15.6 | 176.5 | -79.6 | -18.9 | 0 | 0 | 0 | 113.9 | A285 I286 I287 | A285-N289 PolarHBondContact O-N 2.99Å; I286-N289 PolarHBondContact O-N 3.09Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 3.28Å |
| 290 | M | 59.2 | Low | 62.8 | Low | 144 Ų | 144 | 117.1 Ų | 117.1 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -2.8 | 175.1 | -68.7 | -165.6 | -61.6 | 0 | 0 | 113.4 | I286 I287 N288 | I286-M290 HydrophobicContact CG2-CE 4.35Å; I286-M290 PolarHBondContact O-N 3.44Å; I287-M290 PolarHBondContact O-N 3.08Å; N288-M290 VanDerWaalsContact C-N 3.33Å |
| 291 | Q | 59.6 | Low | 62.9 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | trans | -107.9 | 8.5 | -180 | -68.9 | -170.9 | -18.8 | 0 | 0 | 114 | ||||
| 292 | Q | 46.8 | Very low | 62.9 | Low | 233 Ų | 233 | 113.3 Ų | 113.3 | 100% | 1.089 | 59% | 0.593 | S | S | * | * | trans | -111.5 | 0 | 166.9 | -68.3 | -167.7 | 7.3 | 0 | 0 | 110.3 |
Retrieved 292 of 292 residues in 59.5 ms
(Link to these results)