| 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 | 37.7 | Very low | 63 | Low | 244 Ų | 244 | 105.6 Ų | 105.6 | 100% | 1.202 | 57% | 0.569 | S | S | * | * | 0 | 138.2 | 0 | -64.1 | 164.4 | 101.4 | 0 | 0 | 107.9 | |||||
| 2 | V | 45.3 | Very low | 65 | Low | 134 Ų | 134 | 103.9 Ų | 103.9 | 81% | 0.812 | 56% | 0.559 | S | S | * | * | trans | -70.4 | 129.3 | 166.2 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | L4 | V2-L4 PolarHBondContact O-N 3.43Å; V2-L4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | Q | 50.4 | Low | 67.1 | Low | 186 Ų | 186 | 102 Ų | 102 | 87% | 0.869 | 55% | 0.545 | S | S | * | . | trans | -65.1 | 112.7 | 170 | -88.1 | -172.1 | -25.7 | 0 | 0 | 108.5 | S5 | Q3-S5 PolarHBondContact O-N 2.83Å; Q3-S5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | L | 57.3 | Low | 68.8 | Low | 101 Ų | 101 | 95.1 Ų | 95.1 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | trans | -61 | 117.9 | 168.2 | -67.4 | 172.2 | 0 | 0 | 0 | 107.5 | V2 V8 F207 | V2-L4 PolarHBondContact O-N 3.43Å; V2-L4 VanDerWaalsContact O-N 3.1Å; L4-V8 HydrophobicContact CB-CB 4.22Å; L4-V8 HydrophobicContact CB-CG1 4.43Å; L4-V8 HydrophobicContact CB-CG2 4.07Å; L4-V8 HydrophobicContact CD1-CG1 4.45Å; L4-V8 HydrophobicContact CD2-CG1 4.44Å; L4-V8 HydrophobicContact CD2-CG2 4.27Å; L4-F207 HydrophobicContact CD1-CE1 4.49Å; L4-F207 HydrophobicContact CD2-CD1 4.22Å | ||
| 5 | S | 63.9 | Low | 70.5 | Confident | 46 Ų | 46 | 95 Ų | 95 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | trans | -49.7 | 142.8 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | Q3 W7 V8 | Q3-S5 PolarHBondContact O-N 2.83Å; Q3-S5 VanDerWaalsContact O-N 3.14Å; S5-W7 PolarHBondContact O-N 2.61Å; S5-V8 VanDerWaalsContact O-CB 3.31Å; S5-V8 WeakPolarHBondContact O-CB 3.43Å; S5-V8 VanDerWaalsContact O-CG2 3.29Å; S5-V8 WeakPolarHBondContact O-CG2 3.44Å; S5-V8 PolarHBondContact O-N 3.39Å | ||
| 6 | P | 66.8 | Low | 72 | Confident | 113 Ų | 113 | 94.1 Ų | 94.1 | 73% | 0.734 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -53.2 | -24.6 | 178.7 | -29.4 | 36.3 | 0 | 0 | 0 | 113.9 | V8 G9 | P6-V8 PolarHBondContact O-N 3.14Å; P6-G9 WeakPolarHBondContact O-CA 3.43Å; P6-G9 PolarHBondContact O-N 3.47Å |
| 7 | W | 66.7 | Low | 73.3 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 28% | 0.28 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -65.9 | -14.6 | 174.3 | -60.4 | 82.6 | 0 | 0 | 0 | 114.4 | S5 G9 I10 F17 A214 K218 | S5-W7 PolarHBondContact O-N 2.61Å; W7-G9 VanDerWaalsContact C-N 3.3Å; W7-I10 HydrophobicContact CE3-CD1 3.87Å; W7-I10 HydrophobicContact CZ3-CD1 4.23Å; W7-I10 WeakPolarHBondContact O-CG1 3.49Å; W7-F17 HydrophobicContact CE3-CE1 4.31Å; W7-F17 AromaticContact CE3-CZ 3.96Å; W7-F17 HydrophobicContact CE3-CZ 3.96Å; W7-F17 HydrophobicContact CZ3-CE1 4.23Å; W7-F17 AromaticContact CZ3-CE2 3.69Å; W7-F17 HydrophobicContact CZ3-CE2 3.69Å; W7-F17 AromaticContact CZ3-CZ 3.47Å; W7-F17 HydrophobicContact CZ3-CZ 3.47Å; W7-F17 VanDerWaalsContact CZ3-CZ 3.47Å; W7-A214 HydrophobicContact CB-CB 4.18Å; W7-K218 HydrophobicContact CD2-CB 4.18Å; W7-K218 HydrophobicContact CD2-CD 4.43Å; W7-K218 HydrophobicContact CD2-CG 4.39Å; W7-K218 HydrophobicContact CE3-CB 4.34Å; W7-K218 HydrophobicContact CH2-CB 4.31Å; W7-K218 HydrophobicContact CH2-CG 4.24Å; W7-K218 HydrophobicContact CZ2-CB 4.14Å; W7-K218 HydrophobicContact CZ2-CD 4.12Å; W7-K218 HydrophobicContact CZ2-CG 3.69Å; W7-K218 HydrophobicContact CZ3-CB 4.41Å |
| 8 | V | 64.8 | Low | 74.5 | Confident | 26 Ų | 26 | 86 Ų | 86 | 16% | 0.158 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -71.7 | -27.6 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L4 S5 P6 I10 W11 P211 | L4-V8 HydrophobicContact CB-CB 4.22Å; L4-V8 HydrophobicContact CB-CG1 4.43Å; L4-V8 HydrophobicContact CB-CG2 4.07Å; L4-V8 HydrophobicContact CD1-CG1 4.45Å; L4-V8 HydrophobicContact CD2-CG1 4.44Å; L4-V8 HydrophobicContact CD2-CG2 4.27Å; S5-V8 VanDerWaalsContact O-CB 3.31Å; S5-V8 WeakPolarHBondContact O-CB 3.43Å; S5-V8 VanDerWaalsContact O-CG2 3.29Å; S5-V8 WeakPolarHBondContact O-CG2 3.44Å; S5-V8 PolarHBondContact O-N 3.39Å; P6-V8 PolarHBondContact O-N 3.14Å; V8-I10 PolarHBondContact O-N 3.24Å; V8-I10 VanDerWaalsContact O-N 3.13Å; V8-W11 WeakPolarHBondContact O-CB 3.19Å; V8-W11 VanDerWaalsContact O-CD1 3.24Å; V8-W11 PolarHBondContact O-N 3.01Å; V8-P211 HydrophobicContact CG2-CB 3.94Å; V8-P211 HydrophobicContact CG2-CG 3.87Å |
| 9 | G | 74.5 | Confident | 75.7 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -67.8 | -6.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P6 W7 | P6-G9 WeakPolarHBondContact O-CA 3.43Å; P6-G9 PolarHBondContact O-N 3.47Å; W7-G9 VanDerWaalsContact C-N 3.3Å |
| 10 | I | 82.5 | Confident | 76.7 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -114.4 | 23.6 | 177.4 | 63.4 | 161.9 | 0 | 0 | 0 | 112.9 | W7 V8 D12 Q13 F17 | W7-I10 HydrophobicContact CE3-CD1 3.87Å; W7-I10 HydrophobicContact CZ3-CD1 4.23Å; W7-I10 WeakPolarHBondContact O-CG1 3.49Å; V8-I10 PolarHBondContact O-N 3.24Å; V8-I10 VanDerWaalsContact O-N 3.13Å; I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.01Å; I10-Q13 HydrophobicContact CB-CB 4.16Å; I10-Q13 PolarHBondContact O-N 3.41Å; I10-F17 HydrophobicContact CD1-CB 4.45Å; I10-F17 HydrophobicContact CD1-CD1 3.88Å; I10-F17 HydrophobicContact CD1-CE1 4.21Å; I10-F17 HydrophobicContact CD1-CG 4.05Å |
| 11 | W | 83.4 | Confident | 77.6 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -56.5 | -35.1 | -174.9 | 65.3 | -90 | 0 | 0 | 0 | 114.1 | V8 Y206 L210 | V8-W11 WeakPolarHBondContact O-CB 3.19Å; V8-W11 VanDerWaalsContact O-CD1 3.24Å; V8-W11 PolarHBondContact O-N 3.01Å; W11-Y206 HydrophobicContact CD2-CE1 4.48Å; W11-Y206 HydrophobicContact CE3-CD1 4.13Å; W11-Y206 AromaticContact CE3-CE1 3.56Å; W11-Y206 HydrophobicContact CE3-CE1 3.56Å; W11-Y206 AromaticContact CZ3-CE1 3.75Å; W11-Y206 HydrophobicContact CZ3-CE1 3.75Å; W11-L210 HydrophobicContact CB-CD2 3.76Å |
| 12 | D | 87.2 | Confident | 80.4 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -82.2 | -32.1 | 176.4 | 64.2 | -45.3 | 0 | 0 | 0 | 112.4 | I10 A14 | I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.01Å; D12-A14 PolarHBondContact O-N 3.1Å; D12-A14 VanDerWaalsContact O-N 3.08Å |
| 13 | Q | 91.3 | Very high | 82.9 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 14.1 | -172.7 | -63.6 | -58.2 | -46.1 | 0 | 0 | 115.5 | I10 T15 N16 F17 | I10-Q13 HydrophobicContact CB-CB 4.16Å; I10-Q13 PolarHBondContact O-N 3.41Å; Q13-T15 PolarHBondContact O-N 3.39Å; Q13-T15 VanDerWaalsContact O-N 3.08Å; Q13-N16 WeakPolarHBondContact O-CA 3.2Å; Q13-N16 PolarHBondContact O-N 3.44Å; Q13-N16 PolarHBondContact OE1-ND2 3.36Å; Q13-F17 PolarHBondContact O-N 2.67Å |
| 14 | A | 91.6 | Very high | 85.2 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.2 | -35.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D12 N16 F17 I18 R121 W213 | D12-A14 PolarHBondContact O-N 3.1Å; D12-A14 VanDerWaalsContact O-N 3.08Å; A14-N16 VanDerWaalsContact C-N 3.34Å; A14-N16 PolarHBondContact O-N 3.01Å; A14-F17 PolarHBondContact O-N 3.35Å; A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.22Å; A14-I18 PolarHBondContact O-N 3.44Å; A14-R121 HydrophobicContact CB-CG 4.5Å; A14-W213 HydrophobicContact CB-CH2 3.7Å; A14-W213 HydrophobicContact CB-CZ3 3.88Å |
| 15 | T | 93.8 | Very high | 87.1 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 175.3 | -58 | 0 | 0 | 0 | 0 | 112.2 | Q13 K19 | Q13-T15 PolarHBondContact O-N 3.39Å; Q13-T15 VanDerWaalsContact O-N 3.08Å; T15-K19 WeakPolarHBondContact O-CG 3.44Å; T15-K19 PolarHBondContact O-N 3.42Å |
| 16 | N | 94.4 | Very high | 88.6 | Confident | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.2 | -34.4 | 179.5 | -67.9 | -29 | 0 | 0 | 0 | 111.2 | Q13 A14 K19 Y20 | Q13-N16 WeakPolarHBondContact O-CA 3.2Å; Q13-N16 PolarHBondContact O-N 3.44Å; Q13-N16 PolarHBondContact OE1-ND2 3.36Å; A14-N16 VanDerWaalsContact C-N 3.34Å; A14-N16 PolarHBondContact O-N 3.01Å; N16-K19 PolarHBondContact O-N 3.11Å; N16-Y20 WeakPolarHBondContact O-CB 3.2Å; N16-Y20 PolarHBondContact O-N 3.26Å |
| 17 | F | 93.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 62.3 Ų | 62.3 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 172.9 | -171.2 | -150.7 | 0 | 0 | 0 | 112.5 | W7 I10 Q13 A14 Y20 H21 W117 W213 | W7-F17 HydrophobicContact CE3-CE1 4.31Å; W7-F17 AromaticContact CE3-CZ 3.96Å; W7-F17 HydrophobicContact CE3-CZ 3.96Å; W7-F17 HydrophobicContact CZ3-CE1 4.23Å; W7-F17 AromaticContact CZ3-CE2 3.69Å; W7-F17 HydrophobicContact CZ3-CE2 3.69Å; W7-F17 AromaticContact CZ3-CZ 3.47Å; W7-F17 HydrophobicContact CZ3-CZ 3.47Å; W7-F17 VanDerWaalsContact CZ3-CZ 3.47Å; I10-F17 HydrophobicContact CD1-CB 4.45Å; I10-F17 HydrophobicContact CD1-CD1 3.88Å; I10-F17 HydrophobicContact CD1-CE1 4.21Å; I10-F17 HydrophobicContact CD1-CG 4.05Å; Q13-F17 PolarHBondContact O-N 2.67Å; A14-F17 PolarHBondContact O-N 3.35Å; F17-Y20 WeakPolarHBondContact O-CB 3.16Å; F17-Y20 PolarHBondContact O-N 3.06Å; F17-H21 AromaticContact CD2-CD2 3.83Å; F17-H21 AromaticContact CD2-NE2 3.9Å; F17-H21 AromaticContact CE2-CD2 3.56Å; F17-H21 AromaticContact CE2-NE2 3.14Å; F17-H21 WeakPolarHBondContact CE2-NE2 3.41Å; F17-H21 AromaticContact CZ-CD2 3.94Å; F17-H21 AromaticContact CZ-NE2 3.23Å; F17-H21 WeakPolarHBondContact CZ-NE2 3.29Å; F17-H21 PolarHBondContact O-CD2 3.22Å; F17-H21 PolarHBondContact O-N 3.25Å; F17-H21 VanDerWaalsContact O-N 3.13Å; F17-W117 AromaticContact CD1-CH2 3.9Å; F17-W117 HydrophobicContact CD1-CH2 3.9Å; F17-W117 AromaticContact CD1-CZ2 3.8Å; F17-W117 HydrophobicContact CD1-CZ2 3.8Å; F17-W117 HydrophobicContact CE1-CH2 4.06Å; F17-W117 AromaticContact CE1-CZ2 3.63Å; F17-W117 HydrophobicContact CE1-CZ2 3.63Å; F17-W117 HydrophobicContact CG-CH2 4.27Å; F17-W117 HydrophobicContact CZ-CZ2 4.29Å; F17-W213 AromaticContact CD1-CH2 3.91Å; F17-W213 HydrophobicContact CD1-CH2 3.91Å; F17-W213 HydrophobicContact CD1-CZ3 4.03Å |
| 18 | I | 96 | Very high | 91.5 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 172.5 | -71.1 | 164.3 | 0 | 0 | 0 | 111.7 | A14 D22 F114 W117 K118 R121 W213 | A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.22Å; A14-I18 PolarHBondContact O-N 3.44Å; I18-D22 PolarHBondContact O-N 2.92Å; I18-F114 HydrophobicContact CG2-CE2 4.12Å; I18-F114 HydrophobicContact CG2-CZ 4Å; I18-W117 HydrophobicContact CB-CZ3 4.42Å; I18-W117 HydrophobicContact CG1-CH2 3.79Å; I18-W117 HydrophobicContact CG1-CZ3 3.68Å; I18-K118 HydrophobicContact CD1-CG 4.41Å; I18-K118 HydrophobicContact CG2-CD 3.92Å; I18-K118 HydrophobicContact CG2-CG 4.18Å; I18-R121 HydrophobicContact CD1-CB 4.23Å; I18-R121 HydrophobicContact CD1-CG 4.07Å; I18-W213 HydrophobicContact CD1-CH2 4.49Å; I18-W213 HydrophobicContact CD1-CZ2 4.09Å; I18-W213 HydrophobicContact CG1-CH2 4.38Å; I18-W213 HydrophobicContact CG1-CZ2 4.06Å |
| 19 | K | 96.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.9 | -72.4 | 170.9 | -177.9 | 174 | 0 | 112.1 | T15 N16 D22 I23 | T15-K19 WeakPolarHBondContact O-CG 3.44Å; T15-K19 PolarHBondContact O-N 3.42Å; N16-K19 PolarHBondContact O-N 3.11Å; K19-D22 PolarHBondContact O-N 3.48Å; K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.16Å; K19-I23 PolarHBondContact O-N 3.32Å |
| 20 | Y | 95.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 68 Ų | 68 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 178.3 | 176.9 | -93.7 | 0 | 0 | 0 | 111.5 | N16 F17 D22 I23 G24 E221 | N16-Y20 WeakPolarHBondContact O-CB 3.2Å; N16-Y20 PolarHBondContact O-N 3.26Å; F17-Y20 WeakPolarHBondContact O-CB 3.16Å; F17-Y20 PolarHBondContact O-N 3.06Å; Y20-D22 PolarHBondContact O-N 2.82Å; Y20-I23 PolarHBondContact O-N 3.39Å; Y20-G24 PolarHBondContact O-N 2.79Å; Y20-E221 HydrophobicContact CE1-CG 4.3Å |
| 21 | H | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.7 | -82.8 | -67.8 | 0 | 0 | 0 | 113.2 | F17 G24 I25 F114 W117 G217 E221 R224 | F17-H21 AromaticContact CD2-CD2 3.83Å; F17-H21 AromaticContact CD2-NE2 3.9Å; F17-H21 AromaticContact CE2-CD2 3.56Å; F17-H21 AromaticContact CE2-NE2 3.14Å; F17-H21 WeakPolarHBondContact CE2-NE2 3.41Å; F17-H21 AromaticContact CZ-CD2 3.94Å; F17-H21 AromaticContact CZ-NE2 3.23Å; F17-H21 WeakPolarHBondContact CZ-NE2 3.29Å; F17-H21 PolarHBondContact O-CD2 3.22Å; F17-H21 PolarHBondContact O-N 3.25Å; F17-H21 VanDerWaalsContact O-N 3.13Å; H21-G24 PolarHBondContact O-N 2.87Å; H21-I25 WeakPolarHBondContact O-CG1 3.5Å; H21-I25 PolarHBondContact O-N 3.07Å; H21-F114 HydrophobicContact CB-CD2 3.87Å; H21-F114 HydrophobicContact CB-CE2 3.72Å; H21-W117 HydrophobicContact CB-CZ3 4.37Å; H21-W117 AromaticContact CD2-CH2 3.32Å; H21-W117 WeakPolarHBondContact CD2-CH2 3.17Å; H21-W117 AromaticContact CD2-CZ3 3.48Å; H21-W117 VanDerWaalsContact CD2-CZ3 3.48Å; H21-W117 WeakPolarHBondContact CD2-CZ3 3.24Å; H21-W117 AromaticContact NE2-CH2 3.83Å; H21-G217 PolarHBondContact CE1-O 3.17Å; H21-G217 PolarHBondContact NE2-O 3.45Å; H21-E221 IonicContact CE1-OE2 2.68Å; H21-E221 PolarHBondContact CE1-OE2 2.7Å; H21-E221 IonicContact CG-OE2 3.51Å; H21-E221 IonicContact ND1-OE2 3.12Å; H21-E221 PolarHBondContact ND1-OE2 3.15Å; H21-R224 PolarHBondContact O-NH2 2.92Å |
| 22 | D | 97.4 | Very high | 95 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 178.2 | -165.1 | 88.9 | 0 | 0 | 0 | 111.6 | I18 K19 Y20 G24 I25 N26 F114 | I18-D22 PolarHBondContact O-N 2.92Å; K19-D22 PolarHBondContact O-N 3.48Å; Y20-D22 PolarHBondContact O-N 2.82Å; D22-G24 VanDerWaalsContact C-N 3.28Å; D22-G24 PolarHBondContact O-N 2.93Å; D22-I25 PolarHBondContact O-N 3.43Å; D22-N26 PolarHBondContact O-N 3.15Å; D22-N26 PolarHBondContact O-ND2 3.04Å; D22-N26 PolarHBondContact OD2-ND2 2.89Å; D22-F114 HydrophobicContact CB-CE1 4.21Å; D22-F114 HydrophobicContact CB-CZ 3.81Å; D22-F114 WeakPolarHBondContact OD1-CE1 3.41Å |
| 23 | I | 97.7 | Very high | 95.3 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 59% | 0.585 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 174.5 | -67.8 | 165 | 0 | 0 | 0 | 110.8 | K19 Y20 N26 L27 | K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.16Å; K19-I23 PolarHBondContact O-N 3.32Å; Y20-I23 PolarHBondContact O-N 3.39Å; I23-N26 PolarHBondContact O-N 2.86Å; I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 PolarHBondContact O-N 2.84Å |
| 24 | G | 96.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | Y20 H21 D22 N26 L27 H28 | Y20-G24 PolarHBondContact O-N 2.79Å; H21-G24 PolarHBondContact O-N 2.87Å; D22-G24 VanDerWaalsContact C-N 3.28Å; D22-G24 PolarHBondContact O-N 2.93Å; G24-N26 VanDerWaalsContact C-N 3.34Å; G24-L27 PolarHBondContact O-N 3.23Å; G24-H28 WeakPolarHBondContact O-CB 3.28Å; G24-H28 PolarHBondContact O-N 2.87Å |
| 25 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 170.7 | -62.3 | 160.6 | 0 | 0 | 0 | 109.7 | H21 D22 L27 H28 E29 I107 E110 R111 F114 | H21-I25 WeakPolarHBondContact O-CG1 3.5Å; H21-I25 PolarHBondContact O-N 3.07Å; D22-I25 PolarHBondContact O-N 3.43Å; I25-L27 PolarHBondContact O-N 3.23Å; I25-H28 PolarHBondContact O-N 3.2Å; I25-H28 VanDerWaalsContact O-N 3.14Å; I25-E29 PolarHBondContact O-N 3.23Å; I25-I107 HydrophobicContact CG2-CG2 4.46Å; I25-E110 HydrophobicContact CG1-CG 4.15Å; I25-E110 WeakPolarHBondContact CG1-OE1 3.32Å; I25-R111 HydrophobicContact CD1-CG 4.49Å; I25-R111 HydrophobicContact CG2-CG 3.61Å; I25-R111 VanDerWaalsContact CG2-CZ 3.47Å; I25-F114 HydrophobicContact CD1-CB 3.65Å; I25-F114 HydrophobicContact CD1-CD1 3.67Å; I25-F114 HydrophobicContact CD1-CD2 4.21Å; I25-F114 HydrophobicContact CD1-CE1 4.33Å; I25-F114 HydrophobicContact CD1-CG 3.59Å |
| 26 | N | 97.2 | Very high | 95.4 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -28.9 | -178.1 | -60.2 | -30.3 | 0 | 0 | 0 | 111.7 | D22 I23 G24 R30 R111 | D22-N26 PolarHBondContact O-N 3.15Å; D22-N26 PolarHBondContact O-ND2 3.04Å; D22-N26 PolarHBondContact OD2-ND2 2.89Å; I23-N26 PolarHBondContact O-N 2.86Å; G24-N26 VanDerWaalsContact C-N 3.34Å; N26-R30 VanDerWaalsContact O-CG 3.29Å; N26-R30 WeakPolarHBondContact O-CG 3.32Å; N26-R30 PolarHBondContact O-N 2.8Å; N26-R111 PolarHBondContact OD1-NH1 3.47Å; N26-R111 VanDerWaalsContact OD1-NH1 3.17Å; N26-R111 PolarHBondContact OD1-NH2 2.97Å |
| 27 | L | 96.9 | Very high | 95.4 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74 | -42.4 | 171.5 | -177.6 | 61.4 | 0 | 0 | 0 | 112.2 | I23 G24 I25 E29 R30 L31 | I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 PolarHBondContact O-N 2.84Å; G24-L27 PolarHBondContact O-N 3.23Å; I25-L27 PolarHBondContact O-N 3.23Å; L27-E29 VanDerWaalsContact C-N 3.33Å; L27-E29 PolarHBondContact O-N 3Å; L27-R30 WeakPolarHBondContact O-CB 3.36Å; L27-R30 PolarHBondContact O-N 3.26Å; L27-L31 PolarHBondContact O-N 3.17Å |
| 28 | H | 95.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.9 | -166.6 | -162.1 | 0 | 0 | 0 | 111.4 | G24 I25 L31 Y32 I107 E110 | G24-H28 WeakPolarHBondContact O-CB 3.28Å; G24-H28 PolarHBondContact O-N 2.87Å; I25-H28 PolarHBondContact O-N 3.2Å; I25-H28 VanDerWaalsContact O-N 3.14Å; H28-L31 WeakPolarHBondContact O-CB 3.37Å; H28-L31 PolarHBondContact O-N 3.06Å; H28-Y32 AromaticContact CD2-CE2 3.76Å; H28-Y32 AromaticContact NE2-CE2 3.43Å; H28-Y32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-Y32 WeakPolarHBondContact O-CD2 3.19Å; H28-Y32 PolarHBondContact O-N 2.9Å; H28-Y32 VanDerWaalsContact O-N 3.15Å; H28-I107 HydrophobicContact CB-CD1 3.75Å; H28-I107 WeakPolarHBondContact ND1-CD1 3.42Å; H28-E110 IonicContact CE1-OE2 2.7Å; H28-E110 IonicContact CG-OE2 2.65Å; H28-E110 IonicContact ND1-OE2 2.72Å; H28-E110 PolarHBondContact ND1-OE2 2.69Å |
| 29 | E | 95 | Very high | 95.1 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 173 | -170.1 | 175.8 | 147.6 | 0 | 0 | 112.2 | I25 L27 L31 Y32 K33 I107 R111 | I25-E29 PolarHBondContact O-N 3.23Å; L27-E29 VanDerWaalsContact C-N 3.33Å; L27-E29 PolarHBondContact O-N 3Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 2.96Å; E29-Y32 PolarHBondContact O-N 3.48Å; E29-K33 PolarHBondContact O-N 3.46Å; E29-I107 HydrophobicContact CB-CD1 4.18Å; E29-I107 HydrophobicContact CB-CG1 4.3Å; E29-I107 HydrophobicContact CB-CG2 4.02Å; E29-I107 HydrophobicContact CG-CG2 4.05Å; E29-I107 WeakPolarHBondContact OE2-CG2 3.41Å; E29-R111 IonicContact OE2-CZ 3.86Å; E29-R111 IonicContact OE2-NE 3.97Å; E29-R111 PolarHBondContact OE2-NE 2.81Å; E29-R111 VanDerWaalsContact OE2-NE 3.17Å; E29-R111 IonicContact OE2-NH2 2.7Å; E29-R111 PolarHBondContact OE2-NH2 3.32Å |
| 30 | R | 95.6 | Very high | 94.9 | Very high | 183 Ų | 183 | 59.6 Ų | 59.6 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64 | -34.8 | 173.8 | -77.7 | 175.9 | 65.1 | -172 | -1.1 | 112.6 | N26 L27 K33 F34 | N26-R30 VanDerWaalsContact O-CG 3.29Å; N26-R30 WeakPolarHBondContact O-CG 3.32Å; N26-R30 PolarHBondContact O-N 2.8Å; L27-R30 WeakPolarHBondContact O-CB 3.36Å; L27-R30 PolarHBondContact O-N 3.26Å; R30-K33 PolarHBondContact O-N 2.96Å; R30-F34 WeakPolarHBondContact O-CB 3.42Å; R30-F34 PolarHBondContact O-N 3.39Å |
| 31 | L | 94.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.183 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 173.3 | 177 | 62.3 | 0 | 0 | 0 | 110.8 | L27 H28 E29 K33 F34 L35 T228 | L27-L31 PolarHBondContact O-N 3.17Å; H28-L31 WeakPolarHBondContact O-CB 3.37Å; H28-L31 PolarHBondContact O-N 3.06Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 3.17Å; L31-F34 HydrophobicContact CD1-CD1 4.46Å; L31-F34 PolarHBondContact O-N 2.85Å; L31-L35 HydrophobicContact CD1-CD1 4.13Å; L31-L35 HydrophobicContact CD1-CG 4.23Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.46Å; L31-T228 HydrophobicContact CD2-CG2 3.84Å |
| 32 | Y | 93.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.9 | -83.6 | -70.9 | 0 | 0 | 0 | 112.6 | H28 E29 F34 L35 I36 A99 I106 I107 L231 | H28-Y32 AromaticContact CD2-CE2 3.76Å; H28-Y32 AromaticContact NE2-CE2 3.43Å; H28-Y32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-Y32 WeakPolarHBondContact O-CD2 3.19Å; H28-Y32 PolarHBondContact O-N 2.9Å; H28-Y32 VanDerWaalsContact O-N 3.15Å; E29-Y32 PolarHBondContact O-N 3.48Å; Y32-F34 PolarHBondContact O-N 2.96Å; Y32-L35 PolarHBondContact O-N 3.22Å; Y32-I36 VanDerWaalsContact O-CG1 3.29Å; Y32-I36 WeakPolarHBondContact O-CG1 3.21Å; Y32-I36 PolarHBondContact O-N 2.98Å; Y32-A99 HydrophobicContact CD1-CB 4.09Å; Y32-I106 HydrophobicContact CE2-CG2 4.12Å; Y32-I106 WeakPolarHBondContact OH-CD1 3.21Å; Y32-I107 HydrophobicContact CD2-CD1 4.07Å; Y32-I107 HydrophobicContact CD2-CG1 3.88Å; Y32-I107 HydrophobicContact CE2-CD1 4.36Å; Y32-I107 HydrophobicContact CE2-CG1 4.32Å; Y32-L231 HydrophobicContact CD1-CD2 4.48Å; Y32-L231 HydrophobicContact CE1-CD2 3.71Å |
| 33 | K | 92.9 | Very high | 94.4 | Very high | 128 Ų | 128 | 59.8 Ų | 59.8 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -45.4 | 175.3 | 176.1 | 165.3 | 168.8 | 51.1 | 0 | 112.1 | E29 R30 L31 I36 D37 | E29-K33 PolarHBondContact O-N 3.46Å; R30-K33 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 3.17Å; K33-I36 PolarHBondContact O-N 3.32Å; K33-D37 WeakPolarHBondContact CG-OD2 3.36Å; K33-D37 IonicContact NZ-OD2 3.78Å; K33-D37 PolarHBondContact NZ-OD2 2.87Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 2.66Å |
| 34 | F | 94.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.7 | 162 | -115.6 | 0 | 0 | 0 | 111.8 | R30 L31 Y32 I36 D37 F38 L444 | R30-F34 WeakPolarHBondContact O-CB 3.42Å; R30-F34 PolarHBondContact O-N 3.39Å; L31-F34 HydrophobicContact CD1-CD1 4.46Å; L31-F34 PolarHBondContact O-N 2.85Å; Y32-F34 PolarHBondContact O-N 2.96Å; F34-I36 VanDerWaalsContact C-N 3.34Å; F34-I36 PolarHBondContact O-N 2.93Å; F34-D37 PolarHBondContact O-N 2.72Å; F34-F38 HydrophobicContact CE2-CB 4.1Å; F34-F38 HydrophobicContact CZ-CB 4.41Å; F34-F38 WeakPolarHBondContact O-CB 3.45Å; F34-F38 PolarHBondContact O-N 3.19Å; F34-L444 HydrophobicContact CD1-CD2 4.49Å; F34-L444 HydrophobicContact CD2-CD1 4.24Å; F34-L444 HydrophobicContact CD2-CD2 4.14Å; F34-L444 HydrophobicContact CE1-CD2 4.25Å; F34-L444 HydrophobicContact CE2-CD1 3.45Å; F34-L444 VanDerWaalsContact CE2-CD1 3.45Å; F34-L444 HydrophobicContact CE2-CD2 3.91Å; F34-L444 HydrophobicContact CE2-CG 4.3Å; F34-L444 HydrophobicContact CG-CD2 4.44Å; F34-L444 HydrophobicContact CZ-CD1 3.8Å; F34-L444 HydrophobicContact CZ-CD2 3.96Å |
| 35 | L | 93.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | -179.5 | -65.5 | 171 | 0 | 0 | 0 | 112.3 | L31 Y32 A39 F95 A99 L231 L235 | L31-L35 HydrophobicContact CD1-CD1 4.13Å; L31-L35 HydrophobicContact CD1-CG 4.23Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.46Å; Y32-L35 PolarHBondContact O-N 3.22Å; L35-A39 WeakPolarHBondContact O-CB 3.49Å; L35-A39 PolarHBondContact O-N 3.49Å; L35-F95 HydrophobicContact CB-CD1 4.42Å; L35-F95 HydrophobicContact CD2-CD1 3.69Å; L35-F95 HydrophobicContact CD2-CE1 3.53Å; L35-A99 HydrophobicContact CB-CB 3.58Å; L35-A99 HydrophobicContact CD1-CB 4.44Å; L35-L231 HydrophobicContact CD1-CD2 3.73Å; L35-L231 HydrophobicContact CD1-CG 4.43Å; L35-L235 HydrophobicContact CD1-CD1 4.15Å; L35-L235 HydrophobicContact CD2-CD1 3.9Å |
| 36 | I | 92.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 173.9 | -70.5 | 167.3 | 0 | 0 | 0 | 111.5 | Y32 K33 F34 A39 K40 A99 | Y32-I36 VanDerWaalsContact O-CG1 3.29Å; Y32-I36 WeakPolarHBondContact O-CG1 3.21Å; Y32-I36 PolarHBondContact O-N 2.98Å; K33-I36 PolarHBondContact O-N 3.32Å; F34-I36 VanDerWaalsContact C-N 3.34Å; F34-I36 PolarHBondContact O-N 2.93Å; I36-A39 WeakPolarHBondContact O-CB 3.42Å; I36-A39 PolarHBondContact O-N 3.28Å; I36-K40 WeakPolarHBondContact O-CG 3.18Å; I36-K40 PolarHBondContact O-N 3.22Å; I36-K40 VanDerWaalsContact O-N 3.16Å; I36-A99 WeakPolarHBondContact CD1-O 3.27Å; I36-A99 HydrophobicContact CG1-CB 3.87Å |
| 37 | D | 93.2 | Very high | 93.5 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73 | -30.4 | -177.7 | -67.5 | -27.3 | 0 | 0 | 0 | 111.8 | K33 F34 K40 L41 | K33-D37 WeakPolarHBondContact CG-OD2 3.36Å; K33-D37 IonicContact NZ-OD2 3.78Å; K33-D37 PolarHBondContact NZ-OD2 2.87Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 2.66Å; F34-D37 PolarHBondContact O-N 2.72Å; D37-K40 IonicContact OD1-NZ 3.62Å; D37-K40 PolarHBondContact OD1-NZ 3.23Å; D37-L41 PolarHBondContact O-N 2.72Å |
| 38 | F | 92.7 | Very high | 93.3 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 167 | 178.5 | -93.9 | 0 | 0 | 0 | 112.2 | F34 K40 L41 Q42 I91 F95 | F34-F38 HydrophobicContact CE2-CB 4.1Å; F34-F38 HydrophobicContact CZ-CB 4.41Å; F34-F38 WeakPolarHBondContact O-CB 3.45Å; F34-F38 PolarHBondContact O-N 3.19Å; F38-K40 VanDerWaalsContact C-N 3.33Å; F38-K40 PolarHBondContact O-N 2.94Å; F38-L41 PolarHBondContact O-N 3.03Å; F38-Q42 HydrophobicContact CD1-CG 4.19Å; F38-Q42 HydrophobicContact CE1-CG 3.82Å; F38-Q42 HydrophobicContact CE2-CG 4.44Å; F38-Q42 HydrophobicContact CZ-CG 3.97Å; F38-Q42 WeakPolarHBondContact O-CG 3.32Å; F38-Q42 PolarHBondContact O-N 2.98Å; F38-I91 HydrophobicContact CE1-CG2 4.08Å; F38-F95 AromaticContact CD1-CD1 3.43Å; F38-F95 HydrophobicContact CD1-CD1 3.43Å; F38-F95 VanDerWaalsContact CD1-CD1 3.43Å; F38-F95 AromaticContact CD1-CE1 3.61Å; F38-F95 HydrophobicContact CD1-CE1 3.61Å; F38-F95 AromaticContact CD1-CG 4Å; F38-F95 HydrophobicContact CD1-CG 4Å; F38-F95 HydrophobicContact CD1-CZ 4.3Å; F38-F95 AromaticContact CE1-CD1 3.83Å; F38-F95 HydrophobicContact CE1-CD1 3.83Å; F38-F95 HydrophobicContact CE1-CD2 4.38Å; F38-F95 AromaticContact CE1-CE1 3.66Å; F38-F95 HydrophobicContact CE1-CE1 3.66Å; F38-F95 HydrophobicContact CE1-CE2 4.25Å; F38-F95 HydrophobicContact CE1-CG 4.19Å; F38-F95 AromaticContact CE1-CZ 3.89Å; F38-F95 HydrophobicContact CE1-CZ 3.89Å; F38-F95 HydrophobicContact CG-CD1 4.47Å |
| 39 | A | 92.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L35 I36 Q42 K43 S92 F95 E96 | L35-A39 WeakPolarHBondContact O-CB 3.49Å; L35-A39 PolarHBondContact O-N 3.49Å; I36-A39 WeakPolarHBondContact O-CB 3.42Å; I36-A39 PolarHBondContact O-N 3.28Å; A39-Q42 PolarHBondContact O-N 2.95Å; A39-K43 WeakPolarHBondContact O-CB 3.37Å; A39-K43 PolarHBondContact O-N 3.1Å; A39-S92 PolarHBondContact O-OG 3.14Å; A39-F95 HydrophobicContact CB-CB 3.79Å; A39-E96 HydrophobicContact CB-CB 4.09Å |
| 40 | K | 92.3 | Very high | 93.2 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 46% | 0.457 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 174.7 | -64.9 | 167.7 | -166.3 | 161.2 | 0 | 112 | I36 D37 F38 Q42 K43 D44 | I36-K40 WeakPolarHBondContact O-CG 3.18Å; I36-K40 PolarHBondContact O-N 3.22Å; I36-K40 VanDerWaalsContact O-N 3.16Å; D37-K40 IonicContact OD1-NZ 3.62Å; D37-K40 PolarHBondContact OD1-NZ 3.23Å; F38-K40 VanDerWaalsContact C-N 3.33Å; F38-K40 PolarHBondContact O-N 2.94Å; K40-Q42 VanDerWaalsContact C-N 3.26Å; K40-Q42 PolarHBondContact O-N 3.45Å; K40-K43 WeakPolarHBondContact O-CA 3.39Å; K40-K43 WeakPolarHBondContact O-CB 3.26Å; K40-K43 PolarHBondContact O-N 3.04Å; K40-D44 PolarHBondContact O-N 2.61Å |
| 41 | L | 93.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 179.4 | 179.4 | 63.3 | 0 | 0 | 0 | 112.1 | D37 F38 A45 | D37-L41 PolarHBondContact O-N 2.72Å; F38-L41 PolarHBondContact O-N 3.03Å; L41-A45 WeakPolarHBondContact O-CB 3.08Å; L41-A45 PolarHBondContact O-N 3.04Å |
| 42 | Q | 92.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 174.7 | -60.3 | -58.9 | -7.9 | 0 | 0 | 112.7 | F38 A39 K40 A45 Y46 R437 | F38-Q42 HydrophobicContact CD1-CG 4.19Å; F38-Q42 HydrophobicContact CE1-CG 3.82Å; F38-Q42 HydrophobicContact CE2-CG 4.44Å; F38-Q42 HydrophobicContact CZ-CG 3.97Å; F38-Q42 WeakPolarHBondContact O-CG 3.32Å; F38-Q42 PolarHBondContact O-N 2.98Å; A39-Q42 PolarHBondContact O-N 2.95Å; K40-Q42 VanDerWaalsContact C-N 3.26Å; K40-Q42 PolarHBondContact O-N 3.45Å; Q42-A45 PolarHBondContact O-N 3.37Å; Q42-Y46 WeakPolarHBondContact O-CB 3.3Å; Q42-Y46 PolarHBondContact O-N 3.23Å; Q42-R437 VanDerWaalsContact OE1-CZ 3.31Å |
| 43 | K | 91.4 | Very high | 93 | Very high | 80 Ų | 80 | 62.4 Ų | 62.4 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.8 | -165.8 | 165 | -179.6 | 159.5 | 0 | 112.3 | A39 K40 Y46 V47 S92 E96 | A39-K43 WeakPolarHBondContact O-CB 3.37Å; A39-K43 PolarHBondContact O-N 3.1Å; K40-K43 WeakPolarHBondContact O-CA 3.39Å; K40-K43 WeakPolarHBondContact O-CB 3.26Å; K40-K43 PolarHBondContact O-N 3.04Å; K43-Y46 PolarHBondContact O-N 3.42Å; K43-V47 WeakPolarHBondContact O-CG2 3.44Å; K43-V47 PolarHBondContact O-N 3.38Å; K43-S92 VanDerWaalsContact CA-OG 3.3Å; K43-S92 WeakPolarHBondContact CA-OG 3.42Å; K43-S92 WeakPolarHBondContact CB-OG 3.36Å; K43-S92 PolarHBondContact N-OG 3.11Å; K43-S92 VanDerWaalsContact N-OG 3.16Å; K43-E96 IonicContact NZ-OE1 3.8Å; K43-E96 PolarHBondContact NZ-OE1 3.47Å; K43-E96 IonicContact NZ-OE2 2.73Å; K43-E96 PolarHBondContact NZ-OE2 3.44Å |
| 44 | D | 92.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.9 | -39.9 | 178.2 | -65.8 | -28.3 | 0 | 0 | 0 | 111 | K40 A48 | K40-D44 PolarHBondContact O-N 2.61Å; D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 3.23Å; D44-A48 VanDerWaalsContact O-N 3.07Å |
| 45 | A | 91.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 Q42 V47 A48 Q49 | L41-A45 WeakPolarHBondContact O-CB 3.08Å; L41-A45 PolarHBondContact O-N 3.04Å; Q42-A45 PolarHBondContact O-N 3.37Å; A45-V47 PolarHBondContact O-N 2.73Å; A45-A48 PolarHBondContact O-N 3.02Å; A45-A48 VanDerWaalsContact O-N 3.15Å; A45-Q49 VanDerWaalsContact O-CG 3.27Å; A45-Q49 WeakPolarHBondContact O-CG 3.47Å; A45-Q49 PolarHBondContact O-N 3.26Å; A45-Q49 PolarHBondContact O-OE1 3.05Å |
| 46 | Y | 93 | Very high | 92.7 | Very high | 30 Ų | 30 | 71 Ų | 71 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | 175.8 | 167.7 | -104.4 | 0 | 0 | 0 | 112 | Q42 K43 A48 Q49 K50 V85 D86 N89 | Q42-Y46 WeakPolarHBondContact O-CB 3.3Å; Q42-Y46 PolarHBondContact O-N 3.23Å; K43-Y46 PolarHBondContact O-N 3.42Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 3.28Å; Y46-Q49 PolarHBondContact O-N 3Å; Y46-K50 HydrophobicContact CE1-CD 4.31Å; Y46-K50 WeakPolarHBondContact O-CB 3.46Å; Y46-K50 PolarHBondContact O-N 3.14Å; Y46-K50 WeakPolarHBondContact OH-CD 3.3Å; Y46-K50 PolarHBondContact OH-NZ 3.28Å; Y46-V85 HydrophobicContact CD2-CG1 3.49Å; Y46-V85 VanDerWaalsContact CD2-CG1 3.49Å; Y46-V85 WeakPolarHBondContact CD2-O 3.49Å; Y46-V85 HydrophobicContact CE2-CG1 3.68Å; Y46-D86 WeakPolarHBondContact CE2-OD1 3.36Å; Y46-D86 VanDerWaalsContact CZ-OD1 3.28Å; Y46-D86 PolarHBondContact OH-OD1 2.93Å; Y46-N89 HydrophobicContact CD2-CB 3.53Å; Y46-N89 HydrophobicContact CE2-CB 3.57Å; Y46-N89 HydrophobicContact CG-CB 4.07Å; Y46-N89 VanDerWaalsContact CZ-ND2 3.28Å |
| 47 | V | 93 | Very high | 92.4 | Very high | 52 Ų | 52 | 73.6 Ų | 73.6 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | K43 A45 R51 | K43-V47 WeakPolarHBondContact O-CG2 3.44Å; K43-V47 PolarHBondContact O-N 3.38Å; A45-V47 PolarHBondContact O-N 2.73Å; V47-R51 VanDerWaalsContact CG1-CZ 3.44Å; V47-R51 WeakPolarHBondContact O-CB 3.21Å; V47-R51 WeakPolarHBondContact O-CD 3.38Å; V47-R51 VanDerWaalsContact O-CG 3.26Å; V47-R51 WeakPolarHBondContact O-CG 3.4Å; V47-R51 PolarHBondContact O-N 3.05Å |
| 48 | A | 94.1 | Very high | 91.7 | Very high | 61 Ų | 61 | 73 Ų | 73 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.9 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D44 A45 Y46 L52 | D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 3.23Å; D44-A48 VanDerWaalsContact O-N 3.07Å; A45-A48 PolarHBondContact O-N 3.02Å; A45-A48 VanDerWaalsContact O-N 3.15Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 3.28Å; A48-L52 PolarHBondContact O-N 2.57Å |
| 49 | Q | 94.1 | Very high | 90.9 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 178 | -68.3 | 170 | -88.1 | 0 | 0 | 111.8 | A45 Y46 L52 C53 V85 E88 R437 | A45-Q49 VanDerWaalsContact O-CG 3.27Å; A45-Q49 WeakPolarHBondContact O-CG 3.47Å; A45-Q49 PolarHBondContact O-N 3.26Å; A45-Q49 PolarHBondContact O-OE1 3.05Å; Y46-Q49 PolarHBondContact O-N 3Å; Q49-L52 VanDerWaalsContact O-CB 3.23Å; Q49-L52 WeakPolarHBondContact O-CB 3.33Å; Q49-L52 PolarHBondContact O-N 3.37Å; Q49-C53 PolarHBondContact O-N 3.29Å; Q49-C53 PolarHBondContact O-SG 3.41Å; Q49-V85 HydrophobicContact CB-CB 4.35Å; Q49-V85 HydrophobicContact CB-CG1 3.7Å; Q49-V85 HydrophobicContact CB-CG2 3.6Å; Q49-V85 HydrophobicContact CG-CG2 4.33Å; Q49-E88 PolarHBondContact NE2-OE2 3.17Å; Q49-E88 PolarHBondContact OE1-OE2 3.45Å; Q49-R437 VanDerWaalsContact OE1-NH2 3.16Å |
| 50 | K | 93 | Very high | 89.7 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 177.9 | 176.5 | 157.6 | -172.9 | 148.3 | 0 | 112.5 | Y46 L52 C53 E54 V85 | Y46-K50 HydrophobicContact CE1-CD 4.31Å; Y46-K50 WeakPolarHBondContact O-CB 3.46Å; Y46-K50 PolarHBondContact O-N 3.14Å; Y46-K50 WeakPolarHBondContact OH-CD 3.3Å; Y46-K50 PolarHBondContact OH-NZ 3.28Å; K50-L52 PolarHBondContact O-N 3.19Å; K50-C53 PolarHBondContact O-N 3.22Å; K50-E54 WeakPolarHBondContact CE-OE1 3.3Å; K50-E54 HydrophobicContact CG-CG 4.33Å; K50-E54 WeakPolarHBondContact CG-OE1 3.45Å; K50-E54 WeakPolarHBondContact O-CG 3.35Å; K50-E54 PolarHBondContact O-N 2.9Å; K50-V85 HydrophobicContact CB-CG1 4.36Å |
| 51 | R | 94 | Very high | 88.4 | Confident | 167 Ų | 167 | 76.4 Ų | 76.4 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.3 | -25.7 | 174.3 | -73.5 | 171.5 | 179.1 | 163.3 | 0.9 | 113.3 | V47 K55 | V47-R51 VanDerWaalsContact CG1-CZ 3.44Å; V47-R51 WeakPolarHBondContact O-CB 3.21Å; V47-R51 WeakPolarHBondContact O-CD 3.38Å; V47-R51 VanDerWaalsContact O-CG 3.26Å; V47-R51 WeakPolarHBondContact O-CG 3.4Å; V47-R51 PolarHBondContact O-N 3.05Å; R51-K55 VanDerWaalsContact O-CB 3.28Å; R51-K55 WeakPolarHBondContact O-CB 3.46Å; R51-K55 PolarHBondContact O-N 3.42Å |
| 52 | L | 93.7 | Very high | 87.6 | Confident | 100 Ų | 100 | 81 Ų | 81 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -50.6 | 171.9 | -165.4 | 77.4 | 0 | 0 | 0 | 110.1 | A48 Q49 K50 K55 Y56 | A48-L52 PolarHBondContact O-N 2.57Å; Q49-L52 VanDerWaalsContact O-CB 3.23Å; Q49-L52 WeakPolarHBondContact O-CB 3.33Å; Q49-L52 PolarHBondContact O-N 3.37Å; K50-L52 PolarHBondContact O-N 3.19Å; L52-K55 WeakPolarHBondContact O-CB 3.37Å; L52-K55 PolarHBondContact O-N 3.36Å; L52-K55 VanDerWaalsContact O-N 3.16Å; L52-Y56 HydrophobicContact CD1-CD2 4.26Å; L52-Y56 HydrophobicContact CD1-CE2 3.8Å; L52-Y56 HydrophobicContact CG-CD2 4.19Å; L52-Y56 HydrophobicContact CG-CE2 4.21Å; L52-Y56 WeakPolarHBondContact O-CD2 3.3Å; L52-Y56 PolarHBondContact O-N 2.81Å |
| 53 | C | 93.1 | Very high | 86.8 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | -179.8 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | Q49 K50 K55 Y56 L57 V78 Q82 | Q49-C53 PolarHBondContact O-N 3.29Å; Q49-C53 PolarHBondContact O-SG 3.41Å; K50-C53 PolarHBondContact O-N 3.22Å; C53-K55 PolarHBondContact O-N 3.25Å; C53-K55 VanDerWaalsContact O-N 3.16Å; C53-Y56 PolarHBondContact O-N 3.35Å; C53-L57 PolarHBondContact O-N 3.36Å; C53-V78 HydrophobicContact CB-CG1 4.11Å; C53-V78 WeakPolarHBondContact O-CG1 3.39Å; C53-Q82 HydrophobicContact CB-CB 4.17Å; C53-Q82 VanDerWaalsContact CB-OE1 3.32Å |
| 54 | E | 91 | Very high | 86 | Confident | 112 Ų | 112 | 83.9 Ų | 83.9 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.4 | -31.3 | 175.1 | -69.4 | 169.1 | 170.4 | 0 | 0 | 113.1 | K50 | K50-E54 WeakPolarHBondContact CE-OE1 3.3Å; K50-E54 HydrophobicContact CG-CG 4.33Å; K50-E54 WeakPolarHBondContact CG-OE1 3.45Å; K50-E54 WeakPolarHBondContact O-CG 3.35Å; K50-E54 PolarHBondContact O-N 2.9Å |
| 55 | K | 92.7 | Very high | 85.1 | Confident | 152 Ų | 152 | 79.7 Ų | 79.7 | 66% | 0.661 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -78.9 | -29.9 | -179.5 | 178.5 | -175.5 | 173.9 | -166.7 | 0 | 113.9 | R51 L52 C53 | R51-K55 VanDerWaalsContact O-CB 3.28Å; R51-K55 WeakPolarHBondContact O-CB 3.46Å; R51-K55 PolarHBondContact O-N 3.42Å; L52-K55 WeakPolarHBondContact O-CB 3.37Å; L52-K55 PolarHBondContact O-N 3.36Å; L52-K55 VanDerWaalsContact O-N 3.16Å; C53-K55 PolarHBondContact O-N 3.25Å; C53-K55 VanDerWaalsContact O-N 3.16Å |
| 56 | Y | 91.1 | Very high | 84.5 | Confident | 116 Ų | 116 | 79.9 Ų | 79.9 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -97 | -9.1 | -171.2 | -81.7 | -78.9 | 0 | 0 | 0 | 114.6 | L52 C53 S58 F74 | L52-Y56 HydrophobicContact CD1-CD2 4.26Å; L52-Y56 HydrophobicContact CD1-CE2 3.8Å; L52-Y56 HydrophobicContact CG-CD2 4.19Å; L52-Y56 HydrophobicContact CG-CE2 4.21Å; L52-Y56 WeakPolarHBondContact O-CD2 3.3Å; L52-Y56 PolarHBondContact O-N 2.81Å; C53-Y56 PolarHBondContact O-N 3.35Å; Y56-S58 PolarHBondContact O-N 2.83Å; Y56-S58 PolarHBondContact O-OG 3.14Å; Y56-F74 WeakPolarHBondContact O-CE1 3.18Å |
| 57 | L | 85.3 | Confident | 83.8 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | trans | -52.7 | 126.5 | 171.3 | -71.3 | 169.7 | 0 | 0 | 0 | 110.9 | C53 V78 | C53-L57 PolarHBondContact O-N 3.36Å; L57-V78 HydrophobicContact CD2-CB 4.25Å; L57-V78 HydrophobicContact CD2-CG1 3.73Å; L57-V78 HydrophobicContact CG-CG1 3.99Å | ||
| 58 | S | 79.5 | Confident | 83.3 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 33% | 0.329 | 41% | 0.412 | S | S | . | . | trans | -119.9 | 146.4 | -168.6 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | Y56 N75 | Y56-S58 PolarHBondContact O-N 2.83Å; Y56-S58 PolarHBondContact O-OG 3.14Å; S58-N75 PolarHBondContact N-OD1 2.77Å; S58-N75 PolarHBondContact O-ND2 3.4Å; S58-N75 PolarHBondContact O-OD1 2.94Å | ||
| 59 | D | 75.8 | Confident | 83 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | trans | -98.9 | 108.4 | -176.5 | -176.7 | -18.5 | 0 | 0 | 0 | 110.7 | Q61 K62 C63 | D59-Q61 PolarHBondContact O-N 2.95Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.43Å; D59-Q61 PolarHBondContact OD1-N 3.41Å; D59-K62 HydrophobicContact CB-CB 4.21Å; D59-K62 HydrophobicContact CB-CD 4.12Å; D59-K62 HydrophobicContact CB-CG 4.01Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-K62 IonicContact OD2-NZ 2.72Å; D59-K62 PolarHBondContact OD2-NZ 2.73Å; D59-C63 PolarHBondContact O-N 3.33Å | ||
| 60 | A | 66.4 | Low | 82.7 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.7 | -37.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K62 C63 F64 V71 | A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.45Å; A60-C63 PolarHBondContact O-N 2.81Å; A60-C63 VanDerWaalsContact O-N 3.14Å; A60-F64 PolarHBondContact O-N 3.04Å; A60-V71 HydrophobicContact CB-CB 3.85Å; A60-V71 HydrophobicContact CB-CG1 3.77Å; A60-V71 HydrophobicContact CB-CG2 4.29Å |
| 61 | Q | 64.3 | Low | 82.5 | Confident | 147 Ų | 147 | 80.8 Ų | 80.8 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.5 | -28.8 | -179.1 | -165 | 174.4 | 15.3 | 0 | 0 | 111.8 | D59 G65 | D59-Q61 PolarHBondContact O-N 2.95Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.43Å; D59-Q61 PolarHBondContact OD1-N 3.41Å; Q61-G65 VanDerWaalsContact O-CA 3.32Å; Q61-G65 WeakPolarHBondContact O-CA 3.49Å; Q61-G65 PolarHBondContact O-N 2.97Å |
| 62 | K | 76.8 | Confident | 82.2 | Confident | 169 Ų | 169 | 75.3 Ų | 75.3 | 74% | 0.735 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.1 | -26.7 | 173 | -66.5 | -171.2 | -178.1 | 79.6 | 0 | 113.5 | D59 A60 | D59-K62 HydrophobicContact CB-CB 4.21Å; D59-K62 HydrophobicContact CB-CD 4.12Å; D59-K62 HydrophobicContact CB-CG 4.01Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-K62 IonicContact OD2-NZ 2.72Å; D59-K62 PolarHBondContact OD2-NZ 2.73Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.45Å |
| 63 | C | 74.8 | Confident | 82 | Confident | 78 Ų | 78 | 72.4 Ų | 72.4 | 53% | 0.527 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -87 | -45.7 | -177.1 | -66.3 | 0 | 0 | 0 | 0 | 113 | D59 A60 | D59-C63 PolarHBondContact O-N 3.33Å; A60-C63 PolarHBondContact O-N 2.81Å; A60-C63 VanDerWaalsContact O-N 3.14Å |
| 64 | F | 74.9 | Confident | 81.9 | Confident | 94 Ų | 94 | 75.3 Ų | 75.3 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -124.7 | -5.8 | -171.9 | -65.2 | -77.9 | 0 | 0 | 0 | 114.2 | A60 V66 N68 V71 Y272 | A60-F64 PolarHBondContact O-N 3.04Å; F64-V66 HydrophobicContact CB-CG2 4.46Å; F64-V66 PolarHBondContact O-N 2.98Å; F64-N68 HydrophobicContact CD2-CB 4.28Å; F64-V71 HydrophobicContact CD2-CG2 3.62Å; F64-V71 HydrophobicContact CE2-CG2 3.48Å; F64-V71 VanDerWaalsContact CE2-CG2 3.48Å; F64-Y272 WeakPolarHBondContact O-CE1 3.49Å |
| 65 | G | 74.6 | Confident | 81.9 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 75.7 | -29 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q61 | Q61-G65 VanDerWaalsContact O-CA 3.32Å; Q61-G65 WeakPolarHBondContact O-CA 3.49Å; Q61-G65 PolarHBondContact O-N 2.97Å |
| 66 | V | 79.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -116.6 | 164.3 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | F64 Y272 | F64-V66 HydrophobicContact CB-CG2 4.46Å; F64-V66 PolarHBondContact O-N 2.98Å; V66-Y272 HydrophobicContact CG1-CD1 4.11Å; V66-Y272 HydrophobicContact CG1-CD2 3.43Å; V66-Y272 VanDerWaalsContact CG1-CD2 3.43Å; V66-Y272 HydrophobicContact CG1-CE2 3.94Å; V66-Y272 HydrophobicContact CG1-CG 3.53Å; V66-Y272 HydrophobicContact CG2-CD1 4.43Å; V66-Y272 HydrophobicContact CG2-CG 4.46Å |
| 67 | S | 77.4 | Confident | 81.9 | Confident | 86 Ų | 86 | 63.6 Ų | 63.6 | 60% | 0.601 | 34% | 0.336 | S | S | * | . | trans | -64.6 | 134.9 | 165 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | N | 83.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | trans | -147 | 136.9 | -175.2 | 171.4 | -81.8 | 0 | 0 | 0 | 109.3 | F64 Y70 V71 S72 D265 | F64-N68 HydrophobicContact CD2-CB 4.28Å; N68-Y70 PolarHBondContact O-N 2.94Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.47Å; N68-Y70 PolarHBondContact OD1-N 3.11Å; N68-V71 PolarHBondContact O-N 2.93Å; N68-S72 PolarHBondContact O-N 2.68Å; N68-S72 PolarHBondContact O-OG 3.43Å; N68-D265 WeakPolarHBondContact CA-OD1 3.06Å; N68-D265 WeakPolarHBondContact ND2-CB 3.28Å; N68-D265 PolarHBondContact ND2-OD1 3.2Å; N68-D265 PolarHBondContact ND2-OD2 3.47Å; N68-D265 PolarHBondContact OD1-OD2 3.17Å | ||
| 69 | S | 87.9 | Confident | 82.9 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -32.1 | -172.8 | 85.3 | 0 | 0 | 0 | 0 | 112.4 | V71 S72 F73 N261 D265 | S69-V71 PolarHBondContact O-N 2.98Å; S69-S72 PolarHBondContact O-N 3.35Å; S69-F73 WeakPolarHBondContact O-CB 3.4Å; S69-F73 PolarHBondContact O-N 3.06Å; S69-N261 PolarHBondContact OG-N 3.01Å; S69-D265 VanDerWaalsContact CB-OD2 3.3Å; S69-D265 WeakPolarHBondContact CB-OD2 3.12Å; S69-D265 VanDerWaalsContact N-CG 3.35Å; S69-D265 PolarHBondContact N-OD1 3.06Å; S69-D265 PolarHBondContact N-OD2 3.31Å; S69-D265 VanDerWaalsContact N-OD2 3.17Å; S69-D265 VanDerWaalsContact OG-CG 3.32Å; S69-D265 PolarHBondContact OG-OD2 2.98Å |
| 70 | Y | 88.4 | Confident | 83.8 | Confident | 148 Ų | 148 | 59.4 Ų | 59.4 | 58% | 0.58 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 177.3 | -164.6 | -89.8 | 0 | 0 | 0 | 112.8 | N68 F74 L260 D265 | N68-Y70 PolarHBondContact O-N 2.94Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.47Å; N68-Y70 PolarHBondContact OD1-N 3.11Å; Y70-F74 VanDerWaalsContact O-CB 3.3Å; Y70-F74 WeakPolarHBondContact O-CB 3.37Å; Y70-F74 PolarHBondContact O-N 3.48Å; Y70-L260 HydrophobicContact CD2-CD2 4.02Å; Y70-D265 PolarHBondContact N-OD2 3.46Å |
| 71 | V | 87.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.8 | -34.5 | 178.3 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | A60 F64 N68 S69 F74 N75 | A60-V71 HydrophobicContact CB-CB 3.85Å; A60-V71 HydrophobicContact CB-CG1 3.77Å; A60-V71 HydrophobicContact CB-CG2 4.29Å; F64-V71 HydrophobicContact CD2-CG2 3.62Å; F64-V71 HydrophobicContact CE2-CG2 3.48Å; F64-V71 VanDerWaalsContact CE2-CG2 3.48Å; N68-V71 PolarHBondContact O-N 2.93Å; S69-V71 PolarHBondContact O-N 2.98Å; V71-F74 PolarHBondContact O-N 3.2Å; V71-N75 WeakPolarHBondContact O-CB 3.34Å; V71-N75 PolarHBondContact O-N 2.84Å; V71-N75 PolarHBondContact O-ND2 2.83Å |
| 72 | S | 87.6 | Confident | 86.4 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -54.3 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | N68 S69 F74 N75 E76 | N68-S72 PolarHBondContact O-N 2.68Å; N68-S72 PolarHBondContact O-OG 3.43Å; S69-S72 PolarHBondContact O-N 3.35Å; S72-F74 VanDerWaalsContact C-N 3.33Å; S72-F74 PolarHBondContact O-N 2.86Å; S72-N75 PolarHBondContact O-N 3.48Å; S72-N75 VanDerWaalsContact O-N 3.14Å; S72-E76 WeakPolarHBondContact O-CB 3.5Å; S72-E76 WeakPolarHBondContact O-CG 3.34Å; S72-E76 PolarHBondContact O-N 3.48Å |
| 73 | F | 91.1 | Very high | 87.3 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.7 | -44.8 | 173.9 | 168.6 | -97.7 | 0 | 0 | 0 | 112.5 | S69 E76 L77 V256 L260 | S69-F73 WeakPolarHBondContact O-CB 3.4Å; S69-F73 PolarHBondContact O-N 3.06Å; F73-E76 PolarHBondContact O-N 3.12Å; F73-L77 HydrophobicContact CE1-CD2 4.46Å; F73-L77 VanDerWaalsContact O-CB 3.3Å; F73-L77 WeakPolarHBondContact O-CB 3.41Å; F73-L77 PolarHBondContact O-N 3.2Å; F73-V256 HydrophobicContact CD2-CG1 3.72Å; F73-V256 WeakPolarHBondContact CD2-O 3.33Å; F73-V256 HydrophobicContact CE2-CG1 3.98Å; F73-L260 HydrophobicContact CB-CD2 3.67Å; F73-L260 HydrophobicContact CB-CG 4.08Å; F73-L260 HydrophobicContact CD1-CD1 4Å; F73-L260 HydrophobicContact CD1-CD2 3.74Å; F73-L260 HydrophobicContact CD1-CG 3.97Å; F73-L260 HydrophobicContact CD2-CD1 4.3Å; F73-L260 HydrophobicContact CD2-CD2 4.39Å; F73-L260 HydrophobicContact CD2-CG 3.92Å; F73-L260 HydrophobicContact CE1-CD1 3.98Å; F73-L260 HydrophobicContact CE1-CG 4.42Å; F73-L260 HydrophobicContact CE2-CD1 4.28Å; F73-L260 HydrophobicContact CE2-CG 4.38Å; F73-L260 HydrophobicContact CG-CD1 4.17Å; F73-L260 HydrophobicContact CG-CD2 3.66Å; F73-L260 HydrophobicContact CG-CG 3.7Å; F73-L260 HydrophobicContact CZ-CD1 4.12Å |
| 74 | F | 90.9 | Very high | 88.2 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.5 | -179.9 | -100.2 | 0 | 0 | 0 | 112.4 | Y56 Y70 V71 S72 L77 V78 | Y56-F74 WeakPolarHBondContact O-CE1 3.18Å; Y70-F74 VanDerWaalsContact O-CB 3.3Å; Y70-F74 WeakPolarHBondContact O-CB 3.37Å; Y70-F74 PolarHBondContact O-N 3.48Å; V71-F74 PolarHBondContact O-N 3.2Å; S72-F74 VanDerWaalsContact C-N 3.33Å; S72-F74 PolarHBondContact O-N 2.86Å; F74-L77 PolarHBondContact O-N 3.44Å; F74-V78 HydrophobicContact CE1-CG2 4.32Å; F74-V78 HydrophobicContact CZ-CG2 4.39Å; F74-V78 WeakPolarHBondContact O-CG2 3.37Å; F74-V78 PolarHBondContact O-N 3.2Å |
| 75 | N | 90.9 | Very high | 89.1 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -36.2 | 175.4 | -78.2 | -31.1 | 0 | 0 | 0 | 112.6 | S58 V71 S72 V78 Q79 | S58-N75 PolarHBondContact N-OD1 2.77Å; S58-N75 PolarHBondContact O-ND2 3.4Å; S58-N75 PolarHBondContact O-OD1 2.94Å; V71-N75 WeakPolarHBondContact O-CB 3.34Å; V71-N75 PolarHBondContact O-N 2.84Å; V71-N75 PolarHBondContact O-ND2 2.83Å; S72-N75 PolarHBondContact O-N 3.48Å; S72-N75 VanDerWaalsContact O-N 3.14Å; N75-V78 PolarHBondContact O-N 3.21Å; N75-Q79 VanDerWaalsContact O-CG 3.3Å; N75-Q79 WeakPolarHBondContact O-CG 3.49Å; N75-Q79 PolarHBondContact O-N 2.99Å; N75-Q79 PolarHBondContact O-NE2 3.26Å |
| 76 | E | 91.3 | Very high | 89.9 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 173.4 | -73.5 | 167 | -143.9 | 0 | 0 | 111.1 | S72 F73 V78 Q79 I80 V256 H259 | S72-E76 WeakPolarHBondContact O-CB 3.5Å; S72-E76 WeakPolarHBondContact O-CG 3.34Å; S72-E76 PolarHBondContact O-N 3.48Å; F73-E76 PolarHBondContact O-N 3.12Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.26Å; E76-Q79 WeakPolarHBondContact O-CB 3.39Å; E76-Q79 PolarHBondContact O-N 3.18Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; E76-I80 WeakPolarHBondContact O-CG1 3.33Å; E76-I80 PolarHBondContact O-N 3.16Å; E76-V256 HydrophobicContact CB-CG1 3.75Å; E76-V256 HydrophobicContact CB-CG2 4.25Å; E76-H259 IonicContact OE2-CE1 3.55Å; E76-H259 IonicContact OE2-CG 2.72Å; E76-H259 IonicContact OE2-ND1 3.32Å; E76-H259 PolarHBondContact OE2-ND1 3.35Å |
| 77 | L | 92.4 | Very high | 90.5 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 172.4 | 178.7 | 62.8 | 0 | 0 | 0 | 111.7 | F73 F74 I80 V81 F253 | F73-L77 HydrophobicContact CE1-CD2 4.46Å; F73-L77 VanDerWaalsContact O-CB 3.3Å; F73-L77 WeakPolarHBondContact O-CB 3.41Å; F73-L77 PolarHBondContact O-N 3.2Å; F74-L77 PolarHBondContact O-N 3.44Å; L77-I80 PolarHBondContact O-N 3.16Å; L77-V81 WeakPolarHBondContact O-CG2 3.43Å; L77-V81 PolarHBondContact O-N 2.96Å; L77-F253 HydrophobicContact CD1-CE1 4.31Å; L77-F253 HydrophobicContact CD1-CE2 3.68Å; L77-F253 HydrophobicContact CD1-CZ 3.48Å; L77-F253 VanDerWaalsContact CD1-CZ 3.48Å |
| 78 | V | 92.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | C53 L57 F74 N75 E76 V81 Q82 | C53-V78 HydrophobicContact CB-CG1 4.11Å; C53-V78 WeakPolarHBondContact O-CG1 3.39Å; L57-V78 HydrophobicContact CD2-CB 4.25Å; L57-V78 HydrophobicContact CD2-CG1 3.73Å; L57-V78 HydrophobicContact CG-CG1 3.99Å; F74-V78 HydrophobicContact CE1-CG2 4.32Å; F74-V78 HydrophobicContact CZ-CG2 4.39Å; F74-V78 WeakPolarHBondContact O-CG2 3.37Å; F74-V78 PolarHBondContact O-N 3.2Å; N75-V78 PolarHBondContact O-N 3.21Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.26Å; V78-V81 PolarHBondContact O-N 3.33Å; V78-Q82 PolarHBondContact O-N 3.4Å |
| 79 | Q | 92.8 | Very high | 91.5 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.4 | -72.8 | 166.9 | 51.5 | 0 | 0 | 112.3 | N75 E76 V81 Q82 H83 | N75-Q79 VanDerWaalsContact O-CG 3.3Å; N75-Q79 WeakPolarHBondContact O-CG 3.49Å; N75-Q79 PolarHBondContact O-N 2.99Å; N75-Q79 PolarHBondContact O-NE2 3.26Å; E76-Q79 WeakPolarHBondContact O-CB 3.39Å; E76-Q79 PolarHBondContact O-N 3.18Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 3.31Å; Q79-Q82 CarbonylContact O-C 3.52Å; Q79-Q82 WeakPolarHBondContact O-CA 3.41Å; Q79-Q82 WeakPolarHBondContact O-CB 3.29Å; Q79-Q82 PolarHBondContact O-N 3.19Å; Q79-H83 PolarHBondContact O-CD2 3.4Å; Q79-H83 PolarHBondContact O-N 3.07Å |
| 80 | I | 93.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.9 | -66.3 | 157.8 | 0 | 0 | 0 | 110.8 | E76 L77 Q82 H83 I84 V249 F253 V256 | E76-I80 WeakPolarHBondContact O-CG1 3.33Å; E76-I80 PolarHBondContact O-N 3.16Å; L77-I80 PolarHBondContact O-N 3.16Å; I80-Q82 VanDerWaalsContact C-N 3.28Å; I80-Q82 PolarHBondContact O-N 3.04Å; I80-H83 WeakPolarHBondContact O-CA 3.5Å; I80-H83 WeakPolarHBondContact O-CB 3.34Å; I80-H83 PolarHBondContact O-N 2.57Å; I80-H83 VanDerWaalsContact O-N 3.07Å; I80-I84 WeakPolarHBondContact O-CG1 3.47Å; I80-I84 PolarHBondContact O-N 2.95Å; I80-V249 HydrophobicContact CG2-CG1 3.79Å; I80-F253 HydrophobicContact CG2-CB 3.95Å; I80-F253 HydrophobicContact CG2-CD2 3.51Å; I80-F253 HydrophobicContact CG2-CE2 4.38Å; I80-F253 HydrophobicContact CG2-CG 4.09Å; I80-V256 HydrophobicContact CD1-CB 3.58Å; I80-V256 HydrophobicContact CD1-CG1 3.94Å; I80-V256 HydrophobicContact CD1-CG2 3.49Å; I80-V256 VanDerWaalsContact CD1-CG2 3.49Å |
| 81 | V | 93.6 | Very high | 91.6 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | L77 V78 Q79 I84 V85 | L77-V81 WeakPolarHBondContact O-CG2 3.43Å; L77-V81 PolarHBondContact O-N 2.96Å; V78-V81 PolarHBondContact O-N 3.33Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 3.31Å; V81-I84 WeakPolarHBondContact O-CB 3.48Å; V81-I84 PolarHBondContact O-N 3.42Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 3.25Å; V81-V85 VanDerWaalsContact O-N 3.1Å |
| 82 | Q | 93.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | 170.6 | -175.1 | 57.9 | 52.4 | 0 | 0 | 112.2 | C53 V78 Q79 I80 V85 D86 | C53-Q82 HydrophobicContact CB-CB 4.17Å; C53-Q82 VanDerWaalsContact CB-OE1 3.32Å; V78-Q82 PolarHBondContact O-N 3.4Å; Q79-Q82 CarbonylContact O-C 3.52Å; Q79-Q82 WeakPolarHBondContact O-CA 3.41Å; Q79-Q82 WeakPolarHBondContact O-CB 3.29Å; Q79-Q82 PolarHBondContact O-N 3.19Å; I80-Q82 VanDerWaalsContact C-N 3.28Å; I80-Q82 PolarHBondContact O-N 3.04Å; Q82-V85 PolarHBondContact O-N 3.24Å; Q82-D86 VanDerWaalsContact NE2-CG 3.34Å; Q82-D86 PolarHBondContact NE2-OD2 3.45Å; Q82-D86 PolarHBondContact O-N 2.74Å |
| 83 | H | 94.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 38% | 0.384 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64 | -41.2 | 173.9 | -64.3 | -177 | 0 | 0 | 0 | 112.1 | Q79 I80 V85 D86 A87 V249 E252 | Q79-H83 PolarHBondContact O-CD2 3.4Å; Q79-H83 PolarHBondContact O-N 3.07Å; I80-H83 WeakPolarHBondContact O-CA 3.5Å; I80-H83 WeakPolarHBondContact O-CB 3.34Å; I80-H83 PolarHBondContact O-N 2.57Å; I80-H83 VanDerWaalsContact O-N 3.07Å; H83-V85 VanDerWaalsContact C-N 3.3Å; H83-V85 PolarHBondContact O-N 3.5Å; H83-D86 PolarHBondContact O-N 3.05Å; H83-A87 WeakPolarHBondContact O-CB 3.44Å; H83-A87 PolarHBondContact O-N 3.41Å; H83-V249 HydrophobicContact CB-CG1 3.85Å; H83-V249 HydrophobicContact CB-CG2 3.82Å; H83-E252 IonicContact CE1-OE2 2.61Å; H83-E252 IonicContact CG-OE2 3.55Å; H83-E252 IonicContact ND1-OE2 3.1Å; H83-E252 PolarHBondContact ND1-OE2 3.28Å |
| 84 | I | 93.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 35.7 Ų | 35.7 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 171.1 | -67.4 | 176 | 0 | 0 | 0 | 110 | I80 V81 A87 E88 M246 V249 | I80-I84 WeakPolarHBondContact O-CG1 3.47Å; I80-I84 PolarHBondContact O-N 2.95Å; V81-I84 WeakPolarHBondContact O-CB 3.48Å; V81-I84 PolarHBondContact O-N 3.42Å; I84-A87 WeakPolarHBondContact O-CB 3.26Å; I84-A87 PolarHBondContact O-N 3.07Å; I84-E88 PolarHBondContact O-N 3.22Å; I84-M246 HydrophobicContact CB-SD 4.24Å; I84-M246 HydrophobicContact CG1-SD 4.04Å; I84-M246 HydrophobicContact CG2-CE 3.93Å; I84-M246 HydrophobicContact CG2-SD 3.87Å; I84-V249 HydrophobicContact CG1-CG1 3.59Å |
| 85 | V | 93.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | -176 | 171 | 0 | 0 | 0 | 0 | 112.1 | Y46 Q49 K50 V81 Q82 H83 E88 N89 | Y46-V85 HydrophobicContact CD2-CG1 3.49Å; Y46-V85 VanDerWaalsContact CD2-CG1 3.49Å; Y46-V85 WeakPolarHBondContact CD2-O 3.49Å; Y46-V85 HydrophobicContact CE2-CG1 3.68Å; Q49-V85 HydrophobicContact CB-CB 4.35Å; Q49-V85 HydrophobicContact CB-CG1 3.7Å; Q49-V85 HydrophobicContact CB-CG2 3.6Å; Q49-V85 HydrophobicContact CG-CG2 4.33Å; K50-V85 HydrophobicContact CB-CG1 4.36Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 3.25Å; V81-V85 VanDerWaalsContact O-N 3.1Å; Q82-V85 PolarHBondContact O-N 3.24Å; H83-V85 VanDerWaalsContact C-N 3.3Å; H83-V85 PolarHBondContact O-N 3.5Å; V85-E88 PolarHBondContact O-N 2.9Å; V85-N89 PolarHBondContact O-N 3.1Å; V85-N89 VanDerWaalsContact O-N 3.1Å |
| 86 | D | 92.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 32% | 0.316 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -73.6 | -23.8 | 174.5 | -75.9 | -47.3 | 0 | 0 | 0 | 113.1 | Y46 Q82 H83 | Y46-D86 WeakPolarHBondContact CE2-OD1 3.36Å; Y46-D86 VanDerWaalsContact CZ-OD1 3.28Å; Y46-D86 PolarHBondContact OH-OD1 2.93Å; Q82-D86 VanDerWaalsContact NE2-CG 3.34Å; Q82-D86 PolarHBondContact NE2-OD2 3.45Å; Q82-D86 PolarHBondContact O-N 2.74Å; H83-D86 PolarHBondContact O-N 3.05Å |
| 87 | A | 92.2 | Very high | 91 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -45.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H83 I84 N89 L90 R245 M246 | H83-A87 WeakPolarHBondContact O-CB 3.44Å; H83-A87 PolarHBondContact O-N 3.41Å; I84-A87 WeakPolarHBondContact O-CB 3.26Å; I84-A87 PolarHBondContact O-N 3.07Å; A87-N89 VanDerWaalsContact C-N 3.26Å; A87-N89 PolarHBondContact O-N 3.03Å; A87-L90 WeakPolarHBondContact O-CB 3.23Å; A87-L90 PolarHBondContact O-N 3.06Å; A87-R245 HydrophobicContact CB-CB 4.12Å; A87-M246 HydrophobicContact CB-CE 3.96Å |
| 88 | E | 89 | Confident | 90.6 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -34.7 | 173.8 | -71.8 | -171.5 | 122.4 | 0 | 0 | 112.4 | Q49 I84 V85 L90 I91 M246 R437 | Q49-E88 PolarHBondContact NE2-OE2 3.17Å; Q49-E88 PolarHBondContact OE1-OE2 3.45Å; I84-E88 PolarHBondContact O-N 3.22Å; V85-E88 PolarHBondContact O-N 2.9Å; E88-L90 PolarHBondContact O-N 3.29Å; E88-L90 VanDerWaalsContact O-N 3.13Å; E88-I91 WeakPolarHBondContact O-CB 3.42Å; E88-I91 PolarHBondContact O-N 3.42Å; E88-M246 HydrophobicContact CG-CE 3.89Å; E88-R437 IonicContact OE1-CZ 3.89Å; E88-R437 IonicContact OE1-NH1 2.68Å; E88-R437 PolarHBondContact OE1-NH1 3.14Å; E88-R437 IonicContact OE2-CZ 3.54Å; E88-R437 IonicContact OE2-NH1 3.37Å; E88-R437 PolarHBondContact OE2-NH1 3.12Å; E88-R437 IonicContact OE2-NH2 2.77Å |
| 89 | N | 92.1 | Very high | 90 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.6 | -27.6 | 179.8 | -165.8 | 22.8 | 0 | 0 | 0 | 113.7 | Y46 V85 A87 I91 S92 C93 | Y46-N89 HydrophobicContact CD2-CB 3.53Å; Y46-N89 HydrophobicContact CE2-CB 3.57Å; Y46-N89 HydrophobicContact CG-CB 4.07Å; Y46-N89 VanDerWaalsContact CZ-ND2 3.28Å; V85-N89 PolarHBondContact O-N 3.1Å; V85-N89 VanDerWaalsContact O-N 3.1Å; A87-N89 VanDerWaalsContact C-N 3.26Å; A87-N89 PolarHBondContact O-N 3.03Å; N89-I91 PolarHBondContact O-N 3.18Å; N89-S92 WeakPolarHBondContact O-CB 3.49Å; N89-S92 PolarHBondContact O-N 3.36Å; N89-C93 PolarHBondContact O-N 2.98Å |
| 90 | L | 89.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -31.2 | 176.4 | -172.7 | 69.1 | 0 | 0 | 0 | 112.1 | A87 E88 S94 V241 A242 | A87-L90 WeakPolarHBondContact O-CB 3.23Å; A87-L90 PolarHBondContact O-N 3.06Å; E88-L90 PolarHBondContact O-N 3.29Å; E88-L90 VanDerWaalsContact O-N 3.13Å; L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.34Å; L90-S94 PolarHBondContact O-N 2.99Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.37Å; L90-V241 HydrophobicContact CD2-CB 4.1Å; L90-V241 HydrophobicContact CD2-CG1 3.72Å; L90-A242 HydrophobicContact CB-CB 4.5Å; L90-A242 HydrophobicContact CD2-CB 4.29Å |
| 91 | I | 87.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 18% | 0.179 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.5 | -47.2 | 174.1 | -58.6 | 166.5 | 0 | 0 | 0 | 109.7 | F38 E88 N89 C93 S94 F95 L239 A242 | F38-I91 HydrophobicContact CE1-CG2 4.08Å; E88-I91 WeakPolarHBondContact O-CB 3.42Å; E88-I91 PolarHBondContact O-N 3.42Å; N89-I91 PolarHBondContact O-N 3.18Å; I91-C93 PolarHBondContact O-N 3.45Å; I91-S94 PolarHBondContact O-N 3.4Å; I91-S94 PolarHBondContact O-OG 3.47Å; I91-S94 VanDerWaalsContact O-OG 3.09Å; I91-F95 HydrophobicContact CG2-CD2 4.01Å; I91-F95 HydrophobicContact CG2-CE2 3.89Å; I91-F95 WeakPolarHBondContact O-CD2 3.2Å; I91-F95 PolarHBondContact O-N 3.16Å; I91-F95 VanDerWaalsContact O-N 3.16Å; I91-L239 HydrophobicContact CD1-CD1 3.91Å; I91-L239 HydrophobicContact CG1-CD1 4.32Å; I91-A242 HydrophobicContact CD1-CB 4.14Å; I91-A242 HydrophobicContact CG1-CB 3.86Å |
| 92 | S | 86.2 | Confident | 87.6 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.8 | -52.1 | 177.6 | -172.3 | 0 | 0 | 0 | 0 | 112 | A39 K43 N89 S94 E96 | A39-S92 PolarHBondContact O-OG 3.14Å; K43-S92 VanDerWaalsContact CA-OG 3.3Å; K43-S92 WeakPolarHBondContact CA-OG 3.42Å; K43-S92 WeakPolarHBondContact CB-OG 3.36Å; K43-S92 PolarHBondContact N-OG 3.11Å; K43-S92 VanDerWaalsContact N-OG 3.16Å; N89-S92 WeakPolarHBondContact O-CB 3.49Å; N89-S92 PolarHBondContact O-N 3.36Å; S92-S94 PolarHBondContact O-N 2.87Å; S92-E96 WeakPolarHBondContact O-CB 3.43Å; S92-E96 PolarHBondContact O-N 3.35Å |
| 93 | C | 88.2 | Confident | 87.3 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 32% | 0.324 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.5 | -38.9 | -177.7 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | N89 I91 E96 I97 | N89-C93 PolarHBondContact O-N 2.98Å; I91-C93 PolarHBondContact O-N 3.45Å; C93-E96 PolarHBondContact O-N 2.84Å; C93-I97 WeakPolarHBondContact O-CB 3.39Å; C93-I97 WeakPolarHBondContact O-CD1 3.34Å; C93-I97 WeakPolarHBondContact O-CG1 3.33Å; C93-I97 PolarHBondContact O-N 3.37Å |
| 94 | S | 88.7 | Confident | 87 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -41.4 | -179.3 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | L90 I91 S92 H98 | L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.34Å; L90-S94 PolarHBondContact O-N 2.99Å; L90-S94 VanDerWaalsContact O-N 3.11Å; L90-S94 PolarHBondContact O-OG 3.37Å; I91-S94 PolarHBondContact O-N 3.4Å; I91-S94 PolarHBondContact O-OG 3.47Å; I91-S94 VanDerWaalsContact O-OG 3.09Å; S92-S94 PolarHBondContact O-N 2.87Å; S94-H98 WeakPolarHBondContact O-CB 3.49Å; S94-H98 PolarHBondContact O-CD2 3.26Å; S94-H98 PolarHBondContact O-N 3.19Å |
| 95 | F | 90.3 | Very high | 86.9 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 174.7 | -78.7 | -118.2 | 0 | 0 | 0 | 111.3 | L35 F38 A39 I91 A99 L235 | L35-F95 HydrophobicContact CB-CD1 4.42Å; L35-F95 HydrophobicContact CD2-CD1 3.69Å; L35-F95 HydrophobicContact CD2-CE1 3.53Å; F38-F95 AromaticContact CD1-CD1 3.43Å; F38-F95 HydrophobicContact CD1-CD1 3.43Å; F38-F95 VanDerWaalsContact CD1-CD1 3.43Å; F38-F95 AromaticContact CD1-CE1 3.61Å; F38-F95 HydrophobicContact CD1-CE1 3.61Å; F38-F95 AromaticContact CD1-CG 4Å; F38-F95 HydrophobicContact CD1-CG 4Å; F38-F95 HydrophobicContact CD1-CZ 4.3Å; F38-F95 AromaticContact CE1-CD1 3.83Å; F38-F95 HydrophobicContact CE1-CD1 3.83Å; F38-F95 HydrophobicContact CE1-CD2 4.38Å; F38-F95 AromaticContact CE1-CE1 3.66Å; F38-F95 HydrophobicContact CE1-CE1 3.66Å; F38-F95 HydrophobicContact CE1-CE2 4.25Å; F38-F95 HydrophobicContact CE1-CG 4.19Å; F38-F95 AromaticContact CE1-CZ 3.89Å; F38-F95 HydrophobicContact CE1-CZ 3.89Å; F38-F95 HydrophobicContact CG-CD1 4.47Å; A39-F95 HydrophobicContact CB-CB 3.79Å; I91-F95 HydrophobicContact CG2-CD2 4.01Å; I91-F95 HydrophobicContact CG2-CE2 3.89Å; I91-F95 WeakPolarHBondContact O-CD2 3.2Å; I91-F95 PolarHBondContact O-N 3.16Å; I91-F95 VanDerWaalsContact O-N 3.16Å; F95-A99 WeakPolarHBondContact O-CB 3.38Å; F95-A99 PolarHBondContact O-N 3.21Å; F95-L235 HydrophobicContact CD1-CD1 4.29Å; F95-L235 HydrophobicContact CD1-CD2 4.44Å; F95-L235 HydrophobicContact CD2-CD2 3.71Å; F95-L235 HydrophobicContact CE1-CD1 4.03Å; F95-L235 HydrophobicContact CE2-CB 4.23Å; F95-L235 HydrophobicContact CE2-CD2 3.9Å; F95-L235 HydrophobicContact CE2-CG 4.42Å; F95-L235 HydrophobicContact CG-CD2 4.01Å; F95-L235 HydrophobicContact CZ-CB 4.27Å; F95-L235 HydrophobicContact CZ-CD1 4.15Å; F95-L235 HydrophobicContact CZ-CD2 4.36Å; F95-L235 HydrophobicContact CZ-CG 4.49Å |
| 96 | E | 87.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177 | -173 | 170.3 | -145.3 | 0 | 0 | 112.4 | A39 K43 S92 C93 G100 | A39-E96 HydrophobicContact CB-CB 4.09Å; K43-E96 IonicContact NZ-OE1 3.8Å; K43-E96 PolarHBondContact NZ-OE1 3.47Å; K43-E96 IonicContact NZ-OE2 2.73Å; K43-E96 PolarHBondContact NZ-OE2 3.44Å; S92-E96 WeakPolarHBondContact O-CB 3.43Å; S92-E96 PolarHBondContact O-N 3.35Å; C93-E96 PolarHBondContact O-N 2.84Å; E96-G100 WeakPolarHBondContact O-CA 3.41Å; E96-G100 PolarHBondContact O-N 3.3Å |
| 97 | I | 87.1 | Confident | 87 | Confident | 107 Ų | 107 | 43.2 Ų | 43.2 | 55% | 0.549 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -53.7 | 179.1 | -70.4 | 165.2 | 0 | 0 | 0 | 111.2 | C93 | C93-I97 WeakPolarHBondContact O-CB 3.39Å; C93-I97 WeakPolarHBondContact O-CD1 3.34Å; C93-I97 WeakPolarHBondContact O-CG1 3.33Å; C93-I97 PolarHBondContact O-N 3.37Å |
| 98 | H | 83.7 | Confident | 87.1 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -81.5 | -19.4 | -170.1 | -65.5 | -62.2 | 0 | 0 | 0 | 114 | S94 L231 I234 L235 | S94-H98 WeakPolarHBondContact O-CB 3.49Å; S94-H98 PolarHBondContact O-CD2 3.26Å; S94-H98 PolarHBondContact O-N 3.19Å; H98-L231 HydrophobicContact CB-CD1 3.79Å; H98-I234 WeakPolarHBondContact NE2-CG2 3.48Å; H98-L235 HydrophobicContact CB-CD2 4.45Å |
| 99 | A | 80.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -99.3 | -26.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y32 L35 I36 F95 | Y32-A99 HydrophobicContact CD1-CB 4.09Å; L35-A99 HydrophobicContact CB-CB 3.58Å; L35-A99 HydrophobicContact CD1-CB 4.44Å; I36-A99 WeakPolarHBondContact CD1-O 3.27Å; I36-A99 HydrophobicContact CG1-CB 3.87Å; F95-A99 WeakPolarHBondContact O-CB 3.38Å; F95-A99 PolarHBondContact O-N 3.21Å |
| 100 | G | 75.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.2 | -66.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | E96 | E96-G100 WeakPolarHBondContact O-CA 3.41Å; E96-G100 PolarHBondContact O-N 3.3Å |
| 101 | S | 71.2 | Confident | 88 | Confident | 97 Ų | 97 | 50.3 Ų | 50.3 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -46.5 | -173.9 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | G103 | S101-G103 PolarHBondContact O-N 2.87Š|
| 102 | E | 82.6 | Confident | 88.5 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | -177.7 | -153.7 | -172.5 | 152.3 | 0 | 0 | 111.5 | K104 S105 I106 | E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 3.07Å; E102-S105 WeakPolarHBondContact O-CB 3.42Å; E102-S105 PolarHBondContact O-N 3.1Å; E102-S105 VanDerWaalsContact O-N 3.09Å; E102-I106 HydrophobicContact CB-CD1 4.28Å; E102-I106 HydrophobicContact CG-CD1 3.74Å; E102-I106 HydrophobicContact CG-CG1 4.47Å; E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 3.47Å |
| 103 | G | 86.6 | Confident | 89 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.6 | -35.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S101 I107 | S101-G103 PolarHBondContact O-N 2.87Å; G103-I107 WeakPolarHBondContact O-CG1 3.3Å; G103-I107 PolarHBondContact O-N 3.15Å |
| 104 | K | 88.1 | Confident | 89.4 | Confident | 143 Ų | 143 | 54.1 Ų | 54.1 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.7 | -49.1 | 175.5 | -68 | -175.2 | -180 | -178.7 | 0 | 111.5 | E102 I106 I107 E108 | E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 3.07Å; K104-I106 VanDerWaalsContact C-N 3.27Å; K104-I106 PolarHBondContact O-N 3.45Å; K104-I107 PolarHBondContact O-N 3.13Å; K104-E108 WeakPolarHBondContact O-CB 3.21Å; K104-E108 WeakPolarHBondContact O-CG 3.3Å; K104-E108 PolarHBondContact O-N 3.3Å |
| 105 | S | 91.3 | Very high | 89.9 | Confident | 69 Ų | 69 | 61 Ų | 61 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | E102 D109 | E102-S105 WeakPolarHBondContact O-CB 3.42Å; E102-S105 PolarHBondContact O-N 3.1Å; E102-S105 VanDerWaalsContact O-N 3.09Å; S105-D109 PolarHBondContact O-N 3.35Å |
| 106 | I | 93 | Very high | 90.2 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -53.9 | 174.9 | -74.3 | 161.8 | 0 | 0 | 0 | 111.6 | Y32 E102 K104 E108 D109 E110 | Y32-I106 HydrophobicContact CE2-CG2 4.12Å; Y32-I106 WeakPolarHBondContact OH-CD1 3.21Å; E102-I106 HydrophobicContact CB-CD1 4.28Å; E102-I106 HydrophobicContact CG-CD1 3.74Å; E102-I106 HydrophobicContact CG-CG1 4.47Å; E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 3.47Å; K104-I106 VanDerWaalsContact C-N 3.27Å; K104-I106 PolarHBondContact O-N 3.45Å; I106-E108 PolarHBondContact O-N 3.26Å; I106-D109 PolarHBondContact O-N 3.05Å; I106-E110 PolarHBondContact O-N 3.42Å |
| 107 | I | 94.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | -178.6 | -66.4 | -63.6 | 0 | 0 | 0 | 111.3 | I25 H28 E29 Y32 G103 K104 R111 | I25-I107 HydrophobicContact CG2-CG2 4.46Å; H28-I107 HydrophobicContact CB-CD1 3.75Å; H28-I107 WeakPolarHBondContact ND1-CD1 3.42Å; E29-I107 HydrophobicContact CB-CD1 4.18Å; E29-I107 HydrophobicContact CB-CG1 4.3Å; E29-I107 HydrophobicContact CB-CG2 4.02Å; E29-I107 HydrophobicContact CG-CG2 4.05Å; E29-I107 WeakPolarHBondContact OE2-CG2 3.41Å; Y32-I107 HydrophobicContact CD2-CD1 4.07Å; Y32-I107 HydrophobicContact CD2-CG1 3.88Å; Y32-I107 HydrophobicContact CE2-CD1 4.36Å; Y32-I107 HydrophobicContact CE2-CG1 4.32Å; G103-I107 WeakPolarHBondContact O-CG1 3.3Å; G103-I107 PolarHBondContact O-N 3.15Å; K104-I107 PolarHBondContact O-N 3.13Å; I107-R111 WeakPolarHBondContact O-CB 3.2Å; I107-R111 VanDerWaalsContact O-CG 3.27Å; I107-R111 WeakPolarHBondContact O-CG 3.47Å; I107-R111 PolarHBondContact O-N 2.98Å |
| 108 | E | 94.7 | Very high | 91.2 | Very high | 109 Ų | 109 | 63.8 Ų | 63.8 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172 | -76.5 | -178.2 | -156.9 | 0 | 0 | 112.2 | K104 I106 R111 R112 | K104-E108 WeakPolarHBondContact O-CB 3.21Å; K104-E108 WeakPolarHBondContact O-CG 3.3Å; K104-E108 PolarHBondContact O-N 3.3Å; I106-E108 PolarHBondContact O-N 3.26Å; E108-R111 PolarHBondContact O-N 3.14Å; E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.01Å; E108-R112 IonicContact OE2-NH1 2.71Å; E108-R112 PolarHBondContact OE2-NH1 3.37Å |
| 109 | D | 95.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 179 | -155.2 | 68.7 | 0 | 0 | 0 | 112.4 | S105 I106 R111 R112 Q113 | S105-D109 PolarHBondContact O-N 3.35Å; I106-D109 PolarHBondContact O-N 3.05Å; D109-R111 PolarHBondContact O-N 3.22Å; D109-R112 VanDerWaalsContact CB-NH2 3.27Å; D109-R112 CarbonylContact O-C 3.54Å; D109-R112 WeakPolarHBondContact O-CA 3.36Å; D109-R112 WeakPolarHBondContact O-CB 3.18Å; D109-R112 PolarHBondContact O-N 3.2Å; D109-R112 IonicContact OD1-CZ 2.71Å; D109-R112 VanDerWaalsContact OD1-CZ 3.28Å; D109-R112 IonicContact OD1-NE 3.16Å; D109-R112 PolarHBondContact OD1-NE 3.37Å; D109-R112 IonicContact OD1-NH2 2.7Å; D109-R112 PolarHBondContact OD1-NH2 3.04Å; D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 3.01Å; D109-Q113 PolarHBondContact OD2-NE2 2.94Å |
| 110 | E | 96.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.065 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 174.7 | -156.3 | -172.2 | 139.9 | 0 | 0 | 111 | I25 H28 I106 Q113 F114 R224 | I25-E110 HydrophobicContact CG1-CG 4.15Å; I25-E110 WeakPolarHBondContact CG1-OE1 3.32Å; H28-E110 IonicContact CE1-OE2 2.7Å; H28-E110 IonicContact CG-OE2 2.65Å; H28-E110 IonicContact ND1-OE2 2.72Å; H28-E110 PolarHBondContact ND1-OE2 2.69Å; I106-E110 PolarHBondContact O-N 3.42Å; E110-Q113 PolarHBondContact O-N 2.94Å; E110-F114 VanDerWaalsContact O-CB 3.24Å; E110-F114 WeakPolarHBondContact O-CB 3.41Å; E110-F114 PolarHBondContact O-N 3.25Å; E110-R224 IonicContact OE1-CZ 3.7Å; E110-R224 IonicContact OE1-NE 2.72Å; E110-R224 PolarHBondContact OE1-NE 3.09Å; E110-R224 IonicContact OE1-NH2 2.73Å; E110-R224 PolarHBondContact OE1-NH2 3.14Å |
| 111 | R | 97.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 68.7 Ų | 68.7 | 25% | 0.253 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 172.2 | -72.4 | -178.4 | -178.5 | -66.8 | 9.2 | 113 | I25 N26 E29 I107 E108 D109 K115 | I25-R111 HydrophobicContact CD1-CG 4.49Å; I25-R111 HydrophobicContact CG2-CG 3.61Å; I25-R111 VanDerWaalsContact CG2-CZ 3.47Å; N26-R111 PolarHBondContact OD1-NH1 3.47Å; N26-R111 VanDerWaalsContact OD1-NH1 3.17Å; N26-R111 PolarHBondContact OD1-NH2 2.97Å; E29-R111 IonicContact OE2-CZ 3.86Å; E29-R111 IonicContact OE2-NE 3.97Å; E29-R111 PolarHBondContact OE2-NE 2.81Å; E29-R111 VanDerWaalsContact OE2-NE 3.17Å; E29-R111 IonicContact OE2-NH2 2.7Å; E29-R111 PolarHBondContact OE2-NH2 3.32Å; I107-R111 WeakPolarHBondContact O-CB 3.2Å; I107-R111 VanDerWaalsContact O-CG 3.27Å; I107-R111 WeakPolarHBondContact O-CG 3.47Å; I107-R111 PolarHBondContact O-N 2.98Å; E108-R111 PolarHBondContact O-N 3.14Å; D109-R111 PolarHBondContact O-N 3.22Å; R111-K115 WeakPolarHBondContact O-CB 3.26Å; R111-K115 WeakPolarHBondContact O-CD 3.48Å; R111-K115 WeakPolarHBondContact O-CG 3.45Å; R111-K115 PolarHBondContact O-N 3.33Å |
| 112 | R | 97.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.2 | -47.9 | 172.5 | -73 | -177.7 | -67.3 | -103.6 | 5.9 | 111.3 | E108 D109 K115 R116 | E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.01Å; E108-R112 IonicContact OE2-NH1 2.71Å; E108-R112 PolarHBondContact OE2-NH1 3.37Å; D109-R112 VanDerWaalsContact CB-NH2 3.27Å; D109-R112 CarbonylContact O-C 3.54Å; D109-R112 WeakPolarHBondContact O-CA 3.36Å; D109-R112 WeakPolarHBondContact O-CB 3.18Å; D109-R112 PolarHBondContact O-N 3.2Å; D109-R112 IonicContact OD1-CZ 2.71Å; D109-R112 VanDerWaalsContact OD1-CZ 3.28Å; D109-R112 IonicContact OD1-NE 3.16Å; D109-R112 PolarHBondContact OD1-NE 3.37Å; D109-R112 IonicContact OD1-NH2 2.7Å; D109-R112 PolarHBondContact OD1-NH2 3.04Å; R112-K115 PolarHBondContact O-N 3.03Å; R112-R116 WeakPolarHBondContact O-CG 3.47Å; R112-R116 PolarHBondContact O-N 3.36Å; R112-R116 VanDerWaalsContact O-N 3.15Å |
| 113 | Q | 97.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 179.4 | -66.1 | -162.3 | 59.9 | 0 | 0 | 111.5 | D109 E110 K115 R116 W117 L220 E223 | D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 3.01Å; D109-Q113 PolarHBondContact OD2-NE2 2.94Å; E110-Q113 PolarHBondContact O-N 2.94Å; Q113-K115 PolarHBondContact O-N 3.25Å; Q113-R116 WeakPolarHBondContact O-CB 3.34Å; Q113-R116 PolarHBondContact O-N 2.88Å; Q113-R116 VanDerWaalsContact O-N 3.16Å; Q113-W117 PolarHBondContact O-N 3.16Å; Q113-L220 HydrophobicContact CB-CD2 3.8Å; Q113-L220 HydrophobicContact CG-CD2 4.47Å; Q113-E223 PolarHBondContact NE2-OE2 3.15Å |
| 114 | F | 97.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 174.1 | 171.8 | -112.9 | 0 | 0 | 0 | 112.9 | I18 H21 D22 I25 E110 R116 W117 K118 | I18-F114 HydrophobicContact CG2-CE2 4.12Å; I18-F114 HydrophobicContact CG2-CZ 4Å; H21-F114 HydrophobicContact CB-CD2 3.87Å; H21-F114 HydrophobicContact CB-CE2 3.72Å; D22-F114 HydrophobicContact CB-CE1 4.21Å; D22-F114 HydrophobicContact CB-CZ 3.81Å; D22-F114 WeakPolarHBondContact OD1-CE1 3.41Å; I25-F114 HydrophobicContact CD1-CB 3.65Å; I25-F114 HydrophobicContact CD1-CD1 3.67Å; I25-F114 HydrophobicContact CD1-CD2 4.21Å; I25-F114 HydrophobicContact CD1-CE1 4.33Å; I25-F114 HydrophobicContact CD1-CG 3.59Å; E110-F114 VanDerWaalsContact O-CB 3.24Å; E110-F114 WeakPolarHBondContact O-CB 3.41Å; E110-F114 PolarHBondContact O-N 3.25Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.35Å; F114-W117 AromaticContact CD2-CE3 3.94Å; F114-W117 HydrophobicContact CD2-CE3 3.94Å; F114-W117 HydrophobicContact CD2-CZ3 4.11Å; F114-W117 HydrophobicContact CE2-CE3 4.25Å; F114-W117 HydrophobicContact CE2-CZ3 4.02Å; F114-W117 PolarHBondContact O-N 2.68Å; F114-K118 HydrophobicContact CE1-CD 4.26Å; F114-K118 HydrophobicContact CZ-CD 4.07Å; F114-K118 WeakPolarHBondContact O-CB 3.48Å; F114-K118 PolarHBondContact O-N 2.67Å |
| 115 | K | 97.9 | Very high | 96.1 | Very high | 149 Ų | 149 | 64.5 Ų | 64.5 | 65% | 0.648 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -39.2 | 176 | -79.1 | 171.3 | -178.4 | 177.2 | 0 | 112.5 | R111 R112 Q113 S119 | R111-K115 WeakPolarHBondContact O-CB 3.26Å; R111-K115 WeakPolarHBondContact O-CD 3.48Å; R111-K115 WeakPolarHBondContact O-CG 3.45Å; R111-K115 PolarHBondContact O-N 3.33Å; R112-K115 PolarHBondContact O-N 3.03Å; Q113-K115 PolarHBondContact O-N 3.25Å; K115-S119 PolarHBondContact O-N 3.48Å; K115-S119 VanDerWaalsContact O-N 3.16Å |
| 116 | R | 97.5 | Very high | 96.3 | Very high | 173 Ų | 173 | 65.6 Ų | 65.6 | 65% | 0.653 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.6 | -54.4 | 174.7 | -68.9 | 173 | 176.4 | 172.7 | -1 | 111.1 | R112 Q113 F114 K118 S119 E120 | R112-R116 WeakPolarHBondContact O-CG 3.47Å; R112-R116 PolarHBondContact O-N 3.36Å; R112-R116 VanDerWaalsContact O-N 3.15Å; Q113-R116 WeakPolarHBondContact O-CB 3.34Å; Q113-R116 PolarHBondContact O-N 2.88Å; Q113-R116 VanDerWaalsContact O-N 3.16Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.35Å; R116-K118 VanDerWaalsContact C-N 3.27Å; R116-K118 PolarHBondContact O-N 3.16Å; R116-S119 PolarHBondContact O-N 2.75Å; R116-S119 PolarHBondContact O-OG 2.97Å; R116-E120 PolarHBondContact O-N 3.32Å; R116-E120 VanDerWaalsContact O-N 3.1Å |
| 117 | W | 97.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 3% | 0.034 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -36.2 | 179.5 | 172.2 | 77.5 | 0 | 0 | 0 | 113.5 | F17 I18 H21 Q113 F114 R121 W213 V216 L220 | F17-W117 AromaticContact CD1-CH2 3.9Å; F17-W117 HydrophobicContact CD1-CH2 3.9Å; F17-W117 AromaticContact CD1-CZ2 3.8Å; F17-W117 HydrophobicContact CD1-CZ2 3.8Å; F17-W117 HydrophobicContact CE1-CH2 4.06Å; F17-W117 AromaticContact CE1-CZ2 3.63Å; F17-W117 HydrophobicContact CE1-CZ2 3.63Å; F17-W117 HydrophobicContact CG-CH2 4.27Å; F17-W117 HydrophobicContact CZ-CZ2 4.29Å; I18-W117 HydrophobicContact CB-CZ3 4.42Å; I18-W117 HydrophobicContact CG1-CH2 3.79Å; I18-W117 HydrophobicContact CG1-CZ3 3.68Å; H21-W117 HydrophobicContact CB-CZ3 4.37Å; H21-W117 AromaticContact CD2-CH2 3.32Å; H21-W117 WeakPolarHBondContact CD2-CH2 3.17Å; H21-W117 AromaticContact CD2-CZ3 3.48Å; H21-W117 VanDerWaalsContact CD2-CZ3 3.48Å; H21-W117 WeakPolarHBondContact CD2-CZ3 3.24Å; H21-W117 AromaticContact NE2-CH2 3.83Å; Q113-W117 PolarHBondContact O-N 3.16Å; F114-W117 AromaticContact CD2-CE3 3.94Å; F114-W117 HydrophobicContact CD2-CE3 3.94Å; F114-W117 HydrophobicContact CD2-CZ3 4.11Å; F114-W117 HydrophobicContact CE2-CE3 4.25Å; F114-W117 HydrophobicContact CE2-CZ3 4.02Å; F114-W117 PolarHBondContact O-N 2.68Å; W117-R121 PolarHBondContact O-N 3.45Å; W117-W213 AromaticContact CD1-CD1 3.78Å; W117-W213 AromaticContact CD1-NE1 3.59Å; W117-W213 HydrophobicContact CD2-CZ2 4.38Å; W117-W213 AromaticContact CD2-NE1 3.91Å; W117-W213 AromaticContact CE2-CE2 3.48Å; W117-W213 VanDerWaalsContact CE2-CE2 3.48Å; W117-W213 AromaticContact CE2-CZ2 3.61Å; W117-W213 AromaticContact CE2-NE1 3.42Å; W117-W213 AromaticContact CH2-CH2 3.9Å; W117-W213 HydrophobicContact CH2-CH2 3.9Å; W117-W213 AromaticContact CH2-CZ2 3.48Å; W117-W213 HydrophobicContact CH2-CZ2 3.48Å; W117-W213 VanDerWaalsContact CH2-CZ2 3.48Å; W117-W213 HydrophobicContact CZ2-CD2 4.24Å; W117-W213 AromaticContact CZ2-CE2 3.46Å; W117-W213 VanDerWaalsContact CZ2-CE2 3.46Å; W117-W213 AromaticContact CZ2-CH2 3.6Å; W117-W213 HydrophobicContact CZ2-CH2 3.6Å; W117-W213 AromaticContact CZ2-CZ2 3.11Å; W117-W213 HydrophobicContact CZ2-CZ2 3.11Å; W117-W213 HydrophobicContact CZ2-CZ3 4.31Å; W117-W213 AromaticContact CZ2-NE1 3.92Å; W117-W213 HydrophobicContact CZ3-CZ2 4.25Å; W117-W213 AromaticContact NE1-CD1 3.52Å; W117-W213 AromaticContact NE1-CD2 4Å; W117-W213 AromaticContact NE1-CE2 3.55Å; W117-W213 AromaticContact NE1-CG 3.99Å; W117-W213 AromaticContact NE1-NE1 3.2Å; W117-W213 VanDerWaalsContact NE1-NE1 3.2Å; W117-W213 PolarHBondContact NE1-O 3.28Å; W117-W213 PolarHBondContact O-NE1 3.42Å; W117-V216 HydrophobicContact CG-CG1 4.48Å; W117-L220 HydrophobicContact CB-CD1 3.82Å; W117-L220 HydrophobicContact CD2-CD1 4.3Å; W117-L220 HydrophobicContact CG-CD1 3.92Å |
| 118 | K | 97.4 | Very high | 96.5 | Very high | 92 Ų | 92 | 69.3 Ų | 69.3 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 173.4 | -176.1 | 174.9 | 179.7 | 175.3 | 0 | 112.5 | I18 F114 R116 R121 S122 | I18-K118 HydrophobicContact CD1-CG 4.41Å; I18-K118 HydrophobicContact CG2-CD 3.92Å; I18-K118 HydrophobicContact CG2-CG 4.18Å; F114-K118 HydrophobicContact CE1-CD 4.26Å; F114-K118 HydrophobicContact CZ-CD 4.07Å; F114-K118 WeakPolarHBondContact O-CB 3.48Å; F114-K118 PolarHBondContact O-N 2.67Å; R116-K118 VanDerWaalsContact C-N 3.27Å; R116-K118 PolarHBondContact O-N 3.16Å; K118-R121 WeakPolarHBondContact O-CB 3.41Å; K118-R121 PolarHBondContact O-N 2.89Å; K118-S122 PolarHBondContact O-N 2.97Å |
| 119 | S | 96.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.5 | -31.9 | 178.5 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | K115 R116 R121 S122 K123 | K115-S119 PolarHBondContact O-N 3.48Å; K115-S119 VanDerWaalsContact O-N 3.16Å; R116-S119 PolarHBondContact O-N 2.75Å; R116-S119 PolarHBondContact O-OG 2.97Å; S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 2.76Å; S119-S122 WeakPolarHBondContact O-CA 3.47Å; S119-S122 WeakPolarHBondContact O-CB 3.3Å; S119-S122 PolarHBondContact O-N 3.42Å; S119-S122 VanDerWaalsContact O-N 3.09Å; S119-K123 PolarHBondContact O-N 2.77Å |
| 120 | E | 96.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 170 | -58.7 | -46.1 | 132.3 | 0 | 0 | 111.8 | R116 S122 K123 L124 | R116-E120 PolarHBondContact O-N 3.32Å; R116-E120 VanDerWaalsContact O-N 3.1Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.48Å; E120-K123 PolarHBondContact O-N 3.45Å; E120-K123 WeakPolarHBondContact OE1-CE 3.38Å; E120-K123 IonicContact OE1-NZ 2.67Å; E120-K123 PolarHBondContact OE1-NZ 3.02Å; E120-K123 WeakPolarHBondContact OE2-CD 3.04Å; E120-K123 IonicContact OE2-NZ 3.34Å; E120-K123 PolarHBondContact OE2-NZ 2.72Å; E120-L124 WeakPolarHBondContact O-CG 3.19Å; E120-L124 PolarHBondContact O-N 3.11Å |
| 121 | R | 95.7 | Very high | 96.7 | Very high | 33 Ų | 33 | 70.2 Ų | 70.2 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 173 | -170.3 | 60 | -177.6 | 123.6 | -10.3 | 112.1 | A14 I18 W117 K118 S119 S125 Y205 W213 | A14-R121 HydrophobicContact CB-CG 4.5Å; I18-R121 HydrophobicContact CD1-CB 4.23Å; I18-R121 HydrophobicContact CD1-CG 4.07Å; W117-R121 PolarHBondContact O-N 3.45Å; K118-R121 WeakPolarHBondContact O-CB 3.41Å; K118-R121 PolarHBondContact O-N 2.89Å; S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 2.76Å; R121-S125 WeakPolarHBondContact O-CB 3.49Å; R121-S125 PolarHBondContact O-N 3.08Å; R121-Y205 PolarHBondContact NH1-OH 3.49Å; R121-Y205 PolarHBondContact NH2-OH 2.95Å; R121-W213 HydrophobicContact CB-CZ2 3.75Å; R121-W213 HydrophobicContact CG-CH2 4.24Å; R121-W213 HydrophobicContact CG-CZ2 3.78Å |
| 122 | S | 96.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 69.4 Ų | 69.4 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | K118 S119 E120 S125 T126 | K118-S122 PolarHBondContact O-N 2.97Å; S119-S122 WeakPolarHBondContact O-CA 3.47Å; S119-S122 WeakPolarHBondContact O-CB 3.3Å; S119-S122 PolarHBondContact O-N 3.42Å; S119-S122 VanDerWaalsContact O-N 3.09Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.48Å; S122-S125 PolarHBondContact O-N 3.05Å; S122-T126 PolarHBondContact O-N 3.03Å; S122-T126 PolarHBondContact O-OG1 3.03Å; S122-T126 VanDerWaalsContact O-OG1 3.12Å |
| 123 | K | 96.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 72.6 Ų | 72.6 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.8 | -51.8 | 174.6 | -66.3 | 178.3 | -164 | 164.9 | 0 | 111.5 | S119 E120 S125 T126 E127 | S119-K123 PolarHBondContact O-N 2.77Å; E120-K123 PolarHBondContact O-N 3.45Å; E120-K123 WeakPolarHBondContact OE1-CE 3.38Å; E120-K123 IonicContact OE1-NZ 2.67Å; E120-K123 PolarHBondContact OE1-NZ 3.02Å; E120-K123 WeakPolarHBondContact OE2-CD 3.04Å; E120-K123 IonicContact OE2-NZ 3.34Å; E120-K123 PolarHBondContact OE2-NZ 2.72Å; K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.09Å; K123-T126 PolarHBondContact O-N 3.16Å; K123-T126 VanDerWaalsContact O-N 3.12Å; K123-E127 PolarHBondContact O-N 3.19Å |
| 124 | L | 94.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -41 | 177.2 | -71.3 | 175.7 | 0 | 0 | 0 | 111.9 | E120 L128 Y205 C209 W213 | E120-L124 WeakPolarHBondContact O-CG 3.19Å; E120-L124 PolarHBondContact O-N 3.11Å; L124-L128 PolarHBondContact O-N 3.03Å; L124-Y205 HydrophobicContact CB-CE2 4.06Å; L124-Y205 WeakPolarHBondContact O-CE2 3.42Å; L124-C209 HydrophobicContact CD1-CB 4.45Å; L124-C209 HydrophobicContact CD2-CB 3.81Å; L124-W213 HydrophobicContact CD1-CB 4.08Å; L124-W213 HydrophobicContact CD1-CG 4.44Å |
| 125 | S | 93.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 73.8 Ų | 73.8 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.3 | -28.6 | 178 | -174.6 | 0 | 0 | 0 | 0 | 113.8 | R121 S122 K123 K129 | R121-S125 WeakPolarHBondContact O-CB 3.49Å; R121-S125 PolarHBondContact O-N 3.08Å; S122-S125 PolarHBondContact O-N 3.05Å; K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.09Å; S125-K129 WeakPolarHBondContact O-CD 3.12Å; S125-K129 VanDerWaalsContact O-CG 3.29Å; S125-K129 WeakPolarHBondContact O-CG 3.43Å; S125-K129 PolarHBondContact O-N 3.49Å |
| 126 | T | 96.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 71.2 Ų | 71.2 | 56% | 0.564 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.7 | -40.8 | 174.3 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | S122 K123 K129 S130 | S122-T126 PolarHBondContact O-N 3.03Å; S122-T126 PolarHBondContact O-OG1 3.03Å; S122-T126 VanDerWaalsContact O-OG1 3.12Å; K123-T126 PolarHBondContact O-N 3.16Å; K123-T126 VanDerWaalsContact O-N 3.12Å; T126-K129 WeakPolarHBondContact O-CB 3.29Å; T126-K129 PolarHBondContact O-N 3.3Å; T126-K129 VanDerWaalsContact O-N 3.11Å; T126-S130 PolarHBondContact O-N 3.21Å |
| 127 | E | 96.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 179.2 | -172 | 56.7 | -158.4 | 0 | 0 | 112.4 | K123 K129 S130 Q131 Y201 | K123-E127 PolarHBondContact O-N 3.19Å; E127-K129 PolarHBondContact O-N 3.48Å; E127-S130 WeakPolarHBondContact CA-OG 3.49Å; E127-S130 PolarHBondContact O-N 3.09Å; E127-S130 PolarHBondContact O-OG 3.44Å; E127-S130 PolarHBondContact OE1-OG 3.22Å; E127-S130 PolarHBondContact OE2-OG 3.13Å; E127-Q131 VanDerWaalsContact O-CG 3.3Å; E127-Q131 WeakPolarHBondContact O-CG 3.46Å; E127-Q131 PolarHBondContact O-N 2.73Å; E127-Q131 PolarHBondContact OE1-NE2 3.15Å; E127-Y201 WeakPolarHBondContact CB-OH 3.4Å; E127-Y201 HydrophobicContact CG-CE2 3.73Å; E127-Y201 WeakPolarHBondContact CG-OH 3.42Å |
| 128 | L | 95.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 168.8 | -177.1 | 64.9 | 0 | 0 | 0 | 111.8 | L124 T132 Y201 Y205 | L124-L128 PolarHBondContact O-N 3.03Å; L128-T132 WeakPolarHBondContact O-CB 3.29Å; L128-T132 PolarHBondContact O-N 3.1Å; L128-T132 PolarHBondContact O-OG1 3.16Å; L128-T132 VanDerWaalsContact O-OG1 3.05Å; L128-Y201 HydrophobicContact CB-CE1 4.28Å; L128-Y201 HydrophobicContact CD1-CD1 4.32Å; L128-Y201 HydrophobicContact CD1-CE1 3.97Å; L128-Y205 HydrophobicContact CB-CD2 4.27Å; L128-Y205 HydrophobicContact CB-CE2 3.93Å; L128-Y205 HydrophobicContact CD2-CD1 4.36Å; L128-Y205 HydrophobicContact CD2-CE1 3.78Å; L128-Y205 HydrophobicContact CD2-CE2 4.14Å |
| 129 | K | 96.6 | Very high | 96.8 | Very high | 141 Ų | 141 | 64.7 Ų | 64.7 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -73.5 | -35.1 | 177.6 | -72.4 | 171.4 | -179.1 | -179.1 | 0 | 113.2 | S125 T126 E127 R133 | S125-K129 WeakPolarHBondContact O-CD 3.12Å; S125-K129 VanDerWaalsContact O-CG 3.29Å; S125-K129 WeakPolarHBondContact O-CG 3.43Å; S125-K129 PolarHBondContact O-N 3.49Å; T126-K129 WeakPolarHBondContact O-CB 3.29Å; T126-K129 PolarHBondContact O-N 3.3Å; T126-K129 VanDerWaalsContact O-N 3.11Å; E127-K129 PolarHBondContact O-N 3.48Å; K129-R133 WeakPolarHBondContact O-CB 3.5Å; K129-R133 PolarHBondContact O-N 2.97Å |
| 130 | S | 97.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 174.1 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | T126 E127 R133 I134 | T126-S130 PolarHBondContact O-N 3.21Å; E127-S130 WeakPolarHBondContact CA-OG 3.49Å; E127-S130 PolarHBondContact O-N 3.09Å; E127-S130 PolarHBondContact O-OG 3.44Å; E127-S130 PolarHBondContact OE1-OG 3.22Å; E127-S130 PolarHBondContact OE2-OG 3.13Å; S130-R133 PolarHBondContact O-N 2.96Å; S130-I134 WeakPolarHBondContact O-CG1 3.38Å; S130-I134 PolarHBondContact O-N 3.47Å |
| 131 | Q | 96.9 | Very high | 97 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.5 | -60.9 | -64.8 | -31.1 | 0 | 0 | 112.2 | E127 I134 I135 F198 Y201 | E127-Q131 VanDerWaalsContact O-CG 3.3Å; E127-Q131 WeakPolarHBondContact O-CG 3.46Å; E127-Q131 PolarHBondContact O-N 2.73Å; E127-Q131 PolarHBondContact OE1-NE2 3.15Å; Q131-I134 PolarHBondContact O-N 3.05Å; Q131-I135 PolarHBondContact O-N 3Å; Q131-F198 HydrophobicContact CB-CD2 4.12Å; Q131-Y201 HydrophobicContact CB-CD1 4.04Å; Q131-Y201 HydrophobicContact CB-CE1 4.49Å; Q131-Y201 HydrophobicContact CB-CG 4.4Å; Q131-Y201 HydrophobicContact CG-CD1 3.8Å; Q131-Y201 HydrophobicContact CG-CD2 4.09Å; Q131-Y201 HydrophobicContact CG-CE1 4.13Å; Q131-Y201 HydrophobicContact CG-CE2 4.38Å; Q131-Y201 HydrophobicContact CG-CG 3.8Å |
| 132 | T | 97.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 72.1 Ų | 72.1 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 171.3 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | L128 I134 I135 D136 | L128-T132 WeakPolarHBondContact O-CB 3.29Å; L128-T132 PolarHBondContact O-N 3.1Å; L128-T132 PolarHBondContact O-OG1 3.16Å; L128-T132 VanDerWaalsContact O-OG1 3.05Å; T132-I134 PolarHBondContact O-N 3.36Å; T132-I135 WeakPolarHBondContact O-CG2 3.36Å; T132-I135 PolarHBondContact O-N 3.06Å; T132-D136 WeakPolarHBondContact CG2-OD2 3.43Å; T132-D136 PolarHBondContact O-N 2.92Å |
| 133 | R | 98.1 | Very high | 97.2 | Very high | 168 Ų | 168 | 76.5 Ų | 76.5 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 178.6 | 177.9 | 179.5 | 171.1 | -179.6 | 0.7 | 112.4 | K129 S130 I135 D136 D137 | K129-R133 WeakPolarHBondContact O-CB 3.5Å; K129-R133 PolarHBondContact O-N 2.97Å; S130-R133 PolarHBondContact O-N 2.96Å; R133-I135 VanDerWaalsContact C-N 3.28Å; R133-I135 PolarHBondContact O-N 3.23Å; R133-D136 PolarHBondContact O-N 2.71Å; R133-D137 WeakPolarHBondContact CG-OD2 3.48Å; R133-D137 IonicContact CZ-OD2 2.71Å; R133-D137 IonicContact NE-OD2 2.74Å; R133-D137 PolarHBondContact NE-OD2 3.37Å; R133-D137 IonicContact NH2-OD2 3.18Å; R133-D137 WeakPolarHBondContact O-CB 3.4Å; R133-D137 PolarHBondContact O-N 2.71Å |
| 134 | I | 97.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 73.4 Ų | 73.4 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 179.5 | -71.2 | 163.2 | 0 | 0 | 0 | 110.5 | S130 Q131 T132 E138 A194 | S130-I134 WeakPolarHBondContact O-CG1 3.38Å; S130-I134 PolarHBondContact O-N 3.47Å; Q131-I134 PolarHBondContact O-N 3.05Å; T132-I134 PolarHBondContact O-N 3.36Å; I134-E138 WeakPolarHBondContact O-CB 3.49Å; I134-E138 PolarHBondContact O-N 3.16Å; I134-E138 VanDerWaalsContact O-N 3.16Å; I134-A194 HydrophobicContact CG2-CB 4.47Å |
| 135 | I | 97.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 74.2 Ų | 74.2 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.3 | -33.3 | 178.7 | -167.4 | 166.2 | 0 | 0 | 0 | 113 | Q131 T132 R133 E138 I139 Y191 L195 F198 | Q131-I135 PolarHBondContact O-N 3Å; T132-I135 WeakPolarHBondContact O-CG2 3.36Å; T132-I135 PolarHBondContact O-N 3.06Å; R133-I135 VanDerWaalsContact C-N 3.28Å; R133-I135 PolarHBondContact O-N 3.23Å; I135-E138 PolarHBondContact O-N 3.3Å; I135-I139 HydrophobicContact CD1-CD1 4.48Å; I135-I139 HydrophobicContact CG1-CD1 3.83Å; I135-I139 HydrophobicContact CG1-CG1 4.11Å; I135-I139 VanDerWaalsContact O-CB 3.3Å; I135-I139 WeakPolarHBondContact O-CB 3.34Å; I135-I139 WeakPolarHBondContact O-CG1 3.34Å; I135-I139 PolarHBondContact O-N 3.23Å; I135-Y191 HydrophobicContact CD1-CE2 4.48Å; I135-Y191 HydrophobicContact CG1-CE2 4.33Å; I135-L195 HydrophobicContact CD1-CB 4.16Å; I135-L195 HydrophobicContact CD1-CD1 3.7Å; I135-F198 HydrophobicContact CB-CB 4.37Å; I135-F198 HydrophobicContact CB-CG 4.35Å; I135-F198 HydrophobicContact CD1-CB 3.92Å; I135-F198 HydrophobicContact CD1-CD1 3.9Å; I135-F198 HydrophobicContact CD1-CG 4.02Å; I135-F198 HydrophobicContact CG2-CB 4.43Å; I135-F198 HydrophobicContact CG2-CD1 4.23Å; I135-F198 HydrophobicContact CG2-CD2 3.79Å; I135-F198 HydrophobicContact CG2-CE1 4.45Å; I135-F198 HydrophobicContact CG2-CE2 4.06Å; I135-F198 HydrophobicContact CG2-CG 3.88Å; I135-F198 HydrophobicContact CG2-CZ 4.38Å |
| 136 | D | 98.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 77.7 Ų | 77.7 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 173.2 | -73 | -29 | 0 | 0 | 0 | 112.1 | T132 R133 E138 K140 | T132-D136 WeakPolarHBondContact CG2-OD2 3.43Å; T132-D136 PolarHBondContact O-N 2.92Å; R133-D136 PolarHBondContact O-N 2.71Å; D136-E138 VanDerWaalsContact C-N 3.29Å; D136-E138 PolarHBondContact O-N 3.29Å; D136-K140 WeakPolarHBondContact O-CB 3.23Å; D136-K140 PolarHBondContact O-N 3.03Å |
| 137 | D | 98.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 80.1 Ų | 80.1 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 177.6 | -82.9 | -35 | 0 | 0 | 0 | 111.1 | R133 K140 R141 | R133-D137 WeakPolarHBondContact CG-OD2 3.48Å; R133-D137 IonicContact CZ-OD2 2.71Å; R133-D137 IonicContact NE-OD2 2.74Å; R133-D137 PolarHBondContact NE-OD2 3.37Å; R133-D137 IonicContact NH2-OD2 3.18Å; R133-D137 WeakPolarHBondContact O-CB 3.4Å; R133-D137 PolarHBondContact O-N 2.71Å; D137-K140 WeakPolarHBondContact O-CB 3.38Å; D137-R141 PolarHBondContact O-N 3.29Å |
| 138 | E | 98 | Very high | 97.8 | Very high | 18 Ų | 18 | 79.4 Ų | 79.4 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -86.4 | -33.7 | -179.9 | -163.2 | 54.4 | -136.9 | 0 | 0 | 114 | I134 I135 D136 K140 R141 Y142 D190 A194 | I134-E138 WeakPolarHBondContact O-CB 3.49Å; I134-E138 PolarHBondContact O-N 3.16Å; I134-E138 VanDerWaalsContact O-N 3.16Å; I135-E138 PolarHBondContact O-N 3.3Å; D136-E138 VanDerWaalsContact C-N 3.29Å; D136-E138 PolarHBondContact O-N 3.29Å; E138-K140 PolarHBondContact O-N 3.4Å; E138-R141 PolarHBondContact O-N 2.94Å; E138-R141 VanDerWaalsContact O-N 3.16Å; E138-R141 WeakPolarHBondContact OE1-CB 3.27Å; E138-R141 WeakPolarHBondContact OE1-CD 3.47Å; E138-R141 IonicContact OE1-NE 3.94Å; E138-R141 PolarHBondContact OE1-NE 3.21Å; E138-R141 IonicContact OE2-CZ 2.88Å; E138-R141 IonicContact OE2-NE 2.75Å; E138-R141 PolarHBondContact OE2-NE 3.01Å; E138-R141 IonicContact OE2-NH2 2.65Å; E138-R141 PolarHBondContact OE2-NH2 3.23Å; E138-Y142 WeakPolarHBondContact O-CB 3.41Å; E138-Y142 PolarHBondContact O-N 3.23Å; E138-D190 HydrophobicContact CG-CB 4.4Å; E138-A194 HydrophobicContact CB-CB 4.32Å; E138-A194 HydrophobicContact CG-CB 4.32Å |
| 139 | I | 98.2 | Very high | 98 | Very high | 42 Ų | 42 | 79.7 Ų | 79.7 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.1 | -40 | 165.6 | -76.2 | 168 | 0 | 0 | 0 | 109.7 | I135 R143 Y191 | I135-I139 HydrophobicContact CD1-CD1 4.48Å; I135-I139 HydrophobicContact CG1-CD1 3.83Å; I135-I139 HydrophobicContact CG1-CG1 4.11Å; I135-I139 VanDerWaalsContact O-CB 3.3Å; I135-I139 WeakPolarHBondContact O-CB 3.34Å; I135-I139 WeakPolarHBondContact O-CG1 3.34Å; I135-I139 PolarHBondContact O-N 3.23Å; I139-R143 WeakPolarHBondContact O-CB 3.31Å; I139-R143 VanDerWaalsContact O-CG 3.26Å; I139-R143 WeakPolarHBondContact O-CG 3.34Å; I139-R143 PolarHBondContact O-N 3.48Å; I139-R143 VanDerWaalsContact O-N 3.09Å; I139-Y191 HydrophobicContact CD1-CE2 4.13Å; I139-Y191 HydrophobicContact CG1-CD2 3.88Å; I139-Y191 HydrophobicContact CG1-CE2 3.35Å |
| 140 | K | 98.4 | Very high | 98 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -50.1 | 173.8 | -177.9 | -177.1 | 173.4 | -171.7 | 0 | 111.4 | D136 D137 E138 Y142 R143 D144 | D136-K140 WeakPolarHBondContact O-CB 3.23Å; D136-K140 PolarHBondContact O-N 3.03Å; D137-K140 WeakPolarHBondContact O-CB 3.38Å; E138-K140 PolarHBondContact O-N 3.4Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 PolarHBondContact O-N 3.16Å; K140-R143 PolarHBondContact O-N 3.34Å; K140-D144 WeakPolarHBondContact O-CB 3.46Å; K140-D144 PolarHBondContact O-N 3.2Å |
| 141 | R | 98.3 | Very high | 98.1 | Very high | 126 Ų | 126 | 79.6 Ų | 79.6 | 48% | 0.475 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.8 | -46.7 | 177.2 | -169.2 | -164.8 | -48.7 | -84 | -8.9 | 112 | D137 E138 R143 D144 K145 A187 | D137-R141 PolarHBondContact O-N 3.29Å; E138-R141 PolarHBondContact O-N 2.94Å; E138-R141 VanDerWaalsContact O-N 3.16Å; E138-R141 WeakPolarHBondContact OE1-CB 3.27Å; E138-R141 WeakPolarHBondContact OE1-CD 3.47Å; E138-R141 IonicContact OE1-NE 3.94Å; E138-R141 PolarHBondContact OE1-NE 3.21Å; E138-R141 IonicContact OE2-CZ 2.88Å; E138-R141 IonicContact OE2-NE 2.75Å; E138-R141 PolarHBondContact OE2-NE 3.01Å; E138-R141 IonicContact OE2-NH2 2.65Å; E138-R141 PolarHBondContact OE2-NH2 3.23Å; R141-R143 PolarHBondContact O-N 3.05Å; R141-D144 PolarHBondContact O-N 3.28Å; R141-K145 HydrophobicContact CG-CG 4.34Å; R141-K145 PolarHBondContact O-N 3.01Å; R141-A187 HydrophobicContact CG-CB 4.2Å |
| 142 | Y | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 78.9 Ų | 78.9 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 177.3 | 175 | -105 | 0 | 0 | 0 | 112 | E138 K140 D144 Y146 F184 R188 Y191 | E138-Y142 WeakPolarHBondContact O-CB 3.41Å; E138-Y142 PolarHBondContact O-N 3.23Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 PolarHBondContact O-N 3.16Å; Y142-D144 VanDerWaalsContact C-N 3.33Å; Y142-D144 PolarHBondContact O-N 3.41Å; Y142-Y146 WeakPolarHBondContact O-CB 3.31Å; Y142-Y146 PolarHBondContact O-N 3.05Å; Y142-F184 AromaticContact CD2-CE2 3.91Å; Y142-F184 HydrophobicContact CD2-CE2 3.91Å; Y142-F184 HydrophobicContact CE2-CD2 4.3Å; Y142-F184 AromaticContact CE2-CE2 3.33Å; Y142-F184 HydrophobicContact CE2-CE2 3.33Å; Y142-F184 AromaticContact CE2-CZ 3.71Å; Y142-F184 HydrophobicContact CE2-CZ 3.71Å; Y142-F184 AromaticContact CZ-CE2 3.83Å; Y142-R188 HydrophobicContact CD2-CB 4.25Å; Y142-R188 HydrophobicContact CE2-CB 3.93Å; Y142-R188 HydrophobicContact CE2-CG 3.95Å; Y142-Y191 HydrophobicContact CD1-CD1 4.3Å; Y142-Y191 HydrophobicContact CD2-CD1 4.37Å; Y142-Y191 HydrophobicContact CG-CD1 4.14Å; Y142-Y191 HydrophobicContact CG-CG 4.43Å |
| 143 | R | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 81.8 Ų | 81.8 | 62% | 0.619 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.6 | -36 | 175.8 | -72.8 | 171.8 | 178.9 | -170.6 | 1.4 | 112.9 | I139 K140 R141 R147 | I139-R143 WeakPolarHBondContact O-CB 3.31Å; I139-R143 VanDerWaalsContact O-CG 3.26Å; I139-R143 WeakPolarHBondContact O-CG 3.34Å; I139-R143 PolarHBondContact O-N 3.48Å; I139-R143 VanDerWaalsContact O-N 3.09Å; K140-R143 PolarHBondContact O-N 3.34Å; R141-R143 PolarHBondContact O-N 3.05Å; R143-R147 VanDerWaalsContact C-NH1 3.26Å; R143-R147 WeakPolarHBondContact O-CG 3.33Å; R143-R147 PolarHBondContact O-N 3.4Å; R143-R147 PolarHBondContact O-NH1 3.44Å |
| 144 | D | 98.5 | Very high | 98.1 | Very high | 53 Ų | 53 | 78.5 Ų | 78.5 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.7 | -46 | -180 | -68.9 | -10 | 0 | 0 | 0 | 110.8 | K140 R141 Y142 Y146 R147 D148 | K140-D144 WeakPolarHBondContact O-CB 3.46Å; K140-D144 PolarHBondContact O-N 3.2Å; R141-D144 PolarHBondContact O-N 3.28Å; Y142-D144 VanDerWaalsContact C-N 3.33Å; Y142-D144 PolarHBondContact O-N 3.41Å; D144-Y146 PolarHBondContact O-N 3.35Å; D144-R147 PolarHBondContact O-N 2.95Å; D144-R147 IonicContact OD1-CZ 2.93Å; D144-R147 IonicContact OD1-NH1 2.94Å; D144-R147 PolarHBondContact OD1-NH1 3.15Å; D144-R147 IonicContact OD1-NH2 3.93Å; D144-R147 PolarHBondContact OD1-NH2 2.91Å; D144-D148 PolarHBondContact O-N 2.97Å; D144-D148 VanDerWaalsContact O-N 3.09Å |
| 145 | K | 98.2 | Very high | 98.1 | Very high | 48 Ų | 48 | 76.7 Ų | 76.7 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -32.6 | 175.5 | -69 | -57.6 | -167.1 | -178.6 | 0 | 113.7 | R141 R147 D148 M149 D183 F184 A187 | R141-K145 HydrophobicContact CG-CG 4.34Å; R141-K145 PolarHBondContact O-N 3.01Å; K145-R147 VanDerWaalsContact C-N 3.35Å; K145-R147 PolarHBondContact O-N 2.59Å; K145-D148 WeakPolarHBondContact O-CB 3.45Å; K145-D148 PolarHBondContact O-N 3.47Å; K145-M149 WeakPolarHBondContact O-CB 3.43Å; K145-M149 PolarHBondContact O-N 3.27Å; K145-D183 HydrophobicContact CD-CB 4.18Å; K145-D183 IonicContact NZ-OD1 3.08Å; K145-D183 PolarHBondContact NZ-OD1 3.27Å; K145-D183 IonicContact NZ-OD2 2.74Å; K145-D183 PolarHBondContact NZ-OD2 2.89Å; K145-F184 HydrophobicContact CB-CB 4.39Å; K145-A187 HydrophobicContact CB-CB 3.99Å; K145-A187 HydrophobicContact CG-CB 3.86Å |
| 146 | Y | 98.3 | Very high | 98 | Very high | 115 Ų | 115 | 78.8 Ų | 78.8 | 45% | 0.451 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 172.1 | -178.9 | -104.5 | 0 | 0 | 0 | 111.9 | Y142 D144 M149 I150 F184 | Y142-Y146 WeakPolarHBondContact O-CB 3.31Å; Y142-Y146 PolarHBondContact O-N 3.05Å; D144-Y146 PolarHBondContact O-N 3.35Å; Y146-M149 HydrophobicContact CD2-CE 3.93Å; Y146-M149 HydrophobicContact CE2-CE 3.94Å; Y146-M149 PolarHBondContact O-N 3.02Å; Y146-I150 HydrophobicContact CD1-CG1 4.31Å; Y146-I150 HydrophobicContact CD2-CG1 4.44Å; Y146-I150 HydrophobicContact CE1-CG1 3.88Å; Y146-I150 HydrophobicContact CE2-CD1 4.14Å; Y146-I150 HydrophobicContact CE2-CG1 4.03Å; Y146-I150 WeakPolarHBondContact O-CG1 3.3Å; Y146-I150 PolarHBondContact O-N 3.19Å; Y146-F184 HydrophobicContact CD2-CD2 4.31Å; Y146-F184 AromaticContact CD2-CE2 3.72Å; Y146-F184 HydrophobicContact CD2-CE2 3.72Å; Y146-F184 AromaticContact CD2-CZ 3.94Å; Y146-F184 HydrophobicContact CD2-CZ 3.94Å; Y146-F184 HydrophobicContact CG-CE2 4.24Å |
| 147 | R | 98.5 | Very high | 97.9 | Very high | 143 Ų | 143 | 79 Ų | 79 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 177.4 | -64.3 | -170.4 | -45 | -80.6 | 7.7 | 112.3 | R143 D144 K145 M149 K151 | R143-R147 VanDerWaalsContact C-NH1 3.26Å; R143-R147 WeakPolarHBondContact O-CG 3.33Å; R143-R147 PolarHBondContact O-N 3.4Å; R143-R147 PolarHBondContact O-NH1 3.44Å; D144-R147 PolarHBondContact O-N 2.95Å; D144-R147 IonicContact OD1-CZ 2.93Å; D144-R147 IonicContact OD1-NH1 2.94Å; D144-R147 PolarHBondContact OD1-NH1 3.15Å; D144-R147 IonicContact OD1-NH2 3.93Å; D144-R147 PolarHBondContact OD1-NH2 2.91Å; K145-R147 VanDerWaalsContact C-N 3.35Å; K145-R147 PolarHBondContact O-N 2.59Å; R147-M149 VanDerWaalsContact C-N 3.32Å; R147-M149 PolarHBondContact O-N 3.36Å; R147-K151 WeakPolarHBondContact O-CB 3.44Å; R147-K151 PolarHBondContact O-N 3.21Å |
| 148 | D | 98.2 | Very high | 97.8 | Very high | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.342 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.6 | -45.4 | 172.2 | -96.1 | 18.2 | 0 | 0 | 0 | 111.9 | D144 K145 A152 K180 | D144-D148 PolarHBondContact O-N 2.97Å; D144-D148 VanDerWaalsContact O-N 3.09Å; K145-D148 WeakPolarHBondContact O-CB 3.45Å; K145-D148 PolarHBondContact O-N 3.47Å; D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.24Å; D148-A152 PolarHBondContact O-N 3.07Å; D148-K180 HydrophobicContact CB-CD 4.16Å; D148-K180 IonicContact OD2-NZ 2.63Å; D148-K180 PolarHBondContact OD2-NZ 2.95Å |
| 149 | M | 98 | Very high | 97.6 | Very high | 32 Ų | 32 | 82.9 Ų | 82.9 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.5 | -49.8 | -180 | -179.6 | -155.9 | 72.2 | 0 | 0 | 112.4 | K145 Y146 R147 K151 A152 K153 K180 E181 F184 | K145-M149 WeakPolarHBondContact O-CB 3.43Å; K145-M149 PolarHBondContact O-N 3.27Å; Y146-M149 HydrophobicContact CD2-CE 3.93Å; Y146-M149 HydrophobicContact CE2-CE 3.94Å; Y146-M149 PolarHBondContact O-N 3.02Å; R147-M149 VanDerWaalsContact C-N 3.32Å; R147-M149 PolarHBondContact O-N 3.36Å; M149-K151 VanDerWaalsContact C-N 3.34Å; M149-K151 PolarHBondContact O-N 2.99Å; M149-A152 PolarHBondContact O-N 2.97Å; M149-K153 WeakPolarHBondContact O-CB 3.26Å; M149-K153 PolarHBondContact O-N 3.37Å; M149-K180 HydrophobicContact CB-CB 4.44Å; M149-E181 HydrophobicContact CG-CB 4.46Å; M149-F184 HydrophobicContact CB-CB 4.06Å; M149-F184 HydrophobicContact CE-CD1 4.42Å; M149-F184 HydrophobicContact CG-CB 4.37Å; M149-F184 HydrophobicContact SD-CB 4Å; M149-F184 HydrophobicContact SD-CD1 3.48Å; M149-F184 WeakPolarHBondContact SD-CD1 3.38Å; M149-F184 HydrophobicContact SD-CE1 4.14Å; M149-F184 HydrophobicContact SD-CG 3.81Å |
| 150 | I | 98 | Very high | 97.4 | Very high | 52 Ų | 52 | 85.1 Ų | 85.1 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 178.2 | -68.4 | -66.9 | 0 | 0 | 0 | 110.1 | Y146 A152 K153 E154 | Y146-I150 HydrophobicContact CD1-CG1 4.31Å; Y146-I150 HydrophobicContact CD2-CG1 4.44Å; Y146-I150 HydrophobicContact CE1-CG1 3.88Å; Y146-I150 HydrophobicContact CE2-CD1 4.14Å; Y146-I150 HydrophobicContact CE2-CG1 4.03Å; Y146-I150 WeakPolarHBondContact O-CG1 3.3Å; Y146-I150 PolarHBondContact O-N 3.19Å; I150-A152 PolarHBondContact O-N 3.19Å; I150-K153 WeakPolarHBondContact O-CB 3.45Å; I150-K153 PolarHBondContact O-N 2.6Å; I150-E154 HydrophobicContact CG2-CG 4.44Å; I150-E154 VanDerWaalsContact CG2-OE1 3.31Å; I150-E154 WeakPolarHBondContact CG2-OE1 3.37Å; I150-E154 WeakPolarHBondContact O-CG 3.5Å; I150-E154 PolarHBondContact O-N 3.45Å |
| 151 | K | 98.1 | Very high | 97.2 | Very high | 126 Ų | 126 | 83 Ų | 83 | 55% | 0.548 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 178.2 | -177.8 | 180 | 175 | -177 | 0 | 112.6 | R147 M149 K153 E154 D155 | R147-K151 WeakPolarHBondContact O-CB 3.44Å; R147-K151 PolarHBondContact O-N 3.21Å; M149-K151 VanDerWaalsContact C-N 3.34Å; M149-K151 PolarHBondContact O-N 2.99Å; K151-K153 VanDerWaalsContact C-N 3.25Å; K151-K153 PolarHBondContact O-N 3.48Å; K151-E154 PolarHBondContact O-N 2.87Å; K151-D155 WeakPolarHBondContact CE-OD2 3.37Å; K151-D155 WeakPolarHBondContact O-CB 3.48Å; K151-D155 PolarHBondContact O-N 3.39Å |
| 152 | A | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.017 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -30 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D148 M149 I150 Y156 Y176 K180 | D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.24Å; D148-A152 PolarHBondContact O-N 3.07Å; M149-A152 PolarHBondContact O-N 2.97Å; I150-A152 PolarHBondContact O-N 3.19Å; A152-Y156 PolarHBondContact O-N 3.19Å; A152-Y176 HydrophobicContact CB-CD1 3.85Å; A152-Y176 HydrophobicContact CB-CE1 3.74Å; A152-K180 HydrophobicContact CB-CB 3.9Å; A152-K180 HydrophobicContact CB-CG 3.67Å |
| 153 | K | 97.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 86.7 Ų | 86.7 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.1 | -46 | 171.5 | -179.2 | 172.7 | 172.1 | 174.9 | 0 | 111.8 | M149 I150 K151 D155 Y156 E157 | M149-K153 WeakPolarHBondContact O-CB 3.26Å; M149-K153 PolarHBondContact O-N 3.37Å; I150-K153 WeakPolarHBondContact O-CB 3.45Å; I150-K153 PolarHBondContact O-N 2.6Å; K151-K153 VanDerWaalsContact C-N 3.25Å; K151-K153 PolarHBondContact O-N 3.48Å; K153-D155 VanDerWaalsContact C-N 3.3Å; K153-D155 PolarHBondContact O-N 3.43Å; K153-Y156 PolarHBondContact O-N 3.07Å; K153-E157 WeakPolarHBondContact CE-OE1 3.35Å; K153-E157 HydrophobicContact CG-CG 4.41Å; K153-E157 IonicContact NZ-OE1 2.71Å; K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 WeakPolarHBondContact O-CG 3.41Å; K153-E157 PolarHBondContact O-N 3.21Å |
| 154 | E | 97.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 83.4 Ų | 83.4 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 173.9 | -69.1 | 167.3 | 176 | 0 | 0 | 112.4 | I150 K151 R158 | I150-E154 HydrophobicContact CG2-CG 4.44Å; I150-E154 VanDerWaalsContact CG2-OE1 3.31Å; I150-E154 WeakPolarHBondContact CG2-OE1 3.37Å; I150-E154 WeakPolarHBondContact O-CG 3.5Å; I150-E154 PolarHBondContact O-N 3.45Å; K151-E154 PolarHBondContact O-N 2.87Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3Å; E154-R158 VanDerWaalsContact O-N 3.14Å |
| 155 | D | 96.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 84.6 Ų | 84.6 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 174.2 | -75.2 | -32.3 | 0 | 0 | 0 | 111.4 | K151 K153 R158 I159 | K151-D155 WeakPolarHBondContact CE-OD2 3.37Å; K151-D155 WeakPolarHBondContact O-CB 3.48Å; K151-D155 PolarHBondContact O-N 3.39Å; K153-D155 VanDerWaalsContact C-N 3.3Å; K153-D155 PolarHBondContact O-N 3.43Å; D155-R158 IonicContact OD1-CZ 3.2Å; D155-R158 IonicContact OD1-NH1 3.15Å; D155-R158 PolarHBondContact OD1-NH1 3.46Å; D155-R158 IonicContact OD1-NH2 2.76Å; D155-R158 PolarHBondContact OD1-NH2 3.17Å; D155-I159 WeakPolarHBondContact O-CD1 3.43Å; D155-I159 VanDerWaalsContact O-CG1 3.28Å; D155-I159 WeakPolarHBondContact O-CG1 3.39Å; D155-I159 PolarHBondContact O-N 3.44Å; D155-I159 VanDerWaalsContact O-N 3.12Å |
| 156 | Y | 96.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 85.3 Ų | 85.3 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 174.1 | 161.3 | -104.9 | 0 | 0 | 0 | 112.9 | A152 K153 R158 I159 N160 V170 A173 L174 | A152-Y156 PolarHBondContact O-N 3.19Å; K153-Y156 PolarHBondContact O-N 3.07Å; Y156-R158 VanDerWaalsContact C-N 3.25Å; Y156-R158 PolarHBondContact O-N 2.7Å; Y156-I159 PolarHBondContact O-N 3.3Å; Y156-N160 HydrophobicContact CD2-CB 4.43Å; Y156-N160 HydrophobicContact CE2-CB 3.98Å; Y156-N160 VanDerWaalsContact O-CB 3.31Å; Y156-N160 WeakPolarHBondContact O-CB 3.44Å; Y156-N160 PolarHBondContact O-N 3.09Å; Y156-V170 HydrophobicContact CE2-CG1 4.2Å; Y156-A173 HydrophobicContact CD2-CB 4.16Å; Y156-L174 HydrophobicContact CD2-CB 3.83Å; Y156-L174 HydrophobicContact CD2-CD1 4.44Å; Y156-L174 HydrophobicContact CE1-CD1 4.31Å; Y156-L174 HydrophobicContact CE2-CB 3.65Å; Y156-L174 HydrophobicContact CE2-CD1 3.98Å; Y156-L174 HydrophobicContact CE2-CG 4.28Å |
| 157 | E | 96.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 88.1 Ų | 88.1 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | -179.1 | -74.4 | 173.8 | 173.7 | 0 | 0 | 111.5 | K153 A161 | K153-E157 WeakPolarHBondContact CE-OE1 3.35Å; K153-E157 HydrophobicContact CG-CG 4.41Å; K153-E157 IonicContact NZ-OE1 2.71Å; K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 WeakPolarHBondContact O-CG 3.41Å; K153-E157 PolarHBondContact O-N 3.21Å; E157-A161 WeakPolarHBondContact O-CB 3.43Å; E157-A161 PolarHBondContact O-N 2.85Å; E157-A161 VanDerWaalsContact O-N 3.15Å |
| 158 | R | 96.3 | Very high | 94.7 | Very high | 140 Ų | 140 | 87.7 Ų | 87.7 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -49.5 | 172.3 | -166.3 | -168.9 | -43.7 | 117.9 | 15.3 | 112.5 | E154 D155 Y156 N160 A161 D162 | E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3Å; E154-R158 VanDerWaalsContact O-N 3.14Å; D155-R158 IonicContact OD1-CZ 3.2Å; D155-R158 IonicContact OD1-NH1 3.15Å; D155-R158 PolarHBondContact OD1-NH1 3.46Å; D155-R158 IonicContact OD1-NH2 2.76Å; D155-R158 PolarHBondContact OD1-NH2 3.17Å; Y156-R158 VanDerWaalsContact C-N 3.25Å; Y156-R158 PolarHBondContact O-N 2.7Å; R158-N160 VanDerWaalsContact C-N 3.31Å; R158-N160 PolarHBondContact O-N 2.96Å; R158-A161 PolarHBondContact O-N 3.43Å; R158-D162 PolarHBondContact O-N 3.42Å |
| 159 | I | 94.6 | Very high | 94.5 | Very high | 37 Ų | 37 | 87.2 Ų | 87.2 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.2 | -35.9 | -178.7 | -71 | 167.8 | 0 | 0 | 0 | 111.3 | D155 Y156 H165 D169 V170 A173 | D155-I159 WeakPolarHBondContact O-CD1 3.43Å; D155-I159 VanDerWaalsContact O-CG1 3.28Å; D155-I159 WeakPolarHBondContact O-CG1 3.39Å; D155-I159 PolarHBondContact O-N 3.44Å; D155-I159 VanDerWaalsContact O-N 3.12Å; Y156-I159 PolarHBondContact O-N 3.3Å; I159-H165 HydrophobicContact CG2-CB 4.14Å; I159-D169 HydrophobicContact CG2-CB 4.47Å; I159-V170 HydrophobicContact CG2-CG2 4.05Å; I159-A173 HydrophobicContact CB-CB 4.25Å; I159-A173 HydrophobicContact CD1-CB 3.76Å; I159-A173 HydrophobicContact CG2-CB 4.09Å |
| 160 | N | 94 | Very high | 94.4 | Very high | 89 Ų | 89 | 87.1 Ų | 87.1 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76 | -21.4 | 177.6 | -175.8 | 85.3 | 0 | 0 | 0 | 113.5 | Y156 R158 V170 | Y156-N160 HydrophobicContact CD2-CB 4.43Å; Y156-N160 HydrophobicContact CE2-CB 3.98Å; Y156-N160 VanDerWaalsContact O-CB 3.31Å; Y156-N160 WeakPolarHBondContact O-CB 3.44Å; Y156-N160 PolarHBondContact O-N 3.09Å; R158-N160 VanDerWaalsContact C-N 3.31Å; R158-N160 PolarHBondContact O-N 2.96Å; N160-V170 HydrophobicContact CB-CG1 4.13Å; N160-V170 WeakPolarHBondContact OD1-CG1 3.28Å |
| 161 | A | 94 | Very high | 94.3 | Very high | 79 Ų | 79 | 90.1 Ų | 90.1 | 65% | 0.653 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84.9 | -25.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E157 R158 | E157-A161 WeakPolarHBondContact O-CB 3.43Å; E157-A161 PolarHBondContact O-N 2.85Å; E157-A161 VanDerWaalsContact O-N 3.15Å; R158-A161 PolarHBondContact O-N 3.43Å |
| 162 | D | 92.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 90.4 Ų | 90.4 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | trans | -88.2 | 112 | -178.7 | -172.5 | -21.1 | 0 | 0 | 0 | 111.6 | R158 S164 H165 | R158-D162 PolarHBondContact O-N 3.42Å; D162-S164 VanDerWaalsContact CG-OG 3.22Å; D162-S164 PolarHBondContact O-N 3.24Å; D162-S164 VanDerWaalsContact O-N 3.14Å; D162-S164 VanDerWaalsContact OD1-CB 3.26Å; D162-S164 WeakPolarHBondContact OD1-CB 3.48Å; D162-S164 PolarHBondContact OD1-N 2.99Å; D162-S164 PolarHBondContact OD1-OG 3.05Å; D162-S164 PolarHBondContact OD2-OG 3.35Å; D162-H165 PolarHBondContact O-N 3.38Å | ||
| 163 | Q | 84.2 | Confident | 94.1 | Very high | 195 Ų | 195 | 90.9 Ų | 90.9 | 91% | 0.911 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.5 | -178.6 | -62.8 | 179.1 | -2.9 | 0 | 0 | 114.1 | ||
| 164 | S | 91.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 87.7 Ų | 87.7 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.9 | 175.4 | 71 | 0 | 0 | 0 | 0 | 113.9 | D162 | D162-S164 VanDerWaalsContact CG-OG 3.22Å; D162-S164 PolarHBondContact O-N 3.24Å; D162-S164 VanDerWaalsContact O-N 3.14Å; D162-S164 VanDerWaalsContact OD1-CB 3.26Å; D162-S164 WeakPolarHBondContact OD1-CB 3.48Å; D162-S164 PolarHBondContact OD1-N 2.99Å; D162-S164 PolarHBondContact OD1-OG 3.05Å; D162-S164 PolarHBondContact OD2-OG 3.35Å |
| 165 | H | 89.2 | Confident | 94.1 | Very high | 78 Ų | 78 | 86.4 Ų | 86.4 | 36% | 0.361 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -79.4 | 147.4 | 178.5 | -83.4 | -59.6 | 0 | 0 | 0 | 113.2 | I159 D162 D169 V170 | I159-H165 HydrophobicContact CG2-CB 4.14Å; D162-H165 PolarHBondContact O-N 3.38Å; H165-D169 HydrophobicContact CB-CB 4.27Å; H165-D169 IonicContact ND1-OD2 3.85Å; H165-V170 HydrophobicContact CB-CG2 4.47Å |
| 166 | S | 92.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 90.1 Ų | 90.1 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | trans | -69 | 149.7 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | F168 D169 V170 | S166-F168 PolarHBondContact O-N 3.02Å; S166-F168 VanDerWaalsContact O-N 3.11Å; S166-F168 PolarHBondContact OG-N 2.96Å; S166-D169 WeakPolarHBondContact CB-OD2 3.26Å; S166-D169 PolarHBondContact N-OD2 3.13Å; S166-D169 WeakPolarHBondContact O-CA 3.19Å; S166-D169 WeakPolarHBondContact O-CB 3.37Å; S166-D169 PolarHBondContact O-N 2.72Å; S166-V170 PolarHBondContact O-N 3.05Å | ||
| 167 | Q | 92 | Very high | 94.2 | Very high | 175 Ų | 175 | 88.1 Ų | 88.1 | 82% | 0.818 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -52.7 | -32.4 | 167.6 | -69.2 | -177.1 | -14.8 | 0 | 0 | 111.9 | V170 E171 | Q167-V170 PolarHBondContact O-N 2.94Å; Q167-E171 WeakPolarHBondContact O-CB 3.35Å; Q167-E171 PolarHBondContact O-N 2.97Å |
| 168 | F | 93.6 | Very high | 94.3 | Very high | 134 Ų | 134 | 89.4 Ų | 89.4 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.4 | -36.8 | 173.6 | 178.8 | -99.6 | 0 | 0 | 0 | 113.1 | S166 K172 | S166-F168 PolarHBondContact O-N 3.02Å; S166-F168 VanDerWaalsContact O-N 3.11Å; S166-F168 PolarHBondContact OG-N 2.96Å; F168-K172 HydrophobicContact CE1-CD 4.33Å; F168-K172 WeakPolarHBondContact O-CB 3.39Å; F168-K172 PolarHBondContact O-N 3.29Å |
| 169 | D | 94.7 | Very high | 94.4 | Very high | 54 Ų | 54 | 87.4 Ų | 87.4 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 176.3 | -63.7 | -47.7 | 0 | 0 | 0 | 111 | I159 H165 S166 K172 A173 | I159-D169 HydrophobicContact CG2-CB 4.47Å; H165-D169 HydrophobicContact CB-CB 4.27Å; H165-D169 IonicContact ND1-OD2 3.85Å; S166-D169 WeakPolarHBondContact CB-OD2 3.26Å; S166-D169 PolarHBondContact N-OD2 3.13Å; S166-D169 WeakPolarHBondContact O-CA 3.19Å; S166-D169 WeakPolarHBondContact O-CB 3.37Å; S166-D169 PolarHBondContact O-N 2.72Å; D169-K172 PolarHBondContact O-N 3.23Å; D169-A173 VanDerWaalsContact O-CB 3.32Å; D169-A173 WeakPolarHBondContact O-CB 3.2Å; D169-A173 PolarHBondContact O-N 2.89Å |
| 170 | V | 95.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 86.9 Ų | 86.9 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | Y156 I159 N160 H165 S166 Q167 A173 L174 | Y156-V170 HydrophobicContact CE2-CG1 4.2Å; I159-V170 HydrophobicContact CG2-CG2 4.05Å; N160-V170 HydrophobicContact CB-CG1 4.13Å; N160-V170 WeakPolarHBondContact OD1-CG1 3.28Å; H165-V170 HydrophobicContact CB-CG2 4.47Å; S166-V170 PolarHBondContact O-N 3.05Å; Q167-V170 PolarHBondContact O-N 2.94Å; V170-A173 PolarHBondContact O-N 3.27Å; V170-L174 WeakPolarHBondContact O-CB 3.31Å; V170-L174 PolarHBondContact O-N 3.4Å |
| 171 | E | 95.7 | Very high | 94.8 | Very high | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.5 | 179 | 172.5 | -161.8 | 0 | 0 | 112.2 | Q167 A173 L174 N175 | Q167-E171 WeakPolarHBondContact O-CB 3.35Å; Q167-E171 PolarHBondContact O-N 2.97Å; E171-A173 PolarHBondContact O-N 3.48Å; E171-L174 PolarHBondContact O-N 3.48Å; E171-N175 WeakPolarHBondContact CG-ND2 3.47Å; E171-N175 WeakPolarHBondContact O-CB 3.32Å; E171-N175 PolarHBondContact O-N 2.98Å; E171-N175 PolarHBondContact O-ND2 3.09Å |
| 172 | K | 96.7 | Very high | 95 | Very high | 132 Ų | 132 | 89.6 Ų | 89.6 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 175.4 | 177.8 | -178.6 | 172.7 | -170 | 0 | 111.8 | F168 D169 Y176 | F168-K172 HydrophobicContact CE1-CD 4.33Å; F168-K172 WeakPolarHBondContact O-CB 3.39Å; F168-K172 PolarHBondContact O-N 3.29Å; D169-K172 PolarHBondContact O-N 3.23Å; K172-Y176 WeakPolarHBondContact O-CB 3.5Å; K172-Y176 PolarHBondContact O-N 3.41Å |
| 173 | A | 96.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 88 Ų | 88 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y156 I159 D169 V170 E171 N175 Y176 A177 | Y156-A173 HydrophobicContact CD2-CB 4.16Å; I159-A173 HydrophobicContact CB-CB 4.25Å; I159-A173 HydrophobicContact CD1-CB 3.76Å; I159-A173 HydrophobicContact CG2-CB 4.09Å; D169-A173 VanDerWaalsContact O-CB 3.32Å; D169-A173 WeakPolarHBondContact O-CB 3.2Å; D169-A173 PolarHBondContact O-N 2.89Å; V170-A173 PolarHBondContact O-N 3.27Å; E171-A173 PolarHBondContact O-N 3.48Å; A173-N175 PolarHBondContact O-N 3.42Å; A173-Y176 PolarHBondContact O-N 2.8Å; A173-A177 PolarHBondContact O-N 2.91Å |
| 174 | L | 97 | Very high | 95.9 | Very high | 44 Ų | 44 | 79.7 Ų | 79.7 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.4 | 177.4 | 58.3 | 0 | 0 | 0 | 112 | Y156 V170 E171 Y176 A177 R178 | Y156-L174 HydrophobicContact CD2-CB 3.83Å; Y156-L174 HydrophobicContact CD2-CD1 4.44Å; Y156-L174 HydrophobicContact CE1-CD1 4.31Å; Y156-L174 HydrophobicContact CE2-CB 3.65Å; Y156-L174 HydrophobicContact CE2-CD1 3.98Å; Y156-L174 HydrophobicContact CE2-CG 4.28Å; V170-L174 WeakPolarHBondContact O-CB 3.31Å; V170-L174 PolarHBondContact O-N 3.4Å; E171-L174 PolarHBondContact O-N 3.48Å; L174-Y176 VanDerWaalsContact C-N 3.33Å; L174-Y176 PolarHBondContact O-N 2.99Å; L174-A177 PolarHBondContact O-N 2.65Å; L174-R178 HydrophobicContact CD1-CG 4.4Å; L174-R178 WeakPolarHBondContact O-CB 3.28Å; L174-R178 VanDerWaalsContact O-CG 3.31Å; L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.24Å |
| 175 | N | 97.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 77.6 Ų | 77.6 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.7 | -31.8 | 178.5 | -73.1 | -33.9 | 0 | 0 | 0 | 112.1 | E171 A173 R178 L179 | E171-N175 WeakPolarHBondContact CG-ND2 3.47Å; E171-N175 WeakPolarHBondContact O-CB 3.32Å; E171-N175 PolarHBondContact O-N 2.98Å; E171-N175 PolarHBondContact O-ND2 3.09Å; A173-N175 PolarHBondContact O-N 3.42Å; N175-R178 PolarHBondContact OD1-NH1 2.87Å; N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 PolarHBondContact O-N 3.38Å |
| 176 | Y | 97.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 82 Ų | 82 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 170.7 | -175.8 | -108.3 | 0 | 0 | 0 | 112.7 | A152 K172 A173 L174 L179 K180 | A152-Y176 HydrophobicContact CB-CD1 3.85Å; A152-Y176 HydrophobicContact CB-CE1 3.74Å; K172-Y176 WeakPolarHBondContact O-CB 3.5Å; K172-Y176 PolarHBondContact O-N 3.41Å; A173-Y176 PolarHBondContact O-N 2.8Å; L174-Y176 VanDerWaalsContact C-N 3.33Å; L174-Y176 PolarHBondContact O-N 2.99Å; Y176-L179 WeakPolarHBondContact O-CB 3.19Å; Y176-L179 PolarHBondContact O-N 2.85Å; Y176-K180 HydrophobicContact CE1-CG 4.29Å; Y176-K180 PolarHBondContact O-N 2.86Å; Y176-K180 WeakPolarHBondContact OH-CE 3.33Å |
| 177 | A | 97.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 79.2 Ų | 79.2 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A173 L174 L179 K180 E181 | A173-A177 PolarHBondContact O-N 2.91Å; L174-A177 PolarHBondContact O-N 2.65Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 3.19Å; A177-K180 PolarHBondContact O-N 2.96Å; A177-K180 VanDerWaalsContact O-N 3.11Å; A177-E181 PolarHBondContact O-N 3.39Å |
| 178 | R | 97.8 | Very high | 97.2 | Very high | 126 Ų | 126 | 76.7 Ų | 76.7 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 173 | -74.2 | 169.4 | 171.5 | 167.4 | -3.5 | 112.6 | L174 N175 K180 E181 I182 | L174-R178 HydrophobicContact CD1-CG 4.4Å; L174-R178 WeakPolarHBondContact O-CB 3.28Å; L174-R178 VanDerWaalsContact O-CG 3.31Å; L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.24Å; N175-R178 PolarHBondContact OD1-NH1 2.87Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 2.91Å; R178-E181 PolarHBondContact O-N 3.31Å; R178-I182 WeakPolarHBondContact O-CG1 3.07Å; R178-I182 PolarHBondContact O-N 3.49Å |
| 179 | L | 98.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 175.7 | 178.9 | 62.4 | 0 | 0 | 0 | 111.3 | N175 Y176 A177 I182 D183 | N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 PolarHBondContact O-N 3.38Å; Y176-L179 WeakPolarHBondContact O-CB 3.19Å; Y176-L179 PolarHBondContact O-N 2.85Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 3.19Å; L179-I182 PolarHBondContact O-N 3.35Å; L179-D183 WeakPolarHBondContact O-CB 3.46Å; L179-D183 PolarHBondContact O-N 3.46Å |
| 180 | K | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.1 | -31.8 | 177.3 | -67.4 | -54.9 | -164.1 | 170.5 | 0 | 114 | D148 M149 A152 Y176 A177 R178 D183 F184 | D148-K180 HydrophobicContact CB-CD 4.16Å; D148-K180 IonicContact OD2-NZ 2.63Å; D148-K180 PolarHBondContact OD2-NZ 2.95Å; M149-K180 HydrophobicContact CB-CB 4.44Å; A152-K180 HydrophobicContact CB-CB 3.9Å; A152-K180 HydrophobicContact CB-CG 3.67Å; Y176-K180 HydrophobicContact CE1-CG 4.29Å; Y176-K180 PolarHBondContact O-N 2.86Å; Y176-K180 WeakPolarHBondContact OH-CE 3.33Å; A177-K180 PolarHBondContact O-N 2.96Å; A177-K180 VanDerWaalsContact O-N 3.11Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 2.91Å; K180-D183 HydrophobicContact CD-CB 4.49Å; K180-D183 IonicContact NZ-OD2 3.3Å; K180-D183 WeakPolarHBondContact O-CB 3.43Å; K180-D183 PolarHBondContact O-N 2.95Å; K180-F184 WeakPolarHBondContact O-CB 3.07Å; K180-F184 PolarHBondContact O-N 2.79Å |
| 181 | E | 98.2 | Very high | 97.8 | Very high | 109 Ų | 109 | 78.9 Ų | 78.9 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 169.9 | -174.1 | 172.8 | -146.5 | 0 | 0 | 111.4 | M149 A177 R178 F184 E185 | M149-E181 HydrophobicContact CG-CB 4.46Å; A177-E181 PolarHBondContact O-N 3.39Å; R178-E181 PolarHBondContact O-N 3.31Å; E181-F184 PolarHBondContact O-N 2.95Å; E181-E185 WeakPolarHBondContact O-CB 3.08Å; E181-E185 PolarHBondContact O-N 3.29Å |
| 182 | I | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 76.3 Ų | 76.3 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 174.1 | -65.8 | 164.5 | 0 | 0 | 0 | 111.5 | R178 L179 F184 E185 R186 | R178-I182 WeakPolarHBondContact O-CG1 3.07Å; R178-I182 PolarHBondContact O-N 3.49Å; L179-I182 PolarHBondContact O-N 3.35Å; I182-F184 VanDerWaalsContact C-N 3.33Å; I182-F184 PolarHBondContact O-N 2.92Å; I182-E185 PolarHBondContact O-N 2.79Å; I182-R186 WeakPolarHBondContact O-CB 3.21Å; I182-R186 PolarHBondContact O-N 3.49Å |
| 183 | D | 98.2 | Very high | 98 | Very high | 46 Ų | 46 | 72.8 Ų | 72.8 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 175.7 | -127 | -3.4 | 0 | 0 | 0 | 111.8 | K145 L179 K180 A187 | K145-D183 HydrophobicContact CD-CB 4.18Å; K145-D183 IonicContact NZ-OD1 3.08Å; K145-D183 PolarHBondContact NZ-OD1 3.27Å; K145-D183 IonicContact NZ-OD2 2.74Å; K145-D183 PolarHBondContact NZ-OD2 2.89Å; L179-D183 WeakPolarHBondContact O-CB 3.46Å; L179-D183 PolarHBondContact O-N 3.46Å; K180-D183 HydrophobicContact CD-CB 4.49Å; K180-D183 IonicContact NZ-OD2 3.3Å; K180-D183 WeakPolarHBondContact O-CB 3.43Å; K180-D183 PolarHBondContact O-N 2.95Å; D183-A187 PolarHBondContact O-N 3.28Å |
| 184 | F | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.5 | -45.8 | 174.9 | 169 | -106.4 | 0 | 0 | 0 | 112.4 | Y142 K145 Y146 M149 K180 E181 I182 R186 A187 R188 | Y142-F184 AromaticContact CD2-CE2 3.91Å; Y142-F184 HydrophobicContact CD2-CE2 3.91Å; Y142-F184 HydrophobicContact CE2-CD2 4.3Å; Y142-F184 AromaticContact CE2-CE2 3.33Å; Y142-F184 HydrophobicContact CE2-CE2 3.33Å; Y142-F184 AromaticContact CE2-CZ 3.71Å; Y142-F184 HydrophobicContact CE2-CZ 3.71Å; Y142-F184 AromaticContact CZ-CE2 3.83Å; K145-F184 HydrophobicContact CB-CB 4.39Å; Y146-F184 HydrophobicContact CD2-CD2 4.31Å; Y146-F184 AromaticContact CD2-CE2 3.72Å; Y146-F184 HydrophobicContact CD2-CE2 3.72Å; Y146-F184 AromaticContact CD2-CZ 3.94Å; Y146-F184 HydrophobicContact CD2-CZ 3.94Å; Y146-F184 HydrophobicContact CG-CE2 4.24Å; M149-F184 HydrophobicContact CB-CB 4.06Å; M149-F184 HydrophobicContact CE-CD1 4.42Å; M149-F184 HydrophobicContact CG-CB 4.37Å; M149-F184 HydrophobicContact SD-CB 4Å; M149-F184 HydrophobicContact SD-CD1 3.48Å; M149-F184 WeakPolarHBondContact SD-CD1 3.38Å; M149-F184 HydrophobicContact SD-CE1 4.14Å; M149-F184 HydrophobicContact SD-CG 3.81Å; K180-F184 WeakPolarHBondContact O-CB 3.07Å; K180-F184 PolarHBondContact O-N 2.79Å; E181-F184 PolarHBondContact O-N 2.95Å; I182-F184 VanDerWaalsContact C-N 3.33Å; I182-F184 PolarHBondContact O-N 2.92Å; F184-R186 PolarHBondContact O-N 2.97Å; F184-A187 PolarHBondContact O-N 2.95Å; F184-A187 VanDerWaalsContact O-N 3.14Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 2.96Å |
| 185 | E | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 73.3 Ų | 73.3 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -31.1 | 176.3 | -84.4 | -59.5 | 137 | 0 | 0 | 112.9 | E181 I182 R188 K189 | E181-E185 WeakPolarHBondContact O-CB 3.08Å; E181-E185 PolarHBondContact O-N 3.29Å; I182-E185 PolarHBondContact O-N 2.79Å; E185-R188 IonicContact OE1-CZ 2.71Å; E185-R188 IonicContact OE1-NE 2.91Å; E185-R188 PolarHBondContact OE1-NE 2.62Å; E185-R188 IonicContact OE1-NH1 2.72Å; E185-R188 IonicContact OE1-NH2 3.79Å; E185-R188 PolarHBondContact OE1-NH2 3.21Å; E185-R188 IonicContact OE2-CZ 2.83Å; E185-R188 VanDerWaalsContact OE2-CZ 3.3Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 2.88Å; E185-R188 VanDerWaalsContact OE2-NE 3.08Å; E185-R188 IonicContact OE2-NH2 3.8Å; E185-R188 PolarHBondContact OE2-NH2 3.35Å; E185-K189 WeakPolarHBondContact O-CD 3.33Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 2.71Å |
| 186 | R | 98.2 | Very high | 98.1 | Very high | 171 Ų | 171 | 74.2 Ų | 74.2 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.9 | -54.9 | 170.4 | -173.9 | 174.4 | -175.3 | 157.3 | 6.1 | 111.5 | I182 F184 R188 K189 D190 | I182-R186 WeakPolarHBondContact O-CB 3.21Å; I182-R186 PolarHBondContact O-N 3.49Å; F184-R186 PolarHBondContact O-N 2.97Å; R186-R188 PolarHBondContact O-N 2.83Å; R186-K189 WeakPolarHBondContact O-CB 3.41Å; R186-K189 PolarHBondContact O-N 3.15Å; R186-D190 PolarHBondContact O-N 2.76Å |
| 187 | A | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 73.6 Ų | 73.6 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -29.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R141 K145 D183 F184 Y191 | R141-A187 HydrophobicContact CG-CB 4.2Å; K145-A187 HydrophobicContact CB-CB 3.99Å; K145-A187 HydrophobicContact CG-CB 3.86Å; D183-A187 PolarHBondContact O-N 3.28Å; F184-A187 PolarHBondContact O-N 2.95Å; F184-A187 VanDerWaalsContact O-N 3.14Å; A187-Y191 WeakPolarHBondContact O-CB 3.37Å; A187-Y191 PolarHBondContact O-N 2.93Å |
| 188 | R | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 74.1 Ų | 74.1 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 172.7 | -170.5 | 170.4 | 76.4 | 144.2 | -1.2 | 112.2 | Y142 F184 E185 R186 S192 | Y142-R188 HydrophobicContact CD2-CB 4.25Å; Y142-R188 HydrophobicContact CE2-CB 3.93Å; Y142-R188 HydrophobicContact CE2-CG 3.95Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 2.96Å; E185-R188 IonicContact OE1-CZ 2.71Å; E185-R188 IonicContact OE1-NE 2.91Å; E185-R188 PolarHBondContact OE1-NE 2.62Å; E185-R188 IonicContact OE1-NH1 2.72Å; E185-R188 IonicContact OE1-NH2 3.79Å; E185-R188 PolarHBondContact OE1-NH2 3.21Å; E185-R188 IonicContact OE2-CZ 2.83Å; E185-R188 VanDerWaalsContact OE2-CZ 3.3Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 2.88Å; E185-R188 VanDerWaalsContact OE2-NE 3.08Å; E185-R188 IonicContact OE2-NH2 3.8Å; E185-R188 PolarHBondContact OE2-NH2 3.35Å; R186-R188 PolarHBondContact O-N 2.83Å; R188-S192 WeakPolarHBondContact O-CB 3.36Å; R188-S192 PolarHBondContact O-N 3.15Å; R188-S192 VanDerWaalsContact O-N 3.1Å |
| 189 | K | 98.2 | Very high | 98 | Very high | 136 Ų | 136 | 71.6 Ų | 71.6 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.9 | -44.3 | 176.2 | -69.3 | 166.2 | -172.6 | 173.8 | 0 | 111.5 | E185 R186 S192 A193 | E185-K189 WeakPolarHBondContact O-CD 3.33Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 2.71Å; R186-K189 WeakPolarHBondContact O-CB 3.41Å; R186-K189 PolarHBondContact O-N 3.15Å; K189-S192 PolarHBondContact O-N 2.97Å; K189-A193 PolarHBondContact O-N 3.3Å |
| 190 | D | 98.2 | Very high | 98 | Very high | 66 Ų | 66 | 72.6 Ų | 72.6 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 178 | -64.1 | -21.7 | 0 | 0 | 0 | 110.7 | E138 R186 A193 A194 | E138-D190 HydrophobicContact CG-CB 4.4Å; R186-D190 PolarHBondContact O-N 2.76Å; D190-A193 PolarHBondContact O-N 2.74Å; D190-A194 WeakPolarHBondContact O-CB 3.34Å; D190-A194 PolarHBondContact O-N 3.38Å |
| 191 | Y | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 171.9 | 171.5 | -124.3 | 0 | 0 | 0 | 113.4 | I135 I139 Y142 A187 A193 A194 L195 | I135-Y191 HydrophobicContact CD1-CE2 4.48Å; I135-Y191 HydrophobicContact CG1-CE2 4.33Å; I139-Y191 HydrophobicContact CD1-CE2 4.13Å; I139-Y191 HydrophobicContact CG1-CD2 3.88Å; I139-Y191 HydrophobicContact CG1-CE2 3.35Å; Y142-Y191 HydrophobicContact CD1-CD1 4.3Å; Y142-Y191 HydrophobicContact CD2-CD1 4.37Å; Y142-Y191 HydrophobicContact CG-CD1 4.14Å; Y142-Y191 HydrophobicContact CG-CG 4.43Å; A187-Y191 WeakPolarHBondContact O-CB 3.37Å; A187-Y191 PolarHBondContact O-N 2.93Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 3.19Å; Y191-A194 PolarHBondContact O-N 3.3Å; Y191-L195 HydrophobicContact CE2-CB 4.25Å; Y191-L195 WeakPolarHBondContact O-CB 3.46Å; Y191-L195 PolarHBondContact O-N 3.34Å |
| 192 | S | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112 | R188 K189 N196 | R188-S192 WeakPolarHBondContact O-CB 3.36Å; R188-S192 PolarHBondContact O-N 3.15Å; R188-S192 VanDerWaalsContact O-N 3.1Å; K189-S192 PolarHBondContact O-N 2.97Å; S192-N196 PolarHBondContact O-N 3.47Å; S192-N196 VanDerWaalsContact O-N 3.09Å; S192-N196 PolarHBondContact O-ND2 2.93Å; S192-N196 VanDerWaalsContact O-ND2 3.09Å |
| 193 | A | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 74.8 Ų | 74.8 | 49% | 0.488 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K189 D190 Y191 L195 N196 Q197 | K189-A193 PolarHBondContact O-N 3.3Å; D190-A193 PolarHBondContact O-N 2.74Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 3.19Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.31Å; A193-N196 PolarHBondContact O-N 2.88Å; A193-Q197 PolarHBondContact O-N 2.91Å |
| 194 | A | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 75 Ų | 75 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I134 E138 D190 Y191 Q197 F198 | I134-A194 HydrophobicContact CG2-CB 4.47Å; E138-A194 HydrophobicContact CB-CB 4.32Å; E138-A194 HydrophobicContact CG-CB 4.32Å; D190-A194 WeakPolarHBondContact O-CB 3.34Å; D190-A194 PolarHBondContact O-N 3.38Å; Y191-A194 PolarHBondContact O-N 3.3Å; A194-Q197 PolarHBondContact O-N 3.47Å; A194-F198 VanDerWaalsContact O-CB 3.25Å; A194-F198 WeakPolarHBondContact O-CB 3.28Å; A194-F198 PolarHBondContact O-N 2.63Å |
| 195 | L | 98 | Very high | 97 | Very high | 54 Ų | 54 | 74.4 Ų | 74.4 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.2 | 177.9 | 62.1 | 0 | 0 | 0 | 112.1 | I135 Y191 A193 F198 N199 | I135-L195 HydrophobicContact CD1-CB 4.16Å; I135-L195 HydrophobicContact CD1-CD1 3.7Å; Y191-L195 HydrophobicContact CE2-CB 4.25Å; Y191-L195 WeakPolarHBondContact O-CB 3.46Å; Y191-L195 PolarHBondContact O-N 3.34Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.31Å; L195-F198 PolarHBondContact O-N 3.02Å; L195-N199 WeakPolarHBondContact CD1-ND2 3.49Å; L195-N199 WeakPolarHBondContact O-CB 3.42Å; L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 2.88Å; L195-N199 PolarHBondContact O-ND2 2.94Å; L195-N199 VanDerWaalsContact O-ND2 3.16Å |
| 196 | N | 97.5 | Very high | 96.7 | Very high | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 176.5 | -71.8 | -33.7 | 0 | 0 | 0 | 111.5 | S192 A193 N199 L200 | S192-N196 PolarHBondContact O-N 3.47Å; S192-N196 VanDerWaalsContact O-N 3.09Å; S192-N196 PolarHBondContact O-ND2 2.93Å; S192-N196 VanDerWaalsContact O-ND2 3.09Å; A193-N196 PolarHBondContact O-N 2.88Å; N196-N199 PolarHBondContact O-N 3.07Å; N196-L200 WeakPolarHBondContact O-CG 3.32Å; N196-L200 PolarHBondContact O-N 3.14Å |
| 197 | Q | 97.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 73.2 Ų | 73.2 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175.7 | 179.3 | 176.5 | -26.6 | 0 | 0 | 112.1 | A193 A194 N199 L200 Y201 | A193-Q197 PolarHBondContact O-N 2.91Å; A194-Q197 PolarHBondContact O-N 3.47Å; Q197-N199 PolarHBondContact O-N 3.41Å; Q197-L200 PolarHBondContact O-N 3.4Å; Q197-Y201 WeakPolarHBondContact O-CB 3.45Å; Q197-Y201 PolarHBondContact O-N 2.97Å |
| 198 | F | 97.9 | Very high | 96.1 | Very high | 26 Ų | 26 | 80.1 Ų | 80.1 | 11% | 0.114 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -42 | 178.6 | 178.3 | -102.8 | 0 | 0 | 0 | 112 | Q131 I135 A194 L195 Y201 R202 | Q131-F198 HydrophobicContact CB-CD2 4.12Å; I135-F198 HydrophobicContact CB-CB 4.37Å; I135-F198 HydrophobicContact CB-CG 4.35Å; I135-F198 HydrophobicContact CD1-CB 3.92Å; I135-F198 HydrophobicContact CD1-CD1 3.9Å; I135-F198 HydrophobicContact CD1-CG 4.02Å; I135-F198 HydrophobicContact CG2-CB 4.43Å; I135-F198 HydrophobicContact CG2-CD1 4.23Å; I135-F198 HydrophobicContact CG2-CD2 3.79Å; I135-F198 HydrophobicContact CG2-CE1 4.45Å; I135-F198 HydrophobicContact CG2-CE2 4.06Å; I135-F198 HydrophobicContact CG2-CG 3.88Å; I135-F198 HydrophobicContact CG2-CZ 4.38Å; A194-F198 VanDerWaalsContact O-CB 3.25Å; A194-F198 WeakPolarHBondContact O-CB 3.28Å; A194-F198 PolarHBondContact O-N 2.63Å; L195-F198 PolarHBondContact O-N 3.02Å; F198-Y201 PolarHBondContact O-N 3.38Å; F198-R202 WeakPolarHBondContact O-CB 3.29Å; F198-R202 PolarHBondContact O-N 3.41Å |
| 199 | N | 97.3 | Very high | 95.8 | Very high | 73 Ų | 73 | 75.4 Ų | 75.4 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 178.1 | -74.6 | -29.3 | 0 | 0 | 0 | 112.2 | L195 N196 Q197 R202 Q203 | L195-N199 WeakPolarHBondContact CD1-ND2 3.49Å; L195-N199 WeakPolarHBondContact O-CB 3.42Å; L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 2.88Å; L195-N199 PolarHBondContact O-ND2 2.94Å; L195-N199 VanDerWaalsContact O-ND2 3.16Å; N196-N199 PolarHBondContact O-N 3.07Å; Q197-N199 PolarHBondContact O-N 3.41Å; N199-R202 PolarHBondContact O-N 2.9Å; N199-Q203 WeakPolarHBondContact O-CB 3.38Å; N199-Q203 PolarHBondContact O-N 2.64Å |
| 200 | L | 96.5 | Very high | 95.5 | Very high | 119 Ų | 119 | 69.1 Ų | 69.1 | 62% | 0.623 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -48.9 | 174.1 | -72.2 | 169.6 | 0 | 0 | 0 | 111.5 | N196 Q197 R202 Q203 D204 | N196-L200 WeakPolarHBondContact O-CG 3.32Å; N196-L200 PolarHBondContact O-N 3.14Å; Q197-L200 PolarHBondContact O-N 3.4Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 2.7Å; L200-Q203 PolarHBondContact O-N 3.08Å; L200-D204 WeakPolarHBondContact O-CB 3.49Å; L200-D204 PolarHBondContact O-N 3.48Å |
| 201 | Y | 96.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.3 | -179.2 | -88.7 | 0 | 0 | 0 | 111.8 | E127 L128 Q131 Q197 F198 Q203 D204 Y205 | E127-Y201 WeakPolarHBondContact CB-OH 3.4Å; E127-Y201 HydrophobicContact CG-CE2 3.73Å; E127-Y201 WeakPolarHBondContact CG-OH 3.42Å; L128-Y201 HydrophobicContact CB-CE1 4.28Å; L128-Y201 HydrophobicContact CD1-CD1 4.32Å; L128-Y201 HydrophobicContact CD1-CE1 3.97Å; Q131-Y201 HydrophobicContact CB-CD1 4.04Å; Q131-Y201 HydrophobicContact CB-CE1 4.49Å; Q131-Y201 HydrophobicContact CB-CG 4.4Å; Q131-Y201 HydrophobicContact CG-CD1 3.8Å; Q131-Y201 HydrophobicContact CG-CD2 4.09Å; Q131-Y201 HydrophobicContact CG-CE1 4.13Å; Q131-Y201 HydrophobicContact CG-CE2 4.38Å; Q131-Y201 HydrophobicContact CG-CG 3.8Å; Q197-Y201 WeakPolarHBondContact O-CB 3.45Å; Q197-Y201 PolarHBondContact O-N 2.97Å; F198-Y201 PolarHBondContact O-N 3.38Å; Y201-Q203 PolarHBondContact O-N 3.15Å; Y201-D204 PolarHBondContact O-N 3Å; Y201-Y205 HydrophobicContact CE1-CD2 4.1Å; Y201-Y205 HydrophobicContact CE1-CG 4.28Å; Y201-Y205 VanDerWaalsContact O-CB 3.23Å; Y201-Y205 WeakPolarHBondContact O-CB 3.27Å; Y201-Y205 PolarHBondContact O-N 2.72Å |
| 202 | R | 94.1 | Very high | 94.8 | Very high | 130 Ų | 130 | 67.7 Ų | 67.7 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.8 | -177.8 | 177.3 | 177.9 | 176.1 | 0.4 | 111.4 | F198 N199 L200 Y206 | F198-R202 WeakPolarHBondContact O-CB 3.29Å; F198-R202 PolarHBondContact O-N 3.41Å; N199-R202 PolarHBondContact O-N 2.9Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 2.7Å; R202-Y206 HydrophobicContact CG-CD2 3.84Å; R202-Y206 HydrophobicContact CG-CE2 3.92Å; R202-Y206 VanDerWaalsContact O-CD2 3.27Å; R202-Y206 WeakPolarHBondContact O-CD2 3.17Å; R202-Y206 PolarHBondContact O-N 2.84Å; R202-Y206 VanDerWaalsContact O-N 3.13Å |
| 203 | Q | 93.9 | Very high | 94.6 | Very high | 123 Ų | 123 | 65.5 Ų | 65.5 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.9 | -50.1 | 175.2 | -174.9 | 178.6 | -3.5 | 0 | 0 | 110.8 | N199 L200 Y201 Y205 Y206 F207 | N199-Q203 WeakPolarHBondContact O-CB 3.38Å; N199-Q203 PolarHBondContact O-N 2.64Å; L200-Q203 PolarHBondContact O-N 3.08Å; Y201-Q203 PolarHBondContact O-N 3.15Å; Q203-Y205 PolarHBondContact O-N 3.06Å; Q203-Y206 PolarHBondContact O-N 3.12Å; Q203-F207 HydrophobicContact CG-CD2 3.93Å; Q203-F207 WeakPolarHBondContact O-CB 3.44Å; Q203-F207 WeakPolarHBondContact O-CD2 3.47Å; Q203-F207 PolarHBondContact O-N 3.08Å |
| 204 | D | 93.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.6 | -174.1 | 79.1 | 0 | 0 | 0 | 112.9 | L200 Y201 R208 C209 | L200-D204 WeakPolarHBondContact O-CB 3.49Å; L200-D204 PolarHBondContact O-N 3.48Å; Y201-D204 PolarHBondContact O-N 3Å; D204-R208 VanDerWaalsContact CG-NH2 3.3Å; D204-R208 WeakPolarHBondContact O-CA 3.43Å; D204-R208 WeakPolarHBondContact O-CB 3.24Å; D204-R208 PolarHBondContact O-N 3Å; D204-R208 IonicContact OD1-CZ 2.7Å; D204-R208 IonicContact OD1-NE 3.61Å; D204-R208 PolarHBondContact OD1-NE 3.14Å; D204-R208 IonicContact OD1-NH2 2.81Å; D204-R208 PolarHBondContact OD1-NH2 3.45Å; D204-R208 VanDerWaalsContact OD1-NH2 3.1Å; D204-R208 IonicContact OD2-CZ 3.93Å; D204-R208 IonicContact OD2-NE 2.73Å; D204-R208 IonicContact OD2-NH2 3.94Å; D204-R208 PolarHBondContact OD2-NH2 3Å; D204-C209 PolarHBondContact O-N 2.82Å; D204-C209 PolarHBondContact OD2-SG 3.2Å |
| 205 | Y | 93.9 | Very high | 94 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -59.6 | -52.6 | 178.2 | 173.9 | -85.9 | 0 | 0 | 0 | 111.8 | R121 L124 L128 Y201 Q203 L210 | R121-Y205 PolarHBondContact NH1-OH 3.49Å; R121-Y205 PolarHBondContact NH2-OH 2.95Å; L124-Y205 HydrophobicContact CB-CE2 4.06Å; L124-Y205 WeakPolarHBondContact O-CE2 3.42Å; L128-Y205 HydrophobicContact CB-CD2 4.27Å; L128-Y205 HydrophobicContact CB-CE2 3.93Å; L128-Y205 HydrophobicContact CD2-CD1 4.36Å; L128-Y205 HydrophobicContact CD2-CE1 3.78Å; L128-Y205 HydrophobicContact CD2-CE2 4.14Å; Y201-Y205 HydrophobicContact CE1-CD2 4.1Å; Y201-Y205 HydrophobicContact CE1-CG 4.28Å; Y201-Y205 VanDerWaalsContact O-CB 3.23Å; Y201-Y205 WeakPolarHBondContact O-CB 3.27Å; Y201-Y205 PolarHBondContact O-N 2.72Å; Q203-Y205 PolarHBondContact O-N 3.06Å; Y205-L210 HydrophobicContact CE1-CD2 4.06Å; Y205-L210 WeakPolarHBondContact O-CB 3.36Å; Y205-L210 PolarHBondContact O-N 3.35Å |
| 206 | Y | 91.7 | Very high | 93.8 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 26% | 0.255 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -79.4 | -31.6 | -174.9 | -75.7 | -70.3 | 0 | 0 | 0 | 113.7 | W11 R202 Q203 L210 P211 | W11-Y206 HydrophobicContact CD2-CE1 4.48Å; W11-Y206 HydrophobicContact CE3-CD1 4.13Å; W11-Y206 AromaticContact CE3-CE1 3.56Å; W11-Y206 HydrophobicContact CE3-CE1 3.56Å; W11-Y206 AromaticContact CZ3-CE1 3.75Å; W11-Y206 HydrophobicContact CZ3-CE1 3.75Å; R202-Y206 HydrophobicContact CG-CD2 3.84Å; R202-Y206 HydrophobicContact CG-CE2 3.92Å; R202-Y206 VanDerWaalsContact O-CD2 3.27Å; R202-Y206 WeakPolarHBondContact O-CD2 3.17Å; R202-Y206 PolarHBondContact O-N 2.84Å; R202-Y206 VanDerWaalsContact O-N 3.13Å; Q203-Y206 PolarHBondContact O-N 3.12Å; Y206-L210 HydrophobicContact CD1-CD2 4.08Å; Y206-L210 HydrophobicContact CE1-CD2 4.33Å; Y206-P211 VanDerWaalsContact O-CD 3.28Å; Y206-P211 WeakPolarHBondContact O-CD 3.49Å; Y206-P211 WeakPolarHBondContact O-CG 3.45Å |
| 207 | F | 91 | Very high | 93.7 | Very high | 132 Ų | 132 | 62.7 Ų | 62.7 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -102.1 | -15.4 | -175.2 | -64.7 | -74.2 | 0 | 0 | 0 | 114.9 | L4 Q203 | L4-F207 HydrophobicContact CD1-CE1 4.49Å; L4-F207 HydrophobicContact CD2-CD1 4.22Å; Q203-F207 HydrophobicContact CG-CD2 3.93Å; Q203-F207 WeakPolarHBondContact O-CB 3.44Å; Q203-F207 WeakPolarHBondContact O-CD2 3.47Å; Q203-F207 PolarHBondContact O-N 3.08Å |
| 208 | R | 91.3 | Very high | 93.4 | Very high | 147 Ų | 147 | 61.4 Ų | 61.4 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | I | π-helix | trans | -123.7 | -59.6 | 176.1 | -170.2 | -176 | 63.5 | 84.2 | 6.6 | 113.5 | D204 S212 | D204-R208 VanDerWaalsContact CG-NH2 3.3Å; D204-R208 WeakPolarHBondContact O-CA 3.43Å; D204-R208 WeakPolarHBondContact O-CB 3.24Å; D204-R208 PolarHBondContact O-N 3Å; D204-R208 IonicContact OD1-CZ 2.7Å; D204-R208 IonicContact OD1-NE 3.61Å; D204-R208 PolarHBondContact OD1-NE 3.14Å; D204-R208 IonicContact OD1-NH2 2.81Å; D204-R208 PolarHBondContact OD1-NH2 3.45Å; D204-R208 VanDerWaalsContact OD1-NH2 3.1Å; D204-R208 IonicContact OD2-CZ 3.93Å; D204-R208 IonicContact OD2-NE 2.73Å; D204-R208 IonicContact OD2-NH2 3.94Å; D204-R208 PolarHBondContact OD2-NH2 3Å; R208-S212 WeakPolarHBondContact O-CB 3.36Å; R208-S212 PolarHBondContact O-N 3.33Å |
| 209 | C | 93.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -66.3 | -49.4 | -171.2 | -71.9 | 0 | 0 | 0 | 0 | 113.2 | L124 D204 S212 W213 | L124-C209 HydrophobicContact CD1-CB 4.45Å; L124-C209 HydrophobicContact CD2-CB 3.81Å; D204-C209 PolarHBondContact O-N 2.82Å; D204-C209 PolarHBondContact OD2-SG 3.2Å; C209-S212 PolarHBondContact O-N 3.16Å; C209-W213 PolarHBondContact O-N 3.41Å |
| 210 | L | 92.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.2 | -40.8 | -178.1 | -177.3 | 61.2 | 0 | 0 | 0 | 113 | W11 Y205 Y206 W213 A214 | W11-L210 HydrophobicContact CB-CD2 3.76Å; Y205-L210 HydrophobicContact CE1-CD2 4.06Å; Y205-L210 WeakPolarHBondContact O-CB 3.36Å; Y205-L210 PolarHBondContact O-N 3.35Å; Y206-L210 HydrophobicContact CD1-CD2 4.08Å; Y206-L210 HydrophobicContact CE1-CD2 4.33Å; L210-W213 HydrophobicContact CD1-CE3 3.76Å; L210-W213 HydrophobicContact CD1-CZ3 4.24Å; L210-W213 PolarHBondContact O-N 2.93Å; L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 3.49Å |
| 211 | P | 90.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 169.3 | -27 | 37.1 | 0 | 0 | 0 | 113.4 | V8 Y206 A214 Q215 | V8-P211 HydrophobicContact CG2-CB 3.94Å; V8-P211 HydrophobicContact CG2-CG 3.87Å; Y206-P211 VanDerWaalsContact O-CD 3.28Å; Y206-P211 WeakPolarHBondContact O-CD 3.49Å; Y206-P211 WeakPolarHBondContact O-CG 3.45Å; P211-A214 PolarHBondContact O-N 2.95Å; P211-Q215 WeakPolarHBondContact O-CB 3.29Å; P211-Q215 PolarHBondContact O-N 3.32Å |
| 212 | S | 91 | Very high | 93 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | R208 C209 A214 Q215 V216 | R208-S212 WeakPolarHBondContact O-CB 3.36Å; R208-S212 PolarHBondContact O-N 3.33Å; C209-S212 PolarHBondContact O-N 3.16Å; S212-A214 PolarHBondContact O-N 3.1Å; S212-Q215 PolarHBondContact O-N 3.36Å; S212-V216 PolarHBondContact O-N 2.74Å |
| 213 | W | 94.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 173.6 | 171.6 | 80.2 | 0 | 0 | 0 | 112.7 | A14 F17 I18 W117 R121 L124 C209 L210 V216 G217 | A14-W213 HydrophobicContact CB-CH2 3.7Å; A14-W213 HydrophobicContact CB-CZ3 3.88Å; F17-W213 AromaticContact CD1-CH2 3.91Å; F17-W213 HydrophobicContact CD1-CH2 3.91Å; F17-W213 HydrophobicContact CD1-CZ3 4.03Å; I18-W213 HydrophobicContact CD1-CH2 4.49Å; I18-W213 HydrophobicContact CD1-CZ2 4.09Å; I18-W213 HydrophobicContact CG1-CH2 4.38Å; I18-W213 HydrophobicContact CG1-CZ2 4.06Å; W117-W213 AromaticContact CD1-CD1 3.78Å; W117-W213 AromaticContact CD1-NE1 3.59Å; W117-W213 HydrophobicContact CD2-CZ2 4.38Å; W117-W213 AromaticContact CD2-NE1 3.91Å; W117-W213 AromaticContact CE2-CE2 3.48Å; W117-W213 VanDerWaalsContact CE2-CE2 3.48Å; W117-W213 AromaticContact CE2-CZ2 3.61Å; W117-W213 AromaticContact CE2-NE1 3.42Å; W117-W213 AromaticContact CH2-CH2 3.9Å; W117-W213 HydrophobicContact CH2-CH2 3.9Å; W117-W213 AromaticContact CH2-CZ2 3.48Å; W117-W213 HydrophobicContact CH2-CZ2 3.48Å; W117-W213 VanDerWaalsContact CH2-CZ2 3.48Å; W117-W213 HydrophobicContact CZ2-CD2 4.24Å; W117-W213 AromaticContact CZ2-CE2 3.46Å; W117-W213 VanDerWaalsContact CZ2-CE2 3.46Å; W117-W213 AromaticContact CZ2-CH2 3.6Å; W117-W213 HydrophobicContact CZ2-CH2 3.6Å; W117-W213 AromaticContact CZ2-CZ2 3.11Å; W117-W213 HydrophobicContact CZ2-CZ2 3.11Å; W117-W213 HydrophobicContact CZ2-CZ3 4.31Å; W117-W213 AromaticContact CZ2-NE1 3.92Å; W117-W213 HydrophobicContact CZ3-CZ2 4.25Å; W117-W213 AromaticContact NE1-CD1 3.52Å; W117-W213 AromaticContact NE1-CD2 4Å; W117-W213 AromaticContact NE1-CE2 3.55Å; W117-W213 AromaticContact NE1-CG 3.99Å; W117-W213 AromaticContact NE1-NE1 3.2Å; W117-W213 VanDerWaalsContact NE1-NE1 3.2Å; W117-W213 PolarHBondContact NE1-O 3.28Å; W117-W213 PolarHBondContact O-NE1 3.42Å; R121-W213 HydrophobicContact CB-CZ2 3.75Å; R121-W213 HydrophobicContact CG-CH2 4.24Å; R121-W213 HydrophobicContact CG-CZ2 3.78Å; L124-W213 HydrophobicContact CD1-CB 4.08Å; L124-W213 HydrophobicContact CD1-CG 4.44Å; C209-W213 PolarHBondContact O-N 3.41Å; L210-W213 HydrophobicContact CD1-CE3 3.76Å; L210-W213 HydrophobicContact CD1-CZ3 4.24Å; L210-W213 PolarHBondContact O-N 2.93Å; W213-V216 PolarHBondContact O-N 3.29Å; W213-G217 PolarHBondContact O-N 2.76Å; W213-G217 VanDerWaalsContact O-N 3.13Å |
| 214 | A | 92.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W7 L210 P211 S212 G217 K218 | W7-A214 HydrophobicContact CB-CB 4.18Å; L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 3.49Å; P211-A214 PolarHBondContact O-N 2.95Å; S212-A214 PolarHBondContact O-N 3.1Å; A214-G217 PolarHBondContact O-N 2.67Å; A214-K218 PolarHBondContact O-N 3.37Å |
| 215 | Q | 91.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 175.2 | 178.7 | 62.4 | 24.8 | 0 | 0 | 112.5 | P211 S212 K218 S219 | P211-Q215 WeakPolarHBondContact O-CB 3.29Å; P211-Q215 PolarHBondContact O-N 3.32Å; S212-Q215 PolarHBondContact O-N 3.36Å; Q215-K218 WeakPolarHBondContact O-CB 3.33Å; Q215-K218 PolarHBondContact O-N 2.89Å; Q215-S219 PolarHBondContact O-N 2.9Å; Q215-S219 PolarHBondContact O-OG 3.3Å |
| 216 | V | 93.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 170.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | W117 S212 W213 K218 S219 L220 | W117-V216 HydrophobicContact CG-CG1 4.48Å; S212-V216 PolarHBondContact O-N 2.74Å; W213-V216 PolarHBondContact O-N 3.29Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 3.2Å; V216-S219 WeakPolarHBondContact CA-OG 3.34Å; V216-S219 PolarHBondContact O-N 3.46Å; V216-S219 VanDerWaalsContact O-N 3.09Å; V216-S219 PolarHBondContact O-OG 2.89Å; V216-L220 PolarHBondContact O-N 3.31Å; V216-L220 VanDerWaalsContact O-N 3.09Å |
| 217 | G | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H21 W213 A214 S219 L220 E221 | H21-G217 PolarHBondContact CE1-O 3.17Å; H21-G217 PolarHBondContact NE2-O 3.45Å; W213-G217 PolarHBondContact O-N 2.76Å; W213-G217 VanDerWaalsContact O-N 3.13Å; A214-G217 PolarHBondContact O-N 2.67Å; G217-S219 VanDerWaalsContact C-N 3.3Å; G217-S219 PolarHBondContact O-N 3.15Å; G217-L220 WeakPolarHBondContact O-CB 3.21Å; G217-L220 PolarHBondContact O-N 3.25Å; G217-L220 VanDerWaalsContact O-N 3.11Å; G217-E221 PolarHBondContact O-N 3.19Å; G217-E221 VanDerWaalsContact O-N 3.09Å |
| 218 | K | 92.2 | Very high | 93.7 | Very high | 75 Ų | 75 | 51.7 Ų | 51.7 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.1 | -43.8 | 172.5 | -173.8 | -164.6 | -175.8 | -173.5 | 0 | 112.5 | W7 A214 Q215 V216 E221 V222 | W7-K218 HydrophobicContact CD2-CB 4.18Å; W7-K218 HydrophobicContact CD2-CD 4.43Å; W7-K218 HydrophobicContact CD2-CG 4.39Å; W7-K218 HydrophobicContact CE3-CB 4.34Å; W7-K218 HydrophobicContact CH2-CB 4.31Å; W7-K218 HydrophobicContact CH2-CG 4.24Å; W7-K218 HydrophobicContact CZ2-CB 4.14Å; W7-K218 HydrophobicContact CZ2-CD 4.12Å; W7-K218 HydrophobicContact CZ2-CG 3.69Å; W7-K218 HydrophobicContact CZ3-CB 4.41Å; A214-K218 PolarHBondContact O-N 3.37Å; Q215-K218 WeakPolarHBondContact O-CB 3.33Å; Q215-K218 PolarHBondContact O-N 2.89Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 3.2Å; K218-E221 PolarHBondContact O-N 3.43Å; K218-V222 WeakPolarHBondContact O-CG2 3.22Å; K218-V222 PolarHBondContact O-N 2.7Å |
| 219 | S | 94.1 | Very high | 94 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 178.9 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | Q215 V216 G217 E221 V222 E223 | Q215-S219 PolarHBondContact O-N 2.9Å; Q215-S219 PolarHBondContact O-OG 3.3Å; V216-S219 WeakPolarHBondContact CA-OG 3.34Å; V216-S219 PolarHBondContact O-N 3.46Å; V216-S219 VanDerWaalsContact O-N 3.09Å; V216-S219 PolarHBondContact O-OG 2.89Å; G217-S219 VanDerWaalsContact C-N 3.3Å; G217-S219 PolarHBondContact O-N 3.15Å; S219-E221 VanDerWaalsContact C-N 3.32Å; S219-E221 PolarHBondContact O-N 3.48Å; S219-V222 PolarHBondContact O-N 3.14Å; S219-E223 PolarHBondContact O-N 2.93Å |
| 220 | L | 95.5 | Very high | 94 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.6 | -63.1 | 175.3 | 0 | 0 | 0 | 111.6 | Q113 W117 V216 G217 E223 R224 | Q113-L220 HydrophobicContact CB-CD2 3.8Å; Q113-L220 HydrophobicContact CG-CD2 4.47Å; W117-L220 HydrophobicContact CB-CD1 3.82Å; W117-L220 HydrophobicContact CD2-CD1 4.3Å; W117-L220 HydrophobicContact CG-CD1 3.92Å; V216-L220 PolarHBondContact O-N 3.31Å; V216-L220 VanDerWaalsContact O-N 3.09Å; G217-L220 WeakPolarHBondContact O-CB 3.21Å; G217-L220 PolarHBondContact O-N 3.25Å; G217-L220 VanDerWaalsContact O-N 3.11Å; L220-E223 PolarHBondContact O-N 2.82Å; L220-R224 PolarHBondContact O-N 3.11Å; L220-R224 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 94.2 | Very high | 94 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.8 | -156.4 | 57.8 | -133.9 | 0 | 0 | 111.6 | Y20 H21 G217 K218 S219 E223 R224 Y225 | Y20-E221 HydrophobicContact CE1-CG 4.3Å; H21-E221 IonicContact CE1-OE2 2.68Å; H21-E221 PolarHBondContact CE1-OE2 2.7Å; H21-E221 IonicContact CG-OE2 3.51Å; H21-E221 IonicContact ND1-OE2 3.12Å; H21-E221 PolarHBondContact ND1-OE2 3.15Å; G217-E221 PolarHBondContact O-N 3.19Å; G217-E221 VanDerWaalsContact O-N 3.09Å; K218-E221 PolarHBondContact O-N 3.43Å; S219-E221 VanDerWaalsContact C-N 3.32Å; S219-E221 PolarHBondContact O-N 3.48Å; E221-E223 VanDerWaalsContact C-N 3.34Å; E221-E223 PolarHBondContact O-N 3.29Å; E221-R224 PolarHBondContact O-N 3.11Å; E221-R224 IonicContact OE1-CZ 3.35Å; E221-R224 IonicContact OE1-NE 3.06Å; E221-R224 IonicContact OE1-NH1 3.55Å; E221-R224 PolarHBondContact OE1-NH1 2.71Å; E221-R224 IonicContact OE2-CZ 3.73Å; E221-R224 IonicContact OE2-NH1 2.7Å; E221-R224 PolarHBondContact OE2-NH1 3.47Å; E221-R224 IonicContact OE2-NH2 3.17Å; E221-Y225 HydrophobicContact CG-CD2 4.24Å; E221-Y225 HydrophobicContact CG-CE2 4.13Å; E221-Y225 VanDerWaalsContact O-CD2 3.29Å; E221-Y225 WeakPolarHBondContact O-CD2 3.4Å; E221-Y225 PolarHBondContact O-N 2.91Å; E221-Y225 WeakPolarHBondContact OE1-CE2 3.18Å |
| 222 | V | 95 | Very high | 94.2 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | K218 S219 Y225 T226 | K218-V222 WeakPolarHBondContact O-CG2 3.22Å; K218-V222 PolarHBondContact O-N 2.7Å; S219-V222 PolarHBondContact O-N 3.14Å; V222-Y225 PolarHBondContact O-N 3.47Å; V222-T226 WeakPolarHBondContact O-CB 3.44Å; V222-T226 PolarHBondContact O-N 3.4Å; V222-T226 PolarHBondContact O-OG1 3.32Å |
| 223 | E | 95.7 | Very high | 94.3 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 29% | 0.29 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.7 | -163 | -166.6 | 149.4 | 0 | 0 | 111.8 | Q113 S219 L220 E221 R227 | Q113-E223 PolarHBondContact NE2-OE2 3.15Å; S219-E223 PolarHBondContact O-N 2.93Å; L220-E223 PolarHBondContact O-N 2.82Å; E221-E223 VanDerWaalsContact C-N 3.34Å; E221-E223 PolarHBondContact O-N 3.29Å; E223-R227 VanDerWaalsContact O-CB 3.28Å; E223-R227 WeakPolarHBondContact O-CB 3.43Å; E223-R227 PolarHBondContact O-N 3.4Å; E223-R227 IonicContact OE1-CZ 3.72Å; E223-R227 IonicContact OE1-NH1 2.94Å; E223-R227 PolarHBondContact OE1-NH1 3.42Å; E223-R227 IonicContact OE1-NH2 3.34Å; E223-R227 PolarHBondContact OE1-NH2 3.46Å |
| 224 | R | 96.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 173.8 | 178.3 | -166.5 | -63 | 150 | 4.1 | 111.5 | H21 E110 L220 E221 R227 T228 | H21-R224 PolarHBondContact O-NH2 2.92Å; E110-R224 IonicContact OE1-CZ 3.7Å; E110-R224 IonicContact OE1-NE 2.72Å; E110-R224 PolarHBondContact OE1-NE 3.09Å; E110-R224 IonicContact OE1-NH2 2.73Å; E110-R224 PolarHBondContact OE1-NH2 3.14Å; L220-R224 PolarHBondContact O-N 3.11Å; L220-R224 VanDerWaalsContact O-N 3.09Å; E221-R224 PolarHBondContact O-N 3.11Å; E221-R224 IonicContact OE1-CZ 3.35Å; E221-R224 IonicContact OE1-NE 3.06Å; E221-R224 IonicContact OE1-NH1 3.55Å; E221-R224 PolarHBondContact OE1-NH1 2.71Å; E221-R224 IonicContact OE2-CZ 3.73Å; E221-R224 IonicContact OE2-NH1 2.7Å; E221-R224 PolarHBondContact OE2-NH1 3.47Å; E221-R224 IonicContact OE2-NH2 3.17Å; R224-R227 PolarHBondContact O-N 3.35Å; R224-T228 WeakPolarHBondContact O-CB 3.39Å; R224-T228 PolarHBondContact O-N 3.42Å; R224-T228 PolarHBondContact O-OG1 3.01Å |
| 225 | Y | 96.2 | Very high | 94.2 | Very high | 127 Ų | 127 | 57.6 Ų | 57.6 | 50% | 0.498 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | -178.9 | -91.4 | -111.7 | 0 | 0 | 0 | 111.7 | E221 V222 R227 T228 Q229 | E221-Y225 HydrophobicContact CG-CD2 4.24Å; E221-Y225 HydrophobicContact CG-CE2 4.13Å; E221-Y225 VanDerWaalsContact O-CD2 3.29Å; E221-Y225 WeakPolarHBondContact O-CD2 3.4Å; E221-Y225 PolarHBondContact O-N 2.91Å; E221-Y225 WeakPolarHBondContact OE1-CE2 3.18Å; V222-Y225 PolarHBondContact O-N 3.47Å; Y225-R227 PolarHBondContact O-N 3.09Å; Y225-T228 PolarHBondContact O-N 3Å; Y225-Q229 WeakPolarHBondContact O-CB 3.22Å; Y225-Q229 VanDerWaalsContact O-CG 3.31Å; Y225-Q229 WeakPolarHBondContact O-CG 3.36Å; Y225-Q229 PolarHBondContact O-N 3.28Å |
| 226 | T | 96.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | V222 T228 Q229 S230 | V222-T226 WeakPolarHBondContact O-CB 3.44Å; V222-T226 PolarHBondContact O-N 3.4Å; V222-T226 PolarHBondContact O-OG1 3.32Å; T226-T228 PolarHBondContact O-N 3.37Å; T226-Q229 PolarHBondContact O-N 3.5Å; T226-S230 PolarHBondContact O-N 3.09Å; T226-S230 PolarHBondContact O-OG 2.95Å |
| 227 | R | 93.7 | Very high | 94.2 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.4 | -174.5 | 174.4 | -75 | 119.2 | 0.2 | 112.3 | E223 R224 Y225 S230 L231 | E223-R227 VanDerWaalsContact O-CB 3.28Å; E223-R227 WeakPolarHBondContact O-CB 3.43Å; E223-R227 PolarHBondContact O-N 3.4Å; E223-R227 IonicContact OE1-CZ 3.72Å; E223-R227 IonicContact OE1-NH1 2.94Å; E223-R227 PolarHBondContact OE1-NH1 3.42Å; E223-R227 IonicContact OE1-NH2 3.34Å; E223-R227 PolarHBondContact OE1-NH2 3.46Å; R224-R227 PolarHBondContact O-N 3.35Å; Y225-R227 PolarHBondContact O-N 3.09Å; R227-S230 PolarHBondContact O-N 2.95Å; R227-L231 PolarHBondContact O-N 3.35Å |
| 228 | T | 95.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.1 | -55 | 0 | 0 | 0 | 0 | 110.9 | L31 R224 Y225 T226 L231 I232 | L31-T228 HydrophobicContact CD2-CG2 3.84Å; R224-T228 WeakPolarHBondContact O-CB 3.39Å; R224-T228 PolarHBondContact O-N 3.42Å; R224-T228 PolarHBondContact O-OG1 3.01Å; Y225-T228 PolarHBondContact O-N 3Å; T226-T228 PolarHBondContact O-N 3.37Å; T228-L231 PolarHBondContact O-N 2.83Å; T228-I232 WeakPolarHBondContact O-CG1 3.44Å; T228-I232 PolarHBondContact O-N 3.26Å |
| 229 | Q | 96.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.6 | -73.3 | 170.8 | -16.4 | 0 | 0 | 112.2 | Y225 T226 L231 I232 N233 | Y225-Q229 WeakPolarHBondContact O-CB 3.22Å; Y225-Q229 VanDerWaalsContact O-CG 3.31Å; Y225-Q229 WeakPolarHBondContact O-CG 3.36Å; Y225-Q229 PolarHBondContact O-N 3.28Å; T226-Q229 PolarHBondContact O-N 3.5Å; Q229-L231 PolarHBondContact O-N 2.81Å; Q229-I232 PolarHBondContact O-N 2.85Å; Q229-N233 WeakPolarHBondContact O-CB 3.34Å; Q229-N233 VanDerWaalsContact O-CG 3.22Å; Q229-N233 PolarHBondContact O-N 2.85Å; Q229-N233 PolarHBondContact O-ND2 3.09Å; Q229-N233 VanDerWaalsContact O-ND2 3.09Å |
| 230 | S | 93.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -45 | 174.3 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | T226 R227 N233 I234 | T226-S230 PolarHBondContact O-N 3.09Å; T226-S230 PolarHBondContact O-OG 2.95Å; R227-S230 PolarHBondContact O-N 2.95Å; S230-N233 PolarHBondContact O-N 2.96Å; S230-I234 WeakPolarHBondContact O-CD1 3.45Å; S230-I234 VanDerWaalsContact O-CG1 3.29Å; S230-I234 WeakPolarHBondContact O-CG1 3.21Å; S230-I234 PolarHBondContact O-N 2.97Å; S230-I234 VanDerWaalsContact O-N 3.07Å |
| 231 | L | 92.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -51 | 176.1 | 175.9 | 61.5 | 0 | 0 | 0 | 111.7 | Y32 L35 H98 R227 T228 Q229 N233 I234 L235 | Y32-L231 HydrophobicContact CD1-CD2 4.48Å; Y32-L231 HydrophobicContact CE1-CD2 3.71Å; L35-L231 HydrophobicContact CD1-CD2 3.73Å; L35-L231 HydrophobicContact CD1-CG 4.43Å; H98-L231 HydrophobicContact CB-CD1 3.79Å; R227-L231 PolarHBondContact O-N 3.35Å; T228-L231 PolarHBondContact O-N 2.83Å; Q229-L231 PolarHBondContact O-N 2.81Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-N233 PolarHBondContact O-N 2.9Å; L231-I234 PolarHBondContact O-N 3Å; L231-L235 HydrophobicContact CD1-CD1 4.14Å; L231-L235 HydrophobicContact CD1-CG 4.27Å; L231-L235 HydrophobicContact CG-CD1 4.23Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.45Å |
| 232 | I | 93.6 | Very high | 94 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -179.7 | -64.1 | -61.2 | 0 | 0 | 0 | 111.6 | T228 Q229 I234 L235 Y236 | T228-I232 WeakPolarHBondContact O-CG1 3.44Å; T228-I232 PolarHBondContact O-N 3.26Å; Q229-I232 PolarHBondContact O-N 2.85Å; I232-I234 PolarHBondContact O-N 2.92Å; I232-L235 PolarHBondContact O-N 3.14Å; I232-Y236 WeakPolarHBondContact O-CB 3.34Å; I232-Y236 PolarHBondContact O-N 2.87Å |
| 233 | N | 94.1 | Very high | 94 | Very high | 102 Ų | 102 | 68.6 Ų | 68.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 175.8 | -74.8 | -33.1 | 0 | 0 | 0 | 112.5 | Q229 S230 L231 Y236 E237 | Q229-N233 WeakPolarHBondContact O-CB 3.34Å; Q229-N233 VanDerWaalsContact O-CG 3.22Å; Q229-N233 PolarHBondContact O-N 2.85Å; Q229-N233 PolarHBondContact O-ND2 3.09Å; Q229-N233 VanDerWaalsContact O-ND2 3.09Å; S230-N233 PolarHBondContact O-N 2.96Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-N233 PolarHBondContact O-N 2.9Å; N233-Y236 PolarHBondContact O-N 2.8Å; N233-E237 WeakPolarHBondContact O-CB 3.15Å; N233-E237 PolarHBondContact O-N 3.4Å |
| 234 | I | 91.7 | Very high | 94 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 35% | 0.349 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 175.3 | -69.7 | 162 | 0 | 0 | 0 | 110.9 | H98 S230 L231 I232 E237 R238 | H98-I234 WeakPolarHBondContact NE2-CG2 3.48Å; S230-I234 WeakPolarHBondContact O-CD1 3.45Å; S230-I234 VanDerWaalsContact O-CG1 3.29Å; S230-I234 WeakPolarHBondContact O-CG1 3.21Å; S230-I234 PolarHBondContact O-N 2.97Å; S230-I234 VanDerWaalsContact O-N 3.07Å; L231-I234 PolarHBondContact O-N 3Å; I232-I234 PolarHBondContact O-N 2.92Å; I234-E237 PolarHBondContact O-N 2.93Å; I234-R238 WeakPolarHBondContact O-CG 3.48Å; I234-R238 PolarHBondContact O-N 3.08Å |
| 235 | L | 92.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 178.4 | -62.8 | 177.8 | 0 | 0 | 0 | 112.1 | L35 F95 H98 L231 I232 R238 L239 | L35-L235 HydrophobicContact CD1-CD1 4.15Å; L35-L235 HydrophobicContact CD2-CD1 3.9Å; F95-L235 HydrophobicContact CD1-CD1 4.29Å; F95-L235 HydrophobicContact CD1-CD2 4.44Å; F95-L235 HydrophobicContact CD2-CD2 3.71Å; F95-L235 HydrophobicContact CE1-CD1 4.03Å; F95-L235 HydrophobicContact CE2-CB 4.23Å; F95-L235 HydrophobicContact CE2-CD2 3.9Å; F95-L235 HydrophobicContact CE2-CG 4.42Å; F95-L235 HydrophobicContact CG-CD2 4.01Å; F95-L235 HydrophobicContact CZ-CB 4.27Å; F95-L235 HydrophobicContact CZ-CD1 4.15Å; F95-L235 HydrophobicContact CZ-CD2 4.36Å; F95-L235 HydrophobicContact CZ-CG 4.49Å; H98-L235 HydrophobicContact CB-CD2 4.45Å; L231-L235 HydrophobicContact CD1-CD1 4.14Å; L231-L235 HydrophobicContact CD1-CG 4.27Å; L231-L235 HydrophobicContact CG-CD1 4.23Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.45Å; I232-L235 PolarHBondContact O-N 3.14Å; L235-R238 PolarHBondContact O-N 3.47Å; L235-L239 WeakPolarHBondContact O-CB 3.3Å; L235-L239 PolarHBondContact O-N 3.44Å |
| 236 | Y | 93.1 | Very high | 93.8 | Very high | 140 Ų | 140 | 69.7 Ų | 69.7 | 55% | 0.549 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 171 | 163.6 | -97.3 | 0 | 0 | 0 | 112.1 | I232 N233 R238 L239 R240 | I232-Y236 WeakPolarHBondContact O-CB 3.34Å; I232-Y236 PolarHBondContact O-N 2.87Å; N233-Y236 PolarHBondContact O-N 2.8Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 2.92Å; Y236-L239 PolarHBondContact O-N 2.91Å; Y236-L239 VanDerWaalsContact O-N 3.16Å; Y236-R240 PolarHBondContact O-N 3.46Å |
| 237 | E | 93 | Very high | 93.7 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.8 | -173.9 | 64.7 | -160.4 | 0 | 0 | 111.3 | N233 I234 R240 V241 | N233-E237 WeakPolarHBondContact O-CB 3.15Å; N233-E237 PolarHBondContact O-N 3.4Å; I234-E237 PolarHBondContact O-N 2.93Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-CZ 3.73Å; E237-R240 IonicContact OE1-NH1 2.76Å; E237-R240 PolarHBondContact OE1-NH1 3.35Å; E237-R240 VanDerWaalsContact OE1-NH1 3.16Å; E237-R240 IonicContact OE1-NH2 4Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 2.67Å; E237-R240 IonicContact OE2-NH1 2.75Å; E237-R240 PolarHBondContact OE2-NH1 2.92Å; E237-R240 IonicContact OE2-NH2 3.53Å; E237-V241 WeakPolarHBondContact O-CG2 3.14Å; E237-V241 PolarHBondContact O-N 3.03Å; E237-V241 VanDerWaalsContact O-N 3.1Å |
| 238 | R | 91.5 | Very high | 93.8 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 176.3 | -66.4 | -73.2 | -173.9 | -147.4 | -1.9 | 112.6 | I234 L235 Y236 A242 | I234-R238 WeakPolarHBondContact O-CG 3.48Å; I234-R238 PolarHBondContact O-N 3.08Å; L235-R238 PolarHBondContact O-N 3.47Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 2.92Å; R238-A242 PolarHBondContact O-N 3.18Å; R238-A242 VanDerWaalsContact O-N 3.09Å |
| 239 | L | 92.6 | Very high | 93.8 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 173.8 | -179.8 | 60.5 | 0 | 0 | 0 | 111.6 | I91 L235 Y236 A242 I243 | I91-L239 HydrophobicContact CD1-CD1 3.91Å; I91-L239 HydrophobicContact CG1-CD1 4.32Å; L235-L239 WeakPolarHBondContact O-CB 3.3Å; L235-L239 PolarHBondContact O-N 3.44Å; Y236-L239 PolarHBondContact O-N 2.91Å; Y236-L239 VanDerWaalsContact O-N 3.16Å; L239-A242 PolarHBondContact O-N 3.44Å; L239-I243 HydrophobicContact CD1-CD1 4.31Å; L239-I243 HydrophobicContact CG-CD1 4.13Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.04Å |
| 240 | R | 94.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 175.3 | -161.8 | -166.9 | 70.2 | -114.6 | -9.2 | 110.9 | Y236 E237 A242 I243 D244 | Y236-R240 PolarHBondContact O-N 3.46Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-CZ 3.73Å; E237-R240 IonicContact OE1-NH1 2.76Å; E237-R240 PolarHBondContact OE1-NH1 3.35Å; E237-R240 VanDerWaalsContact OE1-NH1 3.16Å; E237-R240 IonicContact OE1-NH2 4Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 2.67Å; E237-R240 IonicContact OE2-NH1 2.75Å; E237-R240 PolarHBondContact OE2-NH1 2.92Å; E237-R240 IonicContact OE2-NH2 3.53Å; R240-A242 PolarHBondContact O-N 2.94Å; R240-I243 CarbonylContact O-C 3.54Å; R240-I243 WeakPolarHBondContact O-CA 3.21Å; R240-I243 WeakPolarHBondContact O-CB 3.23Å; R240-I243 PolarHBondContact O-N 3.5Å; R240-D244 IonicContact NE-OD2 3.63Å; R240-D244 PolarHBondContact NE-OD2 3.24Å; R240-D244 PolarHBondContact O-N 2.89Å |
| 241 | V | 93.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 69 Ų | 69 | 26% | 0.255 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -29.7 | 178.4 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | L90 E237 R245 | L90-V241 HydrophobicContact CD2-CB 4.1Å; L90-V241 HydrophobicContact CD2-CG1 3.72Å; E237-V241 WeakPolarHBondContact O-CG2 3.14Å; E237-V241 PolarHBondContact O-N 3.03Å; E237-V241 VanDerWaalsContact O-N 3.1Å; V241-R245 VanDerWaalsContact O-CG 3.29Å; V241-R245 WeakPolarHBondContact O-CG 3.46Å; V241-R245 PolarHBondContact O-N 2.99Å; V241-R245 VanDerWaalsContact O-N 3.14Å |
| 242 | A | 93.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L90 I91 R238 L239 R240 M246 | L90-A242 HydrophobicContact CB-CB 4.5Å; L90-A242 HydrophobicContact CD2-CB 4.29Å; I91-A242 HydrophobicContact CD1-CB 4.14Å; I91-A242 HydrophobicContact CG1-CB 3.86Å; R238-A242 PolarHBondContact O-N 3.18Å; R238-A242 VanDerWaalsContact O-N 3.09Å; L239-A242 PolarHBondContact O-N 3.44Å; R240-A242 PolarHBondContact O-N 2.94Å; A242-M246 WeakPolarHBondContact O-CB 3.23Å; A242-M246 PolarHBondContact O-N 3.48Å |
| 243 | I | 94.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 73.1 Ų | 73.1 | 45% | 0.451 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 174.4 | -65.8 | 164.1 | 0 | 0 | 0 | 110.8 | L239 R240 R245 M246 N247 | L239-I243 HydrophobicContact CD1-CD1 4.31Å; L239-I243 HydrophobicContact CG-CD1 4.13Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.04Å; R240-I243 CarbonylContact O-C 3.54Å; R240-I243 WeakPolarHBondContact O-CA 3.21Å; R240-I243 WeakPolarHBondContact O-CB 3.23Å; R240-I243 PolarHBondContact O-N 3.5Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 2.73Å; I243-M246 WeakPolarHBondContact O-CB 3.31Å; I243-M246 PolarHBondContact O-N 3.17Å; I243-N247 PolarHBondContact O-N 2.91Å; I243-N247 PolarHBondContact O-ND2 3.33Å |
| 244 | D | 95 | Very high | 93.5 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 177.8 | -62.7 | -28.8 | 0 | 0 | 0 | 110.6 | R240 N247 S248 | R240-D244 IonicContact NE-OD2 3.63Å; R240-D244 PolarHBondContact NE-OD2 3.24Å; R240-D244 PolarHBondContact O-N 2.89Å; D244-N247 PolarHBondContact O-N 3.48Å; D244-S248 PolarHBondContact O-N 3.46Å; D244-S248 PolarHBondContact O-OG 3.45Å |
| 245 | R | 95 | Very high | 93.3 | Very high | 126 Ų | 126 | 75.4 Ų | 75.4 | 48% | 0.475 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 172.2 | -74.3 | 173.5 | 175.1 | -154.2 | -5.4 | 113.2 | A87 V241 I243 N247 S248 V249 | A87-R245 HydrophobicContact CB-CB 4.12Å; V241-R245 VanDerWaalsContact O-CG 3.29Å; V241-R245 WeakPolarHBondContact O-CG 3.46Å; V241-R245 PolarHBondContact O-N 2.99Å; V241-R245 VanDerWaalsContact O-N 3.14Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 2.73Å; R245-N247 PolarHBondContact O-N 2.91Å; R245-S248 WeakPolarHBondContact O-CB 3.41Å; R245-S248 PolarHBondContact O-N 2.98Å; R245-S248 VanDerWaalsContact O-N 3.16Å; R245-V249 WeakPolarHBondContact O-CG2 3.46Å; R245-V249 PolarHBondContact O-N 2.71Å |
| 246 | M | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 75.7 Ų | 75.7 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 178.3 | -165.6 | 62.1 | 60.7 | 0 | 0 | 111.4 | I84 A87 E88 A242 I243 V249 C250 | I84-M246 HydrophobicContact CB-SD 4.24Å; I84-M246 HydrophobicContact CG1-SD 4.04Å; I84-M246 HydrophobicContact CG2-CE 3.93Å; I84-M246 HydrophobicContact CG2-SD 3.87Å; A87-M246 HydrophobicContact CB-CE 3.96Å; E88-M246 HydrophobicContact CG-CE 3.89Å; A242-M246 WeakPolarHBondContact O-CB 3.23Å; A242-M246 PolarHBondContact O-N 3.48Å; I243-M246 WeakPolarHBondContact O-CB 3.31Å; I243-M246 PolarHBondContact O-N 3.17Å; M246-V249 PolarHBondContact O-N 2.74Å; M246-C250 PolarHBondContact O-N 3.16Å; M246-C250 PolarHBondContact O-SG 3.01Å |
| 247 | N | 95.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.1 | -65 | -30.7 | 0 | 0 | 0 | 111.9 | I243 D244 R245 V249 C250 D251 | I243-N247 PolarHBondContact O-N 2.91Å; I243-N247 PolarHBondContact O-ND2 3.33Å; D244-N247 PolarHBondContact O-N 3.48Å; R245-N247 PolarHBondContact O-N 2.91Å; N247-V249 VanDerWaalsContact C-N 3.29Å; N247-V249 PolarHBondContact O-N 2.96Å; N247-C250 WeakPolarHBondContact O-CB 3.13Å; N247-C250 PolarHBondContact O-N 3.4Å; N247-C250 VanDerWaalsContact O-N 3.11Å; N247-D251 PolarHBondContact O-N 3.16Å; N247-D251 VanDerWaalsContact O-N 3.14Å |
| 248 | S | 94.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 174 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | D244 R245 C250 D251 E252 | D244-S248 PolarHBondContact O-N 3.46Å; D244-S248 PolarHBondContact O-OG 3.45Å; R245-S248 WeakPolarHBondContact O-CB 3.41Å; R245-S248 PolarHBondContact O-N 2.98Å; R245-S248 VanDerWaalsContact O-N 3.16Å; S248-C250 VanDerWaalsContact C-N 3.32Å; S248-C250 PolarHBondContact O-N 2.99Å; S248-D251 PolarHBondContact O-N 3.23Å; S248-E252 PolarHBondContact O-N 3.41Å |
| 249 | V | 95.5 | Very high | 92 | Very high | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 112 | I80 H83 I84 R245 M246 N247 F253 | I80-V249 HydrophobicContact CG2-CG1 3.79Å; H83-V249 HydrophobicContact CB-CG1 3.85Å; H83-V249 HydrophobicContact CB-CG2 3.82Å; I84-V249 HydrophobicContact CG1-CG1 3.59Å; R245-V249 WeakPolarHBondContact O-CG2 3.46Å; R245-V249 PolarHBondContact O-N 2.71Å; M246-V249 PolarHBondContact O-N 2.74Å; N247-V249 VanDerWaalsContact C-N 3.29Å; N247-V249 PolarHBondContact O-N 2.96Å; V249-F253 WeakPolarHBondContact O-CB 3.35Å; V249-F253 PolarHBondContact O-N 2.99Å |
| 250 | C | 93 | Very high | 91.8 | Very high | 66 Ų | 66 | 72.3 Ų | 72.3 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 169.3 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | M246 N247 S248 F253 K254 | M246-C250 PolarHBondContact O-N 3.16Å; M246-C250 PolarHBondContact O-SG 3.01Å; N247-C250 WeakPolarHBondContact O-CB 3.13Å; N247-C250 PolarHBondContact O-N 3.4Å; N247-C250 VanDerWaalsContact O-N 3.11Å; S248-C250 VanDerWaalsContact C-N 3.32Å; S248-C250 PolarHBondContact O-N 2.99Å; C250-F253 PolarHBondContact O-N 3.26Å; C250-K254 WeakPolarHBondContact O-CB 3.17Å; C250-K254 PolarHBondContact O-N 2.99Å; C250-K254 VanDerWaalsContact O-N 3.07Å |
| 251 | D | 93 | Very high | 91.4 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69.7 | -39.8 | 174.4 | -70.1 | -42.7 | 0 | 0 | 0 | 111.8 | N247 S248 K254 S255 | N247-D251 PolarHBondContact O-N 3.16Å; N247-D251 VanDerWaalsContact O-N 3.14Å; S248-D251 PolarHBondContact O-N 3.23Å; D251-K254 PolarHBondContact O-N 3.41Å; D251-S255 PolarHBondContact O-N 2.86Å |
| 252 | E | 92.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.8 | -48 | 170.1 | -71.2 | 171.7 | -155 | 0 | 0 | 111.6 | H83 S248 K254 S255 V256 | H83-E252 IonicContact CE1-OE2 2.61Å; H83-E252 IonicContact CG-OE2 3.55Å; H83-E252 IonicContact ND1-OE2 3.1Å; H83-E252 PolarHBondContact ND1-OE2 3.28Å; S248-E252 PolarHBondContact O-N 3.41Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.26Å; E252-S255 WeakPolarHBondContact O-CB 3.31Å; E252-S255 PolarHBondContact O-N 3.23Å; E252-S255 VanDerWaalsContact O-N 3.12Å; E252-V256 PolarHBondContact O-N 3.41Å |
| 253 | F | 92.6 | Very high | 91 | Very high | 69 Ų | 69 | 79 Ų | 79 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 177 | -159.8 | -62.3 | 0 | 0 | 0 | 111.3 | L77 I80 V249 C250 S255 V256 C257 | L77-F253 HydrophobicContact CD1-CE1 4.31Å; L77-F253 HydrophobicContact CD1-CE2 3.68Å; L77-F253 HydrophobicContact CD1-CZ 3.48Å; L77-F253 VanDerWaalsContact CD1-CZ 3.48Å; I80-F253 HydrophobicContact CG2-CB 3.95Å; I80-F253 HydrophobicContact CG2-CD2 3.51Å; I80-F253 HydrophobicContact CG2-CE2 4.38Å; I80-F253 HydrophobicContact CG2-CG 4.09Å; V249-F253 WeakPolarHBondContact O-CB 3.35Å; V249-F253 PolarHBondContact O-N 2.99Å; C250-F253 PolarHBondContact O-N 3.26Å; F253-S255 VanDerWaalsContact C-N 3.27Å; F253-S255 PolarHBondContact O-N 2.98Å; F253-V256 PolarHBondContact O-N 3.37Å; F253-C257 PolarHBondContact O-N 2.88Å; F253-C257 PolarHBondContact O-SG 3.37Å; F253-C257 VanDerWaalsContact O-SG 3.4Å |
| 254 | K | 91.2 | Very high | 90.7 | Very high | 153 Ų | 153 | 79.7 Ų | 79.7 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.4 | -31.6 | -179.9 | -175.3 | -179.7 | 175.1 | -173.7 | 0 | 112.8 | C250 D251 E252 | C250-K254 WeakPolarHBondContact O-CB 3.17Å; C250-K254 PolarHBondContact O-N 2.99Å; C250-K254 VanDerWaalsContact O-N 3.07Å; D251-K254 PolarHBondContact O-N 3.41Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.26Å |
| 255 | S | 88.1 | Confident | 90.5 | Very high | 64 Ų | 64 | 77.3 Ų | 77.3 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.9 | -50.3 | 173.9 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | D251 E252 F253 C257 T258 | D251-S255 PolarHBondContact O-N 2.86Å; E252-S255 WeakPolarHBondContact O-CB 3.31Å; E252-S255 PolarHBondContact O-N 3.23Å; E252-S255 VanDerWaalsContact O-N 3.12Å; F253-S255 VanDerWaalsContact C-N 3.27Å; F253-S255 PolarHBondContact O-N 2.98Å; S255-C257 PolarHBondContact O-N 2.65Å; S255-T258 WeakPolarHBondContact O-CB 3.43Å; S255-T258 PolarHBondContact O-N 3.25Å; S255-T258 PolarHBondContact O-OG1 3.1Å |
| 256 | V | 88.2 | Confident | 90.2 | Very high | 18 Ų | 18 | 73.9 Ų | 73.9 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -27 | -176.1 | 170.8 | 0 | 0 | 0 | 0 | 112.8 | F73 E76 I80 E252 F253 T258 H259 | F73-V256 HydrophobicContact CD2-CG1 3.72Å; F73-V256 WeakPolarHBondContact CD2-O 3.33Å; F73-V256 HydrophobicContact CE2-CG1 3.98Å; E76-V256 HydrophobicContact CB-CG1 3.75Å; E76-V256 HydrophobicContact CB-CG2 4.25Å; I80-V256 HydrophobicContact CD1-CB 3.58Å; I80-V256 HydrophobicContact CD1-CG1 3.94Å; I80-V256 HydrophobicContact CD1-CG2 3.49Å; I80-V256 VanDerWaalsContact CD1-CG2 3.49Å; E252-V256 PolarHBondContact O-N 3.41Å; F253-V256 PolarHBondContact O-N 3.37Å; V256-T258 PolarHBondContact O-N 3.38Å; V256-H259 PolarHBondContact O-N 3.45Å |
| 257 | C | 83 | Confident | 89.9 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 49% | 0.486 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -14.4 | 168.9 | -71 | 0 | 0 | 0 | 0 | 114.9 | F253 S255 | F253-C257 PolarHBondContact O-N 2.88Å; F253-C257 PolarHBondContact O-SG 3.37Å; F253-C257 VanDerWaalsContact O-SG 3.4Å; S255-C257 PolarHBondContact O-N 2.65Å |
| 258 | T | 86.4 | Confident | 89.5 | Confident | 107 Ų | 107 | 76 Ų | 76 | 66% | 0.656 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -2 | 177.8 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | S255 V256 | S255-T258 WeakPolarHBondContact O-CB 3.43Å; S255-T258 PolarHBondContact O-N 3.25Å; S255-T258 PolarHBondContact O-OG1 3.1Å; V256-T258 PolarHBondContact O-N 3.38Å |
| 259 | H | 85.2 | Confident | 89.2 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 38% | 0.375 | 41% | 0.413 | S | S | . | . | trans | -87.2 | -6.5 | -171 | -64.3 | 179.8 | 0 | 0 | 0 | 114.9 | E76 V256 N261 | E76-H259 IonicContact OE2-CE1 3.55Å; E76-H259 IonicContact OE2-CG 2.72Å; E76-H259 IonicContact OE2-ND1 3.32Å; E76-H259 PolarHBondContact OE2-ND1 3.35Å; V256-H259 PolarHBondContact O-N 3.45Å; H259-N261 PolarHBondContact O-N 2.91Å | ||
| 260 | L | 88.1 | Confident | 88.8 | Confident | 81 Ų | 81 | 80.6 Ų | 80.6 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | trans | -75.8 | 116.6 | 175.9 | -74.5 | 170.4 | 0 | 0 | 0 | 110.6 | Y70 F73 | Y70-L260 HydrophobicContact CD2-CD2 4.02Å; F73-L260 HydrophobicContact CB-CD2 3.67Å; F73-L260 HydrophobicContact CB-CG 4.08Å; F73-L260 HydrophobicContact CD1-CD1 4Å; F73-L260 HydrophobicContact CD1-CD2 3.74Å; F73-L260 HydrophobicContact CD1-CG 3.97Å; F73-L260 HydrophobicContact CD2-CD1 4.3Å; F73-L260 HydrophobicContact CD2-CD2 4.39Å; F73-L260 HydrophobicContact CD2-CG 3.92Å; F73-L260 HydrophobicContact CE1-CD1 3.98Å; F73-L260 HydrophobicContact CE1-CG 4.42Å; F73-L260 HydrophobicContact CE2-CD1 4.28Å; F73-L260 HydrophobicContact CE2-CG 4.38Å; F73-L260 HydrophobicContact CG-CD1 4.17Å; F73-L260 HydrophobicContact CG-CD2 3.66Å; F73-L260 HydrophobicContact CG-CG 3.7Å; F73-L260 HydrophobicContact CZ-CD1 4.12Å | ||
| 261 | N | 88 | Confident | 88.5 | Confident | 60 Ų | 60 | 83 Ų | 83 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | trans | -125.4 | 93.7 | -176.3 | -173.1 | -7.5 | 0 | 0 | 0 | 111.5 | S69 H259 D263 Q264 D265 | S69-N261 PolarHBondContact OG-N 3.01Å; H259-N261 PolarHBondContact O-N 2.91Å; N261-D263 VanDerWaalsContact C-N 3.3Å; N261-D263 PolarHBondContact O-N 3.43Å; N261-D263 PolarHBondContact OD1-N 3.3Å; N261-Q264 HydrophobicContact CB-CB 4.05Å; N261-Q264 VanDerWaalsContact CG-CB 3.44Å; N261-Q264 VanDerWaalsContact ND2-CB 3.26Å; N261-Q264 WeakPolarHBondContact ND2-CB 3.39Å; N261-Q264 PolarHBondContact ND2-OE1 2.96Å; N261-Q264 VanDerWaalsContact ND2-OE1 3.1Å; N261-Q264 PolarHBondContact OD1-N 2.71Å; N261-D265 WeakPolarHBondContact O-CB 3.12Å; N261-D265 PolarHBondContact O-N 3.02Å | ||
| 262 | S | 88.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.4 | -33.9 | -178.9 | -169.7 | 0 | 0 | 0 | 0 | 113.3 | S266 | S262-S266 WeakPolarHBondContact O-CB 3.38Å; S262-S266 PolarHBondContact O-N 3.35Å |
| 263 | D | 89.4 | Confident | 88 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 65% | 0.652 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.9 | -49 | -177 | -61.9 | -28.2 | 0 | 0 | 0 | 109.9 | N261 D265 S266 E267 | N261-D263 VanDerWaalsContact C-N 3.3Å; N261-D263 PolarHBondContact O-N 3.43Å; N261-D263 PolarHBondContact OD1-N 3.3Å; D263-D265 PolarHBondContact O-N 2.85Å; D263-S266 PolarHBondContact O-N 2.73Å; D263-S266 PolarHBondContact O-OG 2.63Å; D263-E267 PolarHBondContact O-N 3.45Å |
| 264 | Q | 88.4 | Confident | 87.7 | Confident | 103 Ų | 103 | 88 Ų | 88 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.7 | 176.6 | -179.1 | -12.2 | 0 | 0 | 112.3 | N261 S266 E267 E268 | N261-Q264 HydrophobicContact CB-CB 4.05Å; N261-Q264 VanDerWaalsContact CG-CB 3.44Å; N261-Q264 VanDerWaalsContact ND2-CB 3.26Å; N261-Q264 WeakPolarHBondContact ND2-CB 3.39Å; N261-Q264 PolarHBondContact ND2-OE1 2.96Å; N261-Q264 VanDerWaalsContact ND2-OE1 3.1Å; N261-Q264 PolarHBondContact OD1-N 2.71Å; Q264-S266 VanDerWaalsContact C-N 3.34Å; Q264-E267 WeakPolarHBondContact O-CB 3.35Å; Q264-E267 PolarHBondContact O-N 2.87Å; Q264-E268 PolarHBondContact O-N 2.94Å |
| 265 | D | 89.6 | Confident | 87.4 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 177.6 | -79.4 | -18 | 0 | 0 | 0 | 112.1 | N68 S69 Y70 N261 D263 E268 I269 | N68-D265 WeakPolarHBondContact CA-OD1 3.06Å; N68-D265 WeakPolarHBondContact ND2-CB 3.28Å; N68-D265 PolarHBondContact ND2-OD1 3.2Å; N68-D265 PolarHBondContact ND2-OD2 3.47Å; N68-D265 PolarHBondContact OD1-OD2 3.17Å; S69-D265 VanDerWaalsContact CB-OD2 3.3Å; S69-D265 WeakPolarHBondContact CB-OD2 3.12Å; S69-D265 VanDerWaalsContact N-CG 3.35Å; S69-D265 PolarHBondContact N-OD1 3.06Å; S69-D265 PolarHBondContact N-OD2 3.31Å; S69-D265 VanDerWaalsContact N-OD2 3.17Å; S69-D265 VanDerWaalsContact OG-CG 3.32Å; S69-D265 PolarHBondContact OG-OD2 2.98Å; Y70-D265 PolarHBondContact N-OD2 3.46Å; N261-D265 WeakPolarHBondContact O-CB 3.12Å; N261-D265 PolarHBondContact O-N 3.02Å; D263-D265 PolarHBondContact O-N 2.85Å; D265-E268 PolarHBondContact O-N 3.45Å; D265-I269 WeakPolarHBondContact O-CB 3.4Å; D265-I269 WeakPolarHBondContact O-CD1 3.38Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.39Å |
| 266 | S | 88.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 87.3 Ų | 87.3 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 172.8 | 80.6 | 0 | 0 | 0 | 0 | 111.8 | S262 D263 Q264 I269 I270 | S262-S266 WeakPolarHBondContact O-CB 3.38Å; S262-S266 PolarHBondContact O-N 3.35Å; D263-S266 PolarHBondContact O-N 2.73Å; D263-S266 PolarHBondContact O-OG 2.63Å; Q264-S266 VanDerWaalsContact C-N 3.34Å; S266-I269 PolarHBondContact O-N 3.08Å; S266-I270 WeakPolarHBondContact O-CB 3.5Å; S266-I270 WeakPolarHBondContact O-CD1 3.32Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 3.2Å |
| 267 | E | 89.1 | Confident | 87.1 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.9 | -87.3 | -163 | -156.8 | 0 | 0 | 112.4 | D263 Q264 I270 K271 | D263-E267 PolarHBondContact O-N 3.45Å; Q264-E267 WeakPolarHBondContact O-CB 3.35Å; Q264-E267 PolarHBondContact O-N 2.87Å; E267-I270 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact O-CB 3.47Å; E267-K271 WeakPolarHBondContact O-CD 3.42Å; E267-K271 WeakPolarHBondContact O-CG 3.33Å; E267-K271 PolarHBondContact O-N 3.13Å; E267-K271 WeakPolarHBondContact OE2-CE 3.5Å; E267-K271 IonicContact OE2-NZ 2.66Å; E267-K271 PolarHBondContact OE2-NZ 3.15Å |
| 268 | E | 86 | Confident | 87.1 | Confident | 56 Ų | 56 | 93.3 Ų | 93.3 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 179.8 | -67.3 | -52.9 | 124.8 | 0 | 0 | 112.2 | Q264 D265 I270 K271 Y272 | Q264-E268 PolarHBondContact O-N 2.94Å; D265-E268 PolarHBondContact O-N 3.45Å; E268-I270 VanDerWaalsContact C-N 3.35Å; E268-K271 PolarHBondContact O-N 3.09Å; E268-K271 WeakPolarHBondContact OE1-CD 3.31Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 3.28Å; E268-Y272 VanDerWaalsContact O-CB 3.28Å; E268-Y272 WeakPolarHBondContact O-CB 3.49Å; E268-Y272 PolarHBondContact O-N 2.83Å |
| 269 | I | 88.2 | Confident | 87 | Confident | 69 Ų | 69 | 93.5 Ų | 93.5 | 35% | 0.354 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 172.4 | -70.4 | 166.2 | 0 | 0 | 0 | 110.6 | D265 S266 Y272 L273 | D265-I269 WeakPolarHBondContact O-CB 3.4Å; D265-I269 WeakPolarHBondContact O-CD1 3.38Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.39Å; S266-I269 PolarHBondContact O-N 3.08Å; I269-Y272 PolarHBondContact O-N 2.87Å; I269-L273 HydrophobicContact CG2-CD1 3.82Å; I269-L273 HydrophobicContact CG2-CG 4.45Å; I269-L273 WeakPolarHBondContact O-CB 3.5Å; I269-L273 WeakPolarHBondContact O-CG 3.35Å; I269-L273 PolarHBondContact O-N 3.26Å |
| 270 | I | 88.1 | Confident | 87.1 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -52.3 | 174.8 | -70.5 | 163.9 | 0 | 0 | 0 | 110.2 | S266 E267 E268 Y272 L273 H274 | S266-I270 WeakPolarHBondContact O-CB 3.5Å; S266-I270 WeakPolarHBondContact O-CD1 3.32Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 3.2Å; E267-I270 PolarHBondContact O-N 3.45Å; E268-I270 VanDerWaalsContact C-N 3.35Å; I270-Y272 PolarHBondContact O-N 3.03Å; I270-L273 PolarHBondContact O-N 3.06Å; I270-H274 WeakPolarHBondContact O-CB 3.5Å; I270-H274 PolarHBondContact O-N 2.9Å |
| 271 | K | 87 | Confident | 87 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.3 | -36.1 | 179.8 | -70.1 | 160.6 | -159 | 167.6 | 0 | 112.5 | E267 E268 | E267-K271 WeakPolarHBondContact O-CB 3.47Å; E267-K271 WeakPolarHBondContact O-CD 3.42Å; E267-K271 WeakPolarHBondContact O-CG 3.33Å; E267-K271 PolarHBondContact O-N 3.13Å; E267-K271 WeakPolarHBondContact OE2-CE 3.5Å; E267-K271 IonicContact OE2-NZ 2.66Å; E267-K271 PolarHBondContact OE2-NZ 3.15Å; E268-K271 PolarHBondContact O-N 3.09Å; E268-K271 WeakPolarHBondContact OE1-CD 3.31Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 3.28Å |
| 272 | Y | 87.1 | Confident | 87 | Confident | 129 Ų | 129 | 95.2 Ų | 95.2 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79.7 | -38 | -180 | -175.5 | -122.4 | 0 | 0 | 0 | 114 | F64 V66 E268 I269 I270 | F64-Y272 WeakPolarHBondContact O-CE1 3.49Å; V66-Y272 HydrophobicContact CG1-CD1 4.11Å; V66-Y272 HydrophobicContact CG1-CD2 3.43Å; V66-Y272 VanDerWaalsContact CG1-CD2 3.43Å; V66-Y272 HydrophobicContact CG1-CE2 3.94Å; V66-Y272 HydrophobicContact CG1-CG 3.53Å; V66-Y272 HydrophobicContact CG2-CD1 4.43Å; V66-Y272 HydrophobicContact CG2-CG 4.46Å; E268-Y272 VanDerWaalsContact O-CB 3.28Å; E268-Y272 WeakPolarHBondContact O-CB 3.49Å; E268-Y272 PolarHBondContact O-N 2.83Å; I269-Y272 PolarHBondContact O-N 2.87Å; I270-Y272 PolarHBondContact O-N 3.03Å |
| 273 | L | 87.1 | Confident | 86.7 | Confident | 121 Ų | 121 | 96.5 Ų | 96.5 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -97 | -5.1 | -175.7 | -59.4 | -178 | 0 | 0 | 0 | 114.3 | I269 I270 S275 | I269-L273 HydrophobicContact CG2-CD1 3.82Å; I269-L273 HydrophobicContact CG2-CG 4.45Å; I269-L273 WeakPolarHBondContact O-CB 3.5Å; I269-L273 WeakPolarHBondContact O-CG 3.35Å; I269-L273 PolarHBondContact O-N 3.26Å; I270-L273 PolarHBondContact O-N 3.06Å; L273-S275 PolarHBondContact O-N 2.99Å |
| 274 | H | 87.1 | Confident | 86.4 | Confident | 114 Ų | 114 | 94.5 Ų | 94.5 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | trans | -67.1 | 95.6 | -177.5 | -171.2 | -97 | 0 | 0 | 0 | 112.2 | I270 N276 | I270-H274 WeakPolarHBondContact O-CB 3.5Å; I270-H274 PolarHBondContact O-N 2.9Å; H274-N276 PolarHBondContact CE1-OD1 3.45Å; H274-N276 VanDerWaalsContact CE1-OD1 3.25Å; H274-N276 PolarHBondContact ND1-OD1 2.98Å; H274-N276 PolarHBondContact O-N 2.83Å; H274-N276 PolarHBondContact O-ND2 2.95Å | ||
| 275 | S | 85.2 | Confident | 86.2 | Confident | 78 Ų | 78 | 98.1 Ų | 98.1 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | trans | -64.8 | -9.7 | -178.5 | 70.6 | 0 | 0 | 0 | 0 | 115.3 | L273 N277 | L273-S275 PolarHBondContact O-N 2.99Å; S275-N277 PolarHBondContact O-N 3.02Å; S275-N277 VanDerWaalsContact O-N 3.11Å; S275-N277 PolarHBondContact OG-N 2.99Å; S275-N277 PolarHBondContact OG-ND2 3.36Å | ||
| 276 | N | 82.9 | Confident | 85.8 | Confident | 126 Ų | 126 | 102.6 Ų | 102.6 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | trans | 61 | 3.4 | -171.5 | -50.3 | -75.3 | 0 | 0 | 0 | 115.4 | H274 | H274-N276 PolarHBondContact CE1-OD1 3.45Å; H274-N276 VanDerWaalsContact CE1-OD1 3.25Å; H274-N276 PolarHBondContact ND1-OD1 2.98Å; H274-N276 PolarHBondContact O-N 2.83Å; H274-N276 PolarHBondContact O-ND2 2.95Å | ||
| 277 | N | 85.9 | Confident | 85.3 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 128.4 | 169.5 | -62.1 | -50.9 | 0 | 0 | 0 | 109.2 | S275 | S275-N277 PolarHBondContact O-N 3.02Å; S275-N277 VanDerWaalsContact O-N 3.11Å; S275-N277 PolarHBondContact OG-N 2.99Å; S275-N277 PolarHBondContact OG-ND2 3.36Å |
| 278 | P | 84.1 | Confident | 84.6 | Confident | 107 Ų | 107 | 104 Ų | 104 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 156.5 | 170.1 | 29.6 | -34.6 | 0 | 0 | 0 | 110.1 | ||
| 279 | P | 84.1 | Confident | 83.6 | Confident | 110 Ų | 110 | 111.7 Ų | 111.7 | 71% | 0.714 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144 | 167.1 | 27.2 | -34.4 | 0 | 0 | 0 | 109.6 | G281 | P279-G281 PolarHBondContact O-N 3.3Å; P279-G281 VanDerWaalsContact O-N 3.15Å |
| 280 | P | 87.5 | Confident | 82.3 | Confident | 77 Ų | 77 | 112 Ų | 112 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 121.5 | 175.6 | 25.7 | -33.1 | 0 | 0 | 0 | 109.2 | L327 | P280-L327 HydrophobicContact CB-CD2 4.4Š|
| 281 | G | 84.7 | Confident | 80.2 | Confident | 26 Ų | 26 | 112.1 Ų | 112.1 | 27% | 0.268 | 61% | 0.613 | S | S | . | * | trans | -72.7 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P279 I283 Y320 | P279-G281 PolarHBondContact O-N 3.3Å; P279-G281 VanDerWaalsContact O-N 3.15Å; G281-I283 PolarHBondContact O-N 3.46Å; G281-Y320 WeakPolarHBondContact CA-OH 3.46Å | ||
| 282 | D | 88.1 | Confident | 78.2 | Confident | 156 Ų | 156 | 110.9 Ų | 110.9 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | trans | -54.3 | 126.8 | 178.5 | -64.4 | -30.7 | 0 | 0 | 0 | 111.1 | A284 | D282-A284 PolarHBondContact O-N 2.96Š| ||
| 283 | I | 83.1 | Confident | 76.1 | Confident | 123 Ų | 123 | 110.7 Ų | 110.7 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | trans | -67.8 | 109.2 | 174.2 | -58.5 | 176.2 | 0 | 0 | 0 | 107 | G281 F285 W336 | G281-I283 PolarHBondContact O-N 3.46Å; I283-F285 PolarHBondContact O-N 3.44Å; I283-W336 HydrophobicContact CG2-CH2 4.46Å; I283-W336 HydrophobicContact CG2-CZ2 3.96Å | ||
| 284 | A | 83.3 | Confident | 73.9 | Confident | 79 Ų | 79 | 112.8 Ų | 112.8 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | trans | -54.7 | 132 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D282 V286 | D282-A284 PolarHBondContact O-N 2.96Å; A284-V286 PolarHBondContact O-N 3.27Å | ||
| 285 | F | 83.5 | Confident | 71.4 | Confident | 179 Ų | 179 | 115.2 Ų | 115.2 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | -62.9 | 108 | 174.8 | 176.8 | -110.2 | 0 | 0 | 0 | 109.6 | I283 D287 | I283-F285 PolarHBondContact O-N 3.44Å; F285-D287 VanDerWaalsContact C-N 3.32Å; F285-D287 HydrophobicContact CD1-CB 3.91Å; F285-D287 HydrophobicContact CE1-CB 3.6Å; F285-D287 PolarHBondContact O-N 3.15Å | ||
| 286 | V | 81.1 | Confident | 69.2 | Low | 111 Ų | 111 | 117 Ų | 117 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | trans | -76.7 | 88.5 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | A284 L288 | A284-V286 PolarHBondContact O-N 3.27Å; V286-L288 HydrophobicContact CG1-CD2 4.33Å; V286-L288 PolarHBondContact O-N 3.35Å; V286-L288 VanDerWaalsContact O-N 3.1Å | ||
| 287 | D | 79.1 | Confident | 67.1 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 27% | 0.273 | 68% | 0.676 | S | S | . | * | trans | -66.8 | 106.9 | 174.7 | 175 | 31 | 0 | 0 | 0 | 110.7 | F285 Y289 S290 | F285-D287 VanDerWaalsContact C-N 3.32Å; F285-D287 HydrophobicContact CD1-CB 3.91Å; F285-D287 HydrophobicContact CE1-CB 3.6Å; F285-D287 PolarHBondContact O-N 3.15Å; D287-Y289 PolarHBondContact O-N 3.08Å; D287-Y289 WeakPolarHBondContact OD1-CB 3.35Å; D287-Y289 WeakPolarHBondContact OD1-CD2 3.33Å; D287-Y289 PolarHBondContact OD1-N 2.92Å; D287-S290 WeakPolarHBondContact CB-OG 3.36Å; D287-S290 VanDerWaalsContact CG-OG 3.31Å; D287-S290 PolarHBondContact O-N 3.09Å; D287-S290 PolarHBondContact O-OG 3.01Å; D287-S290 WeakPolarHBondContact OD2-CB 3.35Å; D287-S290 PolarHBondContact OD2-N 3.39Å; D287-S290 VanDerWaalsContact OD2-N 3.14Å; D287-S290 PolarHBondContact OD2-OG 3.32Å | ||
| 288 | L | 72.8 | Confident | 64.8 | Low | 141 Ų | 141 | 119.2 Ų | 119.2 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -66.9 | -17.3 | 178.9 | -60.1 | 177 | 0 | 0 | 0 | 112.7 | V286 | V286-L288 HydrophobicContact CG1-CD2 4.33Å; V286-L288 PolarHBondContact O-N 3.35Å; V286-L288 VanDerWaalsContact O-N 3.1Å |
| 289 | Y | 66 | Low | 62.7 | Low | 218 Ų | 218 | 122.9 Ų | 122.9 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -84.3 | -24.5 | -178.9 | -63.3 | -78.6 | 0 | 0 | 0 | 114.1 | D287 S291 | D287-Y289 PolarHBondContact O-N 3.08Å; D287-Y289 WeakPolarHBondContact OD1-CB 3.35Å; D287-Y289 WeakPolarHBondContact OD1-CD2 3.33Å; D287-Y289 PolarHBondContact OD1-N 2.92Å; Y289-S291 VanDerWaalsContact C-N 3.32Å; Y289-S291 PolarHBondContact O-N 3.3Å |
| 290 | S | 60.6 | Low | 60.2 | Low | 76 Ų | 76 | 122.5 Ų | 122.5 | 53% | 0.531 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -90.1 | 17.8 | 179.9 | 47.2 | 0 | 0 | 0 | 0 | 114.7 | D287 S292 | D287-S290 WeakPolarHBondContact CB-OG 3.36Å; D287-S290 VanDerWaalsContact CG-OG 3.31Å; D287-S290 PolarHBondContact O-N 3.09Å; D287-S290 PolarHBondContact O-OG 3.01Å; D287-S290 WeakPolarHBondContact OD2-CB 3.35Å; D287-S290 PolarHBondContact OD2-N 3.39Å; D287-S290 VanDerWaalsContact OD2-N 3.14Å; D287-S290 PolarHBondContact OD2-OG 3.32Å; S290-S292 PolarHBondContact O-N 3.32Å |
| 291 | S | 44.3 | Very low | 57.9 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | -73.6 | 65.8 | 177.3 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | Y289 | Y289-S291 VanDerWaalsContact C-N 3.32Å; Y289-S291 PolarHBondContact O-N 3.3Å | ||
| 292 | S | 44.1 | Very low | 55.5 | Low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -142.7 | 125.8 | 171.9 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | S290 | S290-S292 PolarHBondContact O-N 3.32Š| ||
| 293 | V | 42.5 | Very low | 53.3 | Low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | trans | 46.7 | 104.1 | 167.5 | -70.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 294 | N | 41.9 | Very low | 51 | Low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | -175.6 | 83 | 111.6 | -89 | -30 | 0 | 0 | 0 | 112.5 | |||||
| 295 | N | 35.4 | Very low | 48.9 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -82.8 | 122.6 | 163.4 | -81.5 | -24.1 | 0 | 0 | 0 | 109.9 | ||||
| 296 | S | 37.8 | Very low | 46.7 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 179.5 | 151.3 | 140.4 | -85.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 297 | T | 38.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 74.2 | 88.7 | 159.2 | -44.7 | 0 | 0 | 0 | 0 | 118.4 | Q299 | T297-Q299 HydrophobicContact CG2-CG 4.36Š| ||
| 298 | I | 38.3 | Very low | 42.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 136.7 | 153.6 | -61.5 | 163.9 | 0 | 0 | 0 | 108.8 | ||||
| 299 | Q | 40 | Very low | 41 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -136.1 | 136.2 | 152.5 | -73.5 | -163 | 1.6 | 0 | 0 | 110.6 | T297 | T297-Q299 HydrophobicContact CG2-CG 4.36Š| ||
| 300 | S | 32.7 | Very low | 39.8 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -123.3 | 140.3 | -178.4 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 301 | T | 37.6 | Very low | 38.7 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -161.7 | 149.8 | 157.8 | -2.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 302 | V | 35.4 | Very low | 38.2 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -115 | 139 | -175.6 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 303 | K | 40.6 | Very low | 37.8 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -172 | 165.4 | 142.9 | -101.9 | 146.7 | -167 | 176.5 | 0 | 113 | ||||
| 304 | Q | 35.8 | Very low | 37.3 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -120.6 | 146.2 | -164.3 | -56.9 | 155 | -49.7 | 0 | 0 | 112.2 | ||||
| 305 | S | 38.7 | Very low | 37 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -162 | 121.1 | 147 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 306 | T | 38 | Very low | 36.9 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | 87.2 | 88.6 | 78.2 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 307 | Y | 35 | Very low | 36.9 | Very low | 219 Ų | 219 | 150.8 Ų | 150.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 42.5 | 160.9 | 141.5 | -56 | -58.4 | 0 | 0 | 0 | 122.7 | ||||
| 308 | P | 39.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -140.6 | -164.8 | -43.7 | 40.7 | -23 | 0 | 0 | 0 | 113 | ||||
| 309 | K | 38.6 | Very low | 36.7 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | 90.5 | 126.9 | 156 | -80.6 | 176.1 | 179.4 | 176 | 0 | 121.2 | ||||
| 310 | Q | 40.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 95.3 | 118.9 | 131.3 | -80 | 179.7 | 7.8 | 0 | 0 | 122.6 | ||||
| 311 | Q | 37.9 | Very low | 36.6 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | trans | 81.7 | 106.2 | 138.3 | -66.3 | -171.7 | 54.5 | 0 | 0 | 122 | ||||
| 312 | R | 34.5 | Very low | 36.6 | Very low | 210 Ų | 210 | 150 Ų | 150 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | 86.5 | 127.2 | 122.7 | -75.3 | -177.7 | 166.4 | -177.4 | -4 | 121.4 | |||||
| 313 | T | 35.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 69 | 106.4 | 140.6 | 53.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 314 | N | 30.7 | Very low | 36.7 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | 57.1 | 87.4 | 124.1 | -55.1 | 15.5 | 0 | 0 | 0 | 119.3 | |||||
| 315 | S | 36.2 | Very low | 37 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -153.5 | 160.6 | 132.5 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 316 | S | 33.1 | Very low | 37.5 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -109 | 125.9 | -170.8 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 317 | E | 37.8 | Very low | 38.1 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -160.8 | 134.6 | 157.9 | -119.4 | 164.1 | -145 | 0 | 0 | 110.6 | ||||
| 318 | P | 37.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -91 | 126.1 | -179.4 | 33.4 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 319 | I | 36 | Very low | 39.5 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -93.4 | 107.6 | 176.3 | -57.9 | 175.5 | 0 | 0 | 0 | 109.9 | ||||
| 320 | Y | 35.2 | Very low | 40.4 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -107.7 | 119.6 | 164 | -102.3 | -86.8 | 0 | 0 | 0 | 110.1 | G281 | G281-Y320 WeakPolarHBondContact CA-OH 3.46Š| ||
| 321 | S | 33.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -159.4 | 102.7 | 166.5 | -83.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 322 | S | 38.6 | Very low | 41.2 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 92% | 0.923 | 73% | 0.731 | S | S | * | * | trans | 41.5 | 119.7 | 148.8 | -159.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 323 | G | 35.3 | Very low | 42 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 154.3 | 90.3 | 156 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 324 | S | 41.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 119.8 Ų | 119.8 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | 55.7 | 82.2 | 163.7 | -176.4 | 0 | 0 | 0 | 0 | 117.3 | V326 | S324-V326 PolarHBondContact O-N 3.01Š| ||
| 325 | V | 42.2 | Very low | 44.3 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | trans | -80.2 | 109.7 | 163.7 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | L327 | V325-L327 PolarHBondContact O-N 3.43Š| ||
| 326 | V | 50.9 | Low | 45.1 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | -80.6 | 110.1 | 165 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | S324 | S324-V326 PolarHBondContact O-N 3.01Š| ||
| 327 | L | 49.1 | Very low | 46.1 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 39% | 0.387 | 65% | 0.65 | S | S | . | * | trans | -65 | 135.3 | 173.2 | -75.1 | 168.6 | 0 | 0 | 0 | 110.1 | P280 V325 F331 | P280-L327 HydrophobicContact CB-CD2 4.4Å; V325-L327 PolarHBondContact O-N 3.43Å; L327-F331 HydrophobicContact CD2-CB 4.48Å | ||
| 328 | P | 49.8 | Very low | 46.8 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 35% | 0.351 | 63% | 0.632 | S | S | . | * | trans | -56.2 | 142.4 | 168.3 | -24.4 | 34.7 | 0 | 0 | 0 | 110.7 | N330 F331 | P328-N330 WeakPolarHBondContact CB-OD1 3.36Å; P328-N330 PolarHBondContact O-N 2.92Å; P328-F331 HydrophobicContact CG-CD2 4.48Å; P328-F331 PolarHBondContact O-N 3.29Å | ||
| 329 | S | 54.3 | Low | 47.5 | Very low | 122 Ų | 122 | 104.8 Ų | 104.8 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -14.7 | -175.5 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 330 | N | 57.2 | Low | 48.5 | Very low | 131 Ų | 131 | 101.6 Ų | 101.6 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -0.7 | 174.8 | 51.4 | -48.2 | 0 | 0 | 0 | 114.6 | P328 | P328-N330 WeakPolarHBondContact CB-OD1 3.36Å; P328-N330 PolarHBondContact O-N 2.92Å |
| 331 | F | 50.5 | Low | 49.4 | Very low | 125 Ų | 125 | 95.8 Ų | 95.8 | 55% | 0.548 | 59% | 0.589 | S | S | . | * | trans | -102.9 | 78.4 | 171.7 | -95.5 | -87.4 | 0 | 0 | 0 | 111.4 | L327 P328 C333 | L327-F331 HydrophobicContact CD2-CB 4.48Å; P328-F331 HydrophobicContact CG-CD2 4.48Å; P328-F331 PolarHBondContact O-N 3.29Å; F331-C333 PolarHBondContact O-N 3.45Å | ||
| 332 | H | 46.1 | Very low | 50.2 | Low | 154 Ų | 154 | 93 Ų | 93 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | trans | -92.9 | 97.2 | 177.5 | -138.2 | -103.2 | 0 | 0 | 0 | 110.6 | S334 A337 | H332-S334 PolarHBondContact O-N 2.91Å; H332-A337 VanDerWaalsContact CE1-CB 3.41Å; H332-A337 WeakPolarHBondContact CE1-CB 3.21Å; H332-A337 VanDerWaalsContact ND1-CB 3.29Å; H332-A337 WeakPolarHBondContact ND1-CB 3.14Å | ||
| 333 | C | 49.9 | Very low | 50.8 | Low | 58 Ų | 58 | 91.8 Ų | 91.8 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | trans | -63.7 | 119.5 | 172.1 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | F331 V335 W336 A337 | F331-C333 PolarHBondContact O-N 3.45Å; C333-V335 PolarHBondContact O-N 2.92Å; C333-W336 HydrophobicContact CB-CB 4.25Å; C333-W336 PolarHBondContact O-N 2.92Å; C333-A337 VanDerWaalsContact O-CB 3.32Å; C333-A337 WeakPolarHBondContact O-CB 3.5Å; C333-A337 PolarHBondContact O-N 3.17Å | ||
| 334 | S | 55.9 | Low | 51.4 | Low | 99 Ų | 99 | 95.8 Ų | 95.8 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -26 | -174.3 | 51.1 | 0 | 0 | 0 | 0 | 114 | H332 A338 | H332-S334 PolarHBondContact O-N 2.91Å; S334-A338 PolarHBondContact O-N 3Å |
| 335 | V | 58.2 | Low | 51.6 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 53% | 0.527 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.6 | -54.5 | 174.7 | -175 | 0 | 0 | 0 | 0 | 110.4 | C333 A337 A338 D339 | C333-V335 PolarHBondContact O-N 2.92Å; V335-A337 PolarHBondContact O-N 2.9Å; V335-A338 WeakPolarHBondContact O-CA 3.33Å; V335-A338 WeakPolarHBondContact O-CB 3.12Å; V335-A338 PolarHBondContact O-N 3.31Å; V335-D339 PolarHBondContact O-N 3.42Å |
| 336 | W | 54 | Low | 51.7 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -27 | 177.1 | -75.2 | 19.1 | 0 | 0 | 0 | 112.7 | I283 C333 N340 | I283-W336 HydrophobicContact CG2-CH2 4.46Å; I283-W336 HydrophobicContact CG2-CZ2 3.96Å; C333-W336 HydrophobicContact CB-CB 4.25Å; C333-W336 PolarHBondContact O-N 2.92Å; W336-N340 WeakPolarHBondContact O-CB 3.47Å; W336-N340 PolarHBondContact O-N 2.98Å; W336-N340 PolarHBondContact O-ND2 3.13Å |
| 337 | A | 53.7 | Low | 51.4 | Low | 28 Ų | 28 | 96 Ų | 96 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | H332 C333 V335 A341 | H332-A337 VanDerWaalsContact CE1-CB 3.41Å; H332-A337 WeakPolarHBondContact CE1-CB 3.21Å; H332-A337 VanDerWaalsContact ND1-CB 3.29Å; H332-A337 WeakPolarHBondContact ND1-CB 3.14Å; C333-A337 VanDerWaalsContact O-CB 3.32Å; C333-A337 WeakPolarHBondContact O-CB 3.5Å; C333-A337 PolarHBondContact O-N 3.17Å; V335-A337 PolarHBondContact O-N 2.9Å; A337-A341 VanDerWaalsContact O-CB 3.24Å; A337-A341 WeakPolarHBondContact O-CB 3.29Å; A337-A341 PolarHBondContact O-N 3.32Å; A337-A341 VanDerWaalsContact O-N 3.07Å |
| 338 | A | 52.2 | Low | 50.8 | Low | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.9 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S334 V335 A341 A342 | S334-A338 PolarHBondContact O-N 3Å; V335-A338 WeakPolarHBondContact O-CA 3.33Å; V335-A338 WeakPolarHBondContact O-CB 3.12Å; V335-A338 PolarHBondContact O-N 3.31Å; A338-A341 PolarHBondContact O-N 2.9Å; A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 3.27Å |
| 339 | D | 53.2 | Low | 50.1 | Low | 86 Ų | 86 | 104.1 Ų | 104.1 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -41.5 | -179 | -67.4 | -35.2 | 0 | 0 | 0 | 112.5 | V335 A342 L343 | V335-D339 PolarHBondContact O-N 3.42Å; D339-A342 PolarHBondContact O-N 3.19Å; D339-L343 WeakPolarHBondContact O-CB 3.43Å; D339-L343 PolarHBondContact O-N 3.18Å |
| 340 | N | 56.2 | Low | 49.2 | Very low | 96 Ų | 96 | 101.6 Ų | 101.6 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -43.6 | 175.3 | -75.6 | -76.3 | 0 | 0 | 0 | 111.5 | W336 A342 L343 E344 | W336-N340 WeakPolarHBondContact O-CB 3.47Å; W336-N340 PolarHBondContact O-N 2.98Å; W336-N340 PolarHBondContact O-ND2 3.13Å; N340-A342 PolarHBondContact O-N 2.97Å; N340-L343 PolarHBondContact O-N 3.42Å; N340-L343 VanDerWaalsContact O-N 3.15Å; N340-E344 PolarHBondContact O-N 3.48Å |
| 341 | A | 55.5 | Low | 48.2 | Very low | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61 | -33.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A337 A338 S345 | A337-A341 VanDerWaalsContact O-CB 3.24Å; A337-A341 WeakPolarHBondContact O-CB 3.29Å; A337-A341 PolarHBondContact O-N 3.32Å; A337-A341 VanDerWaalsContact O-N 3.07Å; A338-A341 PolarHBondContact O-N 2.9Å; A341-S345 VanDerWaalsContact O-CB 3.22Å; A341-S345 WeakPolarHBondContact O-CB 3.4Å; A341-S345 PolarHBondContact O-N 3.46Å; A341-S345 PolarHBondContact O-OG 2.84Å |
| 342 | A | 50.4 | Low | 47.6 | Very low | 51 Ų | 51 | 100.9 Ų | 100.9 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.3 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A338 D339 N340 S345 S346 | A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 3.27Å; D339-A342 PolarHBondContact O-N 3.19Å; N340-A342 PolarHBondContact O-N 2.97Å; A342-S345 PolarHBondContact O-N 2.85Å; A342-S346 WeakPolarHBondContact O-CB 3.48Å; A342-S346 PolarHBondContact O-N 3.37Å; A342-S346 PolarHBondContact O-OG 2.96Å |
| 343 | L | 51.1 | Low | 47.3 | Very low | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.3 | -33 | 173.6 | -110.1 | 72 | 0 | 0 | 0 | 113 | D339 N340 | D339-L343 WeakPolarHBondContact O-CB 3.43Å; D339-L343 PolarHBondContact O-N 3.18Å; N340-L343 PolarHBondContact O-N 3.42Å; N340-L343 VanDerWaalsContact O-N 3.15Å |
| 344 | E | 48.5 | Very low | 46.8 | Very low | 154 Ų | 154 | 103.2 Ų | 103.2 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75 | -40.2 | 172.7 | -68 | -172.6 | 145.5 | 0 | 0 | 111.2 | N340 | N340-E344 PolarHBondContact O-N 3.48Å |
| 345 | S | 45.2 | Very low | 46.1 | Very low | 87 Ų | 87 | 105.2 Ų | 105.2 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.6 | -36.2 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | A341 A342 K347 Q348 | A341-S345 VanDerWaalsContact O-CB 3.22Å; A341-S345 WeakPolarHBondContact O-CB 3.4Å; A341-S345 PolarHBondContact O-N 3.46Å; A341-S345 PolarHBondContact O-OG 2.84Å; A342-S345 PolarHBondContact O-N 2.85Å; S345-K347 VanDerWaalsContact C-N 3.27Å; S345-K347 PolarHBondContact O-N 2.86Å; S345-Q348 PolarHBondContact O-N 3.36Å |
| 346 | S | 44.1 | Very low | 45.2 | Very low | 85 Ų | 85 | 105.1 Ų | 105.1 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -8.5 | -177 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | A342 Q348 | A342-S346 WeakPolarHBondContact O-CB 3.48Å; A342-S346 PolarHBondContact O-N 3.37Å; A342-S346 PolarHBondContact O-OG 2.96Å; S346-Q348 VanDerWaalsContact C-N 3.25Å; S346-Q348 PolarHBondContact O-N 2.97Å |
| 347 | K | 44.8 | Very low | 44.7 | Very low | 180 Ų | 180 | 104.9 Ų | 104.9 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 3 | 171.6 | -77.4 | 178.5 | 179.6 | 172.6 | 0 | 114.1 | S345 | S345-K347 VanDerWaalsContact C-N 3.27Å; S345-K347 PolarHBondContact O-N 2.86Å |
| 348 | Q | 36.7 | Very low | 44.1 | Very low | 173 Ų | 173 | 109.7 Ų | 109.7 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -140.6 | 31.3 | -170.3 | -156.2 | 140.1 | 14.4 | 0 | 0 | 116.2 | S345 S346 | S345-Q348 PolarHBondContact O-N 3.36Å; S346-Q348 VanDerWaalsContact C-N 3.25Å; S346-Q348 PolarHBondContact O-N 2.97Å |
| 349 | C | 34.5 | Very low | 43.4 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 85% | 0.851 | 65% | 0.654 | S | S | * | * | trans | -137.7 | 145.5 | 167.7 | -94.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | G | 35.4 | Very low | 42.7 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | -144.9 | 158.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 351 | S | 35.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | 73.7 | 107 | 180 | -59.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 352 | D | 38.5 | Very low | 41.9 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 92.4 | 94 | 121.5 | -60.4 | -28.3 | 0 | 0 | 0 | 123.3 | |||||
| 353 | N | 38.6 | Very low | 41.5 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | 87.1 | 113 | 112.3 | -67 | -37.7 | 0 | 0 | 0 | 123.2 | |||||
| 354 | N | 40.1 | Very low | 40.7 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | 87.6 | 100.5 | 121.6 | -68.5 | -23.2 | 0 | 0 | 0 | 123.2 | |||||
| 355 | N | 40.7 | Very low | 40.2 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | 113.9 | 129.1 | 98 | -169.9 | 28.3 | 0 | 0 | 0 | 120.3 | |||||
| 356 | S | 41.1 | Very low | 40 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | 70.2 | 151.1 | 151.9 | -82 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 357 | N | 41.7 | Very low | 40.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | cis | -172.9 | 154.3 | -27.7 | -125.9 | -40.7 | 0 | 0 | 0 | 111.8 | ||||
| 358 | N | 41.2 | Very low | 39.7 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | 61.6 | 166.4 | 153.3 | -71.7 | -39.5 | 0 | 0 | 0 | 120.8 | ||||
| 359 | N | 38.8 | Very low | 39.7 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -175.5 | 144.8 | -47.6 | -122.4 | -43.3 | 0 | 0 | 0 | 110 | ||||
| 360 | Y | 37.4 | Very low | 39.8 | Very low | 215 Ų | 215 | 125.7 Ų | 125.7 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 158.2 | 120.6 | 156.5 | -111.6 | -104.4 | 0 | 0 | 0 | 108.6 | ||||
| 361 | V | 45.1 | Very low | 39.6 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | 90.4 | 114.1 | 48.9 | 174.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 362 | P | 49.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -113.2 | 177 | 177.9 | 42.3 | -34.4 | 0 | 0 | 0 | 114.7 | ||||
| 363 | P | 41.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -120.9 | 176.7 | 168.4 | 39.9 | -28.1 | 0 | 0 | 0 | 115.1 | ||||
| 364 | S | 35.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -142.1 | 165.5 | -166.7 | 58.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 365 | S | 37.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -161.3 | 165.4 | 158.3 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 366 | T | 40.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -140.3 | -155.9 | -152.3 | 60 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 367 | P | 46.5 | Very low | 37.1 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -136 | 179.1 | -116 | 41.1 | -19.4 | 0 | 0 | 0 | 117.7 | |||||
| 368 | V | 36.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 92% | 0.915 | 77% | 0.77 | S | S | * | * | trans | -151.1 | 123.5 | 153.5 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 369 | G | 37.1 | Very low | 36 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 78 | 175.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 370 | E | 35.1 | Very low | 35.7 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | cis | -165.3 | 176.5 | -16.5 | -119.1 | -71.9 | 67.6 | 0 | 0 | 113.3 | ||||
| 371 | S | 32.9 | Very low | 35.3 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -68.1 | 163.2 | -174.9 | -66.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 372 | I | 32.7 | Very low | 34.5 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | -162.7 | 147.6 | -5.7 | -110.2 | 166.2 | 0 | 0 | 0 | 111.3 | ||||
| 373 | Y | 30.9 | Very low | 33.4 | Very low | 208 Ų | 208 | 127.5 Ų | 127.5 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 55.1 | 130.9 | 156.7 | -91.9 | -128.5 | 0 | 0 | 0 | 124.8 | ||||
| 374 | V | 31 | Very low | 33 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 68 | 138.3 | 135 | 167.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 375 | E | 28.4 | Very low | 32.6 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | cis | -135.6 | 179.5 | 4.3 | -144.6 | 167.8 | 133.6 | 0 | 0 | 113 | ||||
| 376 | S | 30.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 126.4 | -167.7 | -57.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 377 | G | 28.4 | Very low | 31.7 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -155.2 | 95.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 378 | S | 31.2 | Very low | 31 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -154.8 | 109.7 | -179.1 | -164.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 379 | I | 29.1 | Very low | 30.7 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | 81 | 155.7 | 77.2 | -64.8 | 160.2 | 0 | 0 | 0 | 111.7 | |||||
| 380 | Y | 32.1 | Very low | 30.5 | Very low | 207 Ų | 207 | 131.6 Ų | 131.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | 80.8 | 103.1 | -169.9 | -55.7 | -74.3 | 0 | 0 | 0 | 114 | ||||
| 381 | C | 28.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | cis | 87.7 | 146.7 | 22.9 | -155.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 382 | A | 29 | Very low | 30.5 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | 76.5 | 91.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 383 | S | 27.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | 80.9 | 166.4 | 114.5 | -57.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 384 | Y | 32 | Very low | 31 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 73.6 | 80 | 166.5 | -59.1 | -72.3 | 0 | 0 | 0 | 119.1 | ||||
| 385 | A | 28.5 | Very low | 31.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 119 | 135.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 386 | S | 31.3 | Very low | 31.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -149 | 137.5 | 174.4 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 387 | T | 27.5 | Very low | 31.6 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -107 | 117.9 | -167.2 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 388 | T | 32 | Very low | 32 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -160.3 | 111.8 | 157.2 | 30.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 389 | S | 30.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 64.3 | 96.2 | 73.8 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 390 | T | 33.6 | Very low | 32.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -127.4 | 143.4 | 160.5 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 391 | N | 33.9 | Very low | 32.3 | Very low | 175 Ų | 175 | 120 Ų | 120 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -90.7 | 140.1 | -171.5 | -69.2 | -48.1 | 0 | 0 | 0 | 112.1 | ||||
| 392 | G | 34 | Very low | 32.6 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -135.4 | 106 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 393 | S | 35.3 | Very low | 32.9 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -87.8 | 140.3 | -176.7 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 394 | H | 37.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -172.7 | 119.5 | 124.9 | -96.3 | -57.2 | 0 | 0 | 0 | 113.9 | |||||
| 395 | N | 35.9 | Very low | 33.2 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 21.1 | 130.6 | 145.2 | -55.9 | -16.3 | 0 | 0 | 0 | 122.3 | ||||
| 396 | G | 34.3 | Very low | 33.6 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 144.6 | 120.3 | 134 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 397 | G | 33 | Very low | 33.4 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 79 | 124.3 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 398 | V | 36.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 127 Ų | 127 | 95% | 0.952 | 78% | 0.783 | S | S | * | * | cis | 59.2 | 113 | 45.7 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 399 | G | 32 | Very low | 33.8 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | 170.4 | -179.2 | -4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 400 | S | 36.1 | Very low | 33.7 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 66.3 | 157.8 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 401 | N | 31.2 | Very low | 33.6 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -176.2 | 169 | -42.3 | -115.1 | -39.2 | 0 | 0 | 0 | 107.4 | ||||
| 402 | C | 33.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 138.7 | 170.2 | -61.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 403 | S | 36 | Very low | 33.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | -155.6 | 129.8 | -12.2 | -160.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 404 | R | 34.2 | Very low | 32.9 | Very low | 232 Ų | 232 | 132 Ų | 132 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | 45 | 112.8 | 142.7 | -61.8 | 180 | -177.4 | -156.1 | -2.1 | 120.6 | ||||
| 405 | R | 31.3 | Very low | 32.6 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -57 | 167.3 | 149.5 | -135 | -170.7 | -153.4 | -164.7 | 15.2 | 111 | S407 | R405-S407 PolarHBondContact NH1-OG 3.44Š| ||
| 406 | P | 35.8 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -134.1 | 168.7 | 86.8 | 38.6 | -28.4 | 0 | 0 | 0 | 114.4 | |||||
| 407 | S | 28.6 | Very low | 32 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 46% | 0.462 | 78% | 0.778 | S | S | . | * | trans | -129.4 | 144.7 | -175.4 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | R405 | R405-S407 PolarHBondContact NH1-OG 3.44Š| ||
| 408 | V | 33.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -137.9 | 99.8 | 167.1 | 176.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 409 | S | 32.3 | Very low | 31.5 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 57% | 0.573 | 78% | 0.783 | S | S | * | * | 60.8 | 124.1 | 70.9 | 74.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 410 | D | 29.5 | Very low | 31.4 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -162.5 | -164.4 | -5.9 | -107.6 | -41.5 | 0 | 0 | 0 | 109.5 | ||||
| 411 | N | 30.8 | Very low | 31 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 80.8 | 63.7 | 166.4 | -56.1 | -33 | 0 | 0 | 0 | 118.2 | ||||
| 412 | Y | 29.1 | Very low | 31.1 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -92.6 | 101.9 | 138.5 | -101.8 | -80.9 | 0 | 0 | 0 | 109.1 | A414 | Y412-A414 PolarHBondContact O-N 3.31Å; Y412-A414 VanDerWaalsContact O-N 3.15Å | ||
| 413 | T | 31.6 | Very low | 31 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -72.7 | 106.5 | 176.8 | -26.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 414 | A | 28.6 | Very low | 30.9 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -100.1 | 155.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y412 | Y412-A414 PolarHBondContact O-N 3.31Å; Y412-A414 VanDerWaalsContact O-N 3.15Å | ||
| 415 | L | 30 | Very low | 31 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | 61.1 | 108.6 | 166.1 | -50.9 | 179.9 | 0 | 0 | 0 | 117.2 | ||||
| 416 | N | 27.3 | Very low | 31.3 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -167.3 | 101.9 | 108.3 | -105.1 | -67.1 | 0 | 0 | 0 | 111 | |||||
| 417 | L | 31.8 | Very low | 31.5 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -141.6 | 113.8 | 160 | -105 | 163.9 | 0 | 0 | 0 | 106.6 | ||||
| 418 | R | 30.1 | Very low | 31.9 | Very low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -69 | 163.2 | -179.6 | -75.8 | 179.1 | 169.9 | 179.8 | -4.1 | 111.1 | S420 | R418-S420 PolarHBondContact O-N 2.87Š| ||
| 419 | N | 27.4 | Very low | 32.2 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -47.8 | 121.3 | 171 | -59.5 | -7.1 | 0 | 0 | 0 | 111.9 | ||||
| 420 | S | 30.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | -133.7 | 120.3 | 154.8 | -64.8 | 0 | 0 | 0 | 0 | 106.9 | R418 I422 | R418-S420 PolarHBondContact O-N 2.87Å; S420-I422 PolarHBondContact O-N 3.3Å | ||
| 421 | S | 28.4 | Very low | 33.3 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | trans | -64.9 | 126.8 | 174.3 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 422 | I | 32.6 | Very low | 33.9 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -128.5 | 126.5 | 176.7 | -64.5 | 178.8 | 0 | 0 | 0 | 108.5 | S420 | S420-I422 PolarHBondContact O-N 3.3Š| ||
| 423 | S | 31.5 | Very low | 34.4 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | trans | -62.4 | 142.5 | 178 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | N425 | S423-N425 PolarHBondContact O-N 3.17Å; S423-N425 VanDerWaalsContact O-N 3.14Å | ||
| 424 | I | 32.9 | Very low | 35 | Very low | 161 Ų | 161 | 125 Ų | 125 | 83% | 0.826 | 68% | 0.675 | S | S | * | * | trans | -90.4 | 71.4 | -175 | -50.8 | -178.8 | 0 | 0 | 0 | 110.4 | G426 | I424-G426 PolarHBondContact O-N 3.37Š| ||
| 425 | N | 36.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | trans | -78.3 | 98.5 | 168.8 | -77.4 | -1.5 | 0 | 0 | 0 | 109.9 | S423 A427 G428 | S423-N425 PolarHBondContact O-N 3.17Å; S423-N425 VanDerWaalsContact O-N 3.14Å; N425-A427 PolarHBondContact O-N 3.37Å; N425-G428 PolarHBondContact O-N 2.92Å | ||
| 426 | G | 38.5 | Very low | 36.2 | Very low | 50 Ų | 50 | 125.7 Ų | 125.7 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.7 | -30.4 | -168 | 0 | 0 | 0 | 0 | 0 | 116.4 | I424 G428 F429 | I424-G426 PolarHBondContact O-N 3.37Å; G426-G428 PolarHBondContact O-N 2.99Å; G426-F429 PolarHBondContact O-N 3.47Å |
| 427 | A | 40.1 | Very low | 37 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.4 | -30.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N425 F429 R431 | N425-A427 PolarHBondContact O-N 3.37Å; A427-F429 PolarHBondContact O-N 2.94Å; A427-R431 PolarHBondContact O-N 2.72Å |
| 428 | G | 37.4 | Very low | 37.4 | Very low | 37 Ų | 37 | 117.2 Ų | 117.2 | 38% | 0.381 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.8 | -28.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N425 G426 R432 | N425-G428 PolarHBondContact O-N 2.92Å; G426-G428 PolarHBondContact O-N 2.99Å; G428-R432 VanDerWaalsContact O-CB 3.22Å; G428-R432 WeakPolarHBondContact O-CB 3.42Å; G428-R432 PolarHBondContact O-N 2.7Å; G428-R432 VanDerWaalsContact O-N 3.13Å |
| 429 | F | 38.8 | Very low | 37.8 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.8 | -51.8 | -179 | -178 | -108.6 | 0 | 0 | 0 | 111.4 | G426 A427 R431 R432 I433 | G426-F429 PolarHBondContact O-N 3.47Å; A427-F429 PolarHBondContact O-N 2.94Å; F429-R431 PolarHBondContact O-N 3.1Å; F429-R432 PolarHBondContact O-N 2.93Å; F429-R432 VanDerWaalsContact O-N 3.15Å; F429-I433 HydrophobicContact CD1-CD1 3.97Å; F429-I433 HydrophobicContact CE1-CD1 3.52Å; F429-I433 HydrophobicContact CE2-CD1 4.41Å; F429-I433 HydrophobicContact CZ-CD1 3.77Å; F429-I433 PolarHBondContact O-N 3.02Å |
| 430 | L | 42 | Very low | 38.1 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 37% | 0.366 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.3 | -47.2 | 177.1 | -64 | 177 | 0 | 0 | 0 | 111.4 | R432 I433 F434 | L430-R432 PolarHBondContact O-N 3.35Å; L430-I433 PolarHBondContact O-N 2.92Å; L430-I433 VanDerWaalsContact O-N 3.08Å; L430-F434 HydrophobicContact CB-CD2 4.47Å; L430-F434 HydrophobicContact CB-CE2 4.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.46Å; L430-F434 PolarHBondContact O-N 3.41Å |
| 431 | R | 42.6 | Very low | 38.4 | Very low | 202 Ų | 202 | 110.2 Ų | 110.2 | 76% | 0.762 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.1 | -35.5 | 176.9 | -164.9 | -178.1 | -72.6 | -150.1 | 1.4 | 111.7 | A427 F429 S435 | A427-R431 PolarHBondContact O-N 2.72Å; F429-R431 PolarHBondContact O-N 3.1Å; R431-S435 WeakPolarHBondContact O-CB 3.49Å; R431-S435 PolarHBondContact O-N 3.44Å |
| 432 | R | 43.9 | Very low | 38.7 | Very low | 172 Ų | 172 | 110 Ų | 110 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.3 | -27.7 | 177.7 | -168.9 | 176 | -68.4 | 166.2 | -0.3 | 113.7 | G428 F429 L430 R436 | G428-R432 VanDerWaalsContact O-CB 3.22Å; G428-R432 WeakPolarHBondContact O-CB 3.42Å; G428-R432 PolarHBondContact O-N 2.7Å; G428-R432 VanDerWaalsContact O-N 3.13Å; F429-R432 PolarHBondContact O-N 2.93Å; F429-R432 VanDerWaalsContact O-N 3.15Å; L430-R432 PolarHBondContact O-N 3.35Å; R432-R436 VanDerWaalsContact O-CG 3.3Å; R432-R436 WeakPolarHBondContact O-CG 3.38Å; R432-R436 PolarHBondContact O-N 2.88Å |
| 433 | I | 39.1 | Very low | 38.6 | Very low | 71 Ų | 71 | 110.1 Ų | 110.1 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.8 | -56.9 | 170.5 | -70.8 | 172.6 | 0 | 0 | 0 | 109.9 | F429 L430 S435 R436 R437 | F429-I433 HydrophobicContact CD1-CD1 3.97Å; F429-I433 HydrophobicContact CE1-CD1 3.52Å; F429-I433 HydrophobicContact CE2-CD1 4.41Å; F429-I433 HydrophobicContact CZ-CD1 3.77Å; F429-I433 PolarHBondContact O-N 3.02Å; L430-I433 PolarHBondContact O-N 2.92Å; L430-I433 VanDerWaalsContact O-N 3.08Å; I433-S435 PolarHBondContact O-N 3.39Å; I433-R436 PolarHBondContact O-N 3.14Å; I433-R436 VanDerWaalsContact O-N 3.15Å; I433-R437 PolarHBondContact O-N 2.91Å |
| 434 | F | 44.4 | Very low | 38.9 | Very low | 97 Ų | 97 | 108.2 Ų | 108.2 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -39.5 | -177.2 | -65 | -61.7 | 0 | 0 | 0 | 112.5 | L430 R436 R437 | L430-F434 HydrophobicContact CB-CD2 4.47Å; L430-F434 HydrophobicContact CB-CE2 4.3Å; L430-F434 WeakPolarHBondContact O-CD2 3.46Å; L430-F434 PolarHBondContact O-N 3.41Å; F434-R436 VanDerWaalsContact C-N 3.31Å; F434-R436 PolarHBondContact O-N 3.39Å; F434-R437 PolarHBondContact O-N 3.34Å |
| 435 | S | 41.4 | Very low | 39.1 | Very low | 61 Ų | 61 | 108.2 Ų | 108.2 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62 | -33.4 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | R431 I433 S438 | R431-S435 WeakPolarHBondContact O-CB 3.49Å; R431-S435 PolarHBondContact O-N 3.44Å; I433-S435 PolarHBondContact O-N 3.39Å; S435-S438 WeakPolarHBondContact O-CB 3.49Å; S435-S438 PolarHBondContact O-N 2.9Å |
| 436 | R | 43.3 | Very low | 39.4 | Very low | 186 Ų | 186 | 106.7 Ų | 106.7 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 177.2 | -82.1 | 179 | 173.9 | -135.5 | -1.5 | 112.8 | R432 I433 F434 S438 R439 | R432-R436 VanDerWaalsContact O-CG 3.3Å; R432-R436 WeakPolarHBondContact O-CG 3.38Å; R432-R436 PolarHBondContact O-N 2.88Å; I433-R436 PolarHBondContact O-N 3.14Å; I433-R436 VanDerWaalsContact O-N 3.15Å; F434-R436 VanDerWaalsContact C-N 3.31Å; F434-R436 PolarHBondContact O-N 3.39Å; R436-S438 PolarHBondContact O-N 2.86Å; R436-R439 PolarHBondContact O-N 3.46Å |
| 437 | R | 44.7 | Very low | 39.2 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 25% | 0.253 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -26.3 | 177.7 | -145.3 | 176.5 | -168.3 | 116.4 | 6 | 112.5 | Q42 Q49 E88 I433 F434 R439 | Q42-R437 VanDerWaalsContact OE1-CZ 3.31Å; Q49-R437 VanDerWaalsContact OE1-NH2 3.16Å; E88-R437 IonicContact OE1-CZ 3.89Å; E88-R437 IonicContact OE1-NH1 2.68Å; E88-R437 PolarHBondContact OE1-NH1 3.14Å; E88-R437 IonicContact OE2-CZ 3.54Å; E88-R437 IonicContact OE2-NH1 3.37Å; E88-R437 PolarHBondContact OE2-NH1 3.12Å; E88-R437 IonicContact OE2-NH2 2.77Å; I433-R437 PolarHBondContact O-N 2.91Å; F434-R437 PolarHBondContact O-N 3.34Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 2.93Å |
| 438 | S | 40 | Very low | 39.1 | Very low | 83 Ų | 83 | 107 Ų | 107 | 58% | 0.58 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -68.5 | -19.1 | 176.9 | -164.2 | 0 | 0 | 0 | 0 | 114.3 | S435 R436 S440 V441 | S435-S438 WeakPolarHBondContact O-CB 3.49Å; S435-S438 PolarHBondContact O-N 2.9Å; R436-S438 PolarHBondContact O-N 2.86Å; S438-S440 PolarHBondContact O-N 3.26Å; S438-V441 WeakPolarHBondContact O-CG2 3.48Å |
| 439 | R | 38.2 | Very low | 39.2 | Very low | 196 Ų | 196 | 111 Ų | 111 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -81.2 | 18.9 | -170.1 | -62.5 | -170.1 | 173.7 | -136.5 | -5.8 | 115.9 | R436 R437 | R436-R439 PolarHBondContact O-N 3.46Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 2.93Å |
| 440 | S | 34.2 | Very low | 39.1 | Very low | 65 Ų | 65 | 110.9 Ų | 110.9 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -131.2 | 6.2 | 176.8 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | S438 V442 | S438-S440 PolarHBondContact O-N 3.26Å; S440-V442 PolarHBondContact O-N 2.87Å |
| 441 | V | 35.5 | Very low | 38.8 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -77.8 | 111.8 | -171.7 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | S438 L444 | S438-V441 WeakPolarHBondContact O-CG2 3.48Å; V441-L444 HydrophobicContact CG1-CD1 3.9Å | ||
| 442 | V | 35.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 108.5 Ų | 108.5 | 74% | 0.739 | 56% | 0.563 | S | S | * | * | trans | -60.7 | 142 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | S440 L444 | S440-V442 PolarHBondContact O-N 2.87Å; V442-L444 WeakPolarHBondContact O-CB 3.17Å; V442-L444 WeakPolarHBondContact O-CD1 3.39Å; V442-L444 VanDerWaalsContact O-CG 3.26Å; V442-L444 WeakPolarHBondContact O-CG 3.37Å; V442-L444 PolarHBondContact O-N 2.92Å | ||
| 443 | N | 30.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 105.7 Ų | 105.7 | 80% | 0.802 | 57% | 0.568 | S | S | * | * | trans | -49.7 | 102.3 | -172.1 | -172 | 1.6 | 0 | 0 | 0 | 113.7 | ||||
| 444 | L | 36.8 | Very low | 37.5 | Very low | 59 Ų | 59 | 106.2 Ų | 106.2 | 31% | 0.309 | 58% | 0.582 | S | S | . | * | trans | -114 | 16.3 | -168.5 | -93.3 | 157.3 | 0 | 0 | 0 | 114.4 | F34 V441 V442 S446 V447 | F34-L444 HydrophobicContact CD1-CD2 4.49Å; F34-L444 HydrophobicContact CD2-CD1 4.24Å; F34-L444 HydrophobicContact CD2-CD2 4.14Å; F34-L444 HydrophobicContact CE1-CD2 4.25Å; F34-L444 HydrophobicContact CE2-CD1 3.45Å; F34-L444 VanDerWaalsContact CE2-CD1 3.45Å; F34-L444 HydrophobicContact CE2-CD2 3.91Å; F34-L444 HydrophobicContact CE2-CG 4.3Å; F34-L444 HydrophobicContact CG-CD2 4.44Å; F34-L444 HydrophobicContact CZ-CD1 3.8Å; F34-L444 HydrophobicContact CZ-CD2 3.96Å; V441-L444 HydrophobicContact CG1-CD1 3.9Å; V442-L444 WeakPolarHBondContact O-CB 3.17Å; V442-L444 WeakPolarHBondContact O-CD1 3.39Å; V442-L444 VanDerWaalsContact O-CG 3.26Å; V442-L444 WeakPolarHBondContact O-CG 3.37Å; V442-L444 PolarHBondContact O-N 2.92Å; L444-S446 PolarHBondContact O-N 3.12Å; L444-V447 HydrophobicContact CD2-CB 4.38Å; L444-V447 HydrophobicContact CD2-CG2 3.8Å; L444-V447 PolarHBondContact O-N 3.33Å | ||
| 445 | K | 38.8 | Very low | 36.9 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 26.2 | -172.3 | -146.1 | 170.3 | -172 | 171.6 | 0 | 115.1 | ||
| 446 | S | 41.7 | Very low | 36.4 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 11.1 | 177.3 | 82.4 | 0 | 0 | 0 | 0 | 114.1 | L444 | L444-S446 PolarHBondContact O-N 3.12Š|
| 447 | V | 35.6 | Very low | 36 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111 | -29.2 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | L444 D449 L450 | L444-V447 HydrophobicContact CD2-CB 4.38Å; L444-V447 HydrophobicContact CD2-CG2 3.8Å; L444-V447 PolarHBondContact O-N 3.33Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 2.95Å; V447-L450 PolarHBondContact O-N 3.04Å |
| 448 | A | 37.7 | Very low | 35.3 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -61.6 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L450 C451 | A448-L450 PolarHBondContact O-N 3.08Å; A448-L450 VanDerWaalsContact O-N 3.09Å; A448-C451 PolarHBondContact O-N 3.44Å |
| 449 | D | 38.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -73 | -1.5 | -173.7 | -52.5 | -35.9 | 0 | 0 | 0 | 114.2 | V447 | V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 2.95Å |
| 450 | L | 36.8 | Very low | 34.4 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -99.2 | 4 | 179.9 | -73.2 | 169.4 | 0 | 0 | 0 | 113.9 | V447 A448 | V447-L450 PolarHBondContact O-N 3.04Å; A448-L450 PolarHBondContact O-N 3.08Å; A448-L450 VanDerWaalsContact O-N 3.09Å |
| 451 | C | 35.7 | Very low | 34.3 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 54% | 0.541 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -133.2 | 8.4 | -172.7 | -75.9 | 0 | 0 | 0 | 0 | 116.1 | A448 P453 | A448-C451 PolarHBondContact O-N 3.44Å; C451-P453 WeakPolarHBondContact O-CD 3.28Å |
| 452 | E | 32.8 | Very low | 34 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -80.5 | 117.1 | 169.3 | -101 | -122.5 | 141.5 | 0 | 0 | 111.6 | A454 | E452-A454 PolarHBondContact O-N 3.5Š| ||
| 453 | P | 33.4 | Very low | 34 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | trans | -73.9 | 109.9 | 154.8 | 30.7 | -30.5 | 0 | 0 | 0 | 108.2 | C451 R455 | C451-P453 WeakPolarHBondContact O-CD 3.28Å; P453-R455 PolarHBondContact O-N 2.99Å; P453-R455 VanDerWaalsContact O-N 3.08Å | ||
| 454 | A | 33.4 | Very low | 34 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | -49 | 113.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E452 I456 | E452-A454 PolarHBondContact O-N 3.5Å; A454-I456 PolarHBondContact O-N 2.98Å | ||
| 455 | R | 30.8 | Very low | 33.7 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | trans | -69.5 | 96.2 | 171.9 | -86.4 | 178.2 | 160 | 176.5 | -5 | 110.5 | P453 K457 | P453-R455 PolarHBondContact O-N 2.99Å; P453-R455 VanDerWaalsContact O-N 3.08Å; R455-K457 PolarHBondContact O-N 2.88Å | ||
| 456 | I | 31.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -63.1 | 98.9 | 171.3 | -58.4 | 176.2 | 0 | 0 | 0 | 109.1 | A454 H458 | A454-I456 PolarHBondContact O-N 2.98Å; I456-H458 PolarHBondContact O-N 3.48Å | ||
| 457 | K | 33.7 | Very low | 32.6 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | trans | -73.3 | 116.8 | 166.7 | -70.5 | -175.6 | 177.8 | -178.8 | 0 | 108.5 | R455 Q459 | R455-K457 PolarHBondContact O-N 2.88Å; K457-Q459 VanDerWaalsContact C-N 3.28Å; K457-Q459 PolarHBondContact O-N 2.86Å | ||
| 458 | H | 30.5 | Very low | 32.2 | Very low | 182 Ų | 182 | 142 Ų | 142 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -68.9 | 85.2 | 170.3 | -91.3 | -74.7 | 0 | 0 | 0 | 110.5 | I456 K460 | I456-H458 PolarHBondContact O-N 3.48Å; H458-K460 PolarHBondContact O-N 3.44Å; H458-K460 VanDerWaalsContact O-N 3.08Å | ||
| 459 | Q | 29.5 | Very low | 31.9 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -70.9 | 98.2 | 172.1 | -160.5 | 92 | 15.4 | 0 | 0 | 108.9 | K457 T461 | K457-Q459 VanDerWaalsContact C-N 3.28Å; K457-Q459 PolarHBondContact O-N 2.86Å; Q459-T461 HydrophobicContact CG-CG2 4.27Å; Q459-T461 PolarHBondContact O-N 3.08Å | ||
| 460 | K | 30.5 | Very low | 31.5 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -70.7 | 90.9 | 169.2 | -98.7 | -171.9 | 173.8 | -178.9 | 0 | 109.6 | H458 N462 | H458-K460 PolarHBondContact O-N 3.44Å; H458-K460 VanDerWaalsContact O-N 3.08Å; K460-N462 PolarHBondContact O-N 3.24Å | ||
| 461 | T | 32.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -80 | 97.1 | 164.9 | 50.3 | 0 | 0 | 0 | 0 | 109 | Q459 D463 | Q459-T461 HydrophobicContact CG-CG2 4.27Å; Q459-T461 PolarHBondContact O-N 3.08Å; T461-D463 PolarHBondContact O-N 3.06Å | ||
| 462 | N | 28.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -76.1 | 113.7 | 163.2 | -78.4 | -12 | 0 | 0 | 0 | 108.2 | K460 | K460-N462 PolarHBondContact O-N 3.24Š| ||
| 463 | D | 35.9 | Very low | 31.5 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -124.1 | 148.1 | 159.2 | -96.3 | -52.1 | 0 | 0 | 0 | 109.7 | T461 | T461-D463 PolarHBondContact O-N 3.06Š| ||
| 464 | Q | 29.9 | Very low | 31.3 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -91.9 | 148.7 | -164.2 | -54.2 | 173.4 | 15.4 | 0 | 0 | 111.5 | ||||
| 465 | I | 30.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 159 Ų | 159 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -160.3 | 132 | 135.2 | -102.4 | 148.6 | 0 | 0 | 0 | 110.9 | ||||
| 466 | T | 27.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 155 Ų | 155 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -63.3 | 136.6 | -170.2 | 43.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 467 | C | 30.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -161.2 | 108.3 | 121.1 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 468 | L | 26.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 53.7 | 98.3 | 88.3 | -77.5 | 169.6 | 0 | 0 | 0 | 114.7 | |||||
| 469 | F | 32.3 | Very low | 31.1 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | -162 | 146.4 | 95.9 | -113.3 | -80.7 | 0 | 0 | 0 | 114.2 | |||||
| 470 | D | 28.8 | Very low | 31 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | -59.8 | 160.6 | 171 | -151.9 | 11.3 | 0 | 0 | 0 | 110 | K472 | D470-K472 IonicContact OD2-NZ 3.28Å; D470-K472 PolarHBondContact OD2-NZ 3.2Å | ||
| 471 | S | 34.5 | Very low | 31 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 46% | 0.462 | 76% | 0.761 | S | S | . | * | cis | 179.1 | 158.7 | 29.9 | -150.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 472 | K | 36.2 | Very low | 31 | Very low | 158 Ų | 158 | 150 Ų | 150 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | 64 | 160.2 | 145.3 | -74.2 | 154.1 | -162 | 108.7 | 0 | 117.1 | D470 | D470-K472 IonicContact OD2-NZ 3.28Å; D470-K472 PolarHBondContact OD2-NZ 3.2Å | ||
| 473 | R | 34.8 | Very low | 31.3 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | cis | -147.5 | 177.9 | 7.4 | -135.3 | 168.6 | -150 | -100.2 | 5.8 | 112.1 | ||||
| 474 | R | 29.2 | Very low | 31.2 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -93.1 | 134.5 | -169.1 | -73.4 | -177.8 | 178.3 | 174.9 | -0.8 | 116.1 | ||||
| 475 | A | 31.4 | Very low | 31.6 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 66.6 | 170.8 | 121.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 476 | T | 32.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 97.3 | 105.6 | 161.7 | 62.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 477 | H | 31.8 | Very low | 32.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 60.2 | 129.3 | 130.9 | -79.8 | -66.4 | 0 | 0 | 0 | 124.5 | ||||
| 478 | N | 29.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 67.7 | 102 | 131.2 | -64.5 | 6 | 0 | 0 | 0 | 120.5 | ||||
| 479 | S | 30 | Very low | 33.2 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 120.5 | 146.9 | 102.6 | 76.1 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 480 | R | 28 | Very low | 33.4 | Very low | 217 Ų | 217 | 141.7 Ų | 141.7 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | trans | 74 | 124.3 | 142.5 | -84.5 | -179.6 | 164 | -158.2 | -3.1 | 121.5 | ||||
| 481 | I | 30.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | 97.9 | 122.7 | 123.1 | -78 | 171.1 | 0 | 0 | 0 | 120.1 | |||||
| 482 | T | 32.4 | Very low | 33.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 61.1 | 153.2 | 162.7 | 48.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 483 | G | 33.7 | Very low | 33.6 | Very low | 60 Ų | 60 | 142.9 Ų | 142.9 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | cis | -165.7 | 136.1 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 484 | S | 32.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | 69.9 | 104.7 | 81 | 70.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 485 | I | 39.4 | Very low | 34 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | 164.4 | 136.8 | 153.1 | -91.6 | 153 | 0 | 0 | 0 | 107.7 | ||||
| 486 | S | 37.3 | Very low | 34.5 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | cis | -164.6 | 144.4 | -21.1 | -94.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 487 | R | 36.8 | Very low | 34.6 | Very low | 237 Ų | 237 | 132.2 Ų | 132.2 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | 50.6 | 124.7 | 137.9 | -61 | 177 | 177.6 | 179.9 | -1.5 | 118 | ||||
| 488 | S | 35.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 132.3 | 142.2 | 79.3 | 150 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 489 | R | 38.4 | Very low | 35.1 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | cis | -165.9 | 168.3 | 8 | -118.9 | 175.3 | 146.1 | 145.4 | -2.3 | 110.4 | ||||
| 490 | D | 37.2 | Very low | 35.4 | Very low | 113 Ų | 113 | 134 Ų | 134 | 60% | 0.604 | 74% | 0.743 | S | S | * | * | trans | 37.2 | 147.9 | 136.2 | -58.4 | -26.3 | 0 | 0 | 0 | 122.2 | ||||
| 491 | N | 33.7 | Very low | 35.7 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -177.6 | 161.9 | -28.6 | -123.6 | -53.2 | 0 | 0 | 0 | 108.5 | ||||
| 492 | S | 36.2 | Very low | 36 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 62.8 | 166.6 | 155 | 86.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 493 | V | 32.4 | Very low | 35.9 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -166.6 | 150.5 | -29.2 | 133.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 494 | A | 38.8 | Very low | 36 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | 62.4 | 163.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 495 | D | 34.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | cis | -149.3 | 162.4 | -29.8 | -118.1 | -16.9 | 0 | 0 | 0 | 108.2 | ||||
| 496 | P | 41.2 | Very low | 36 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -105.1 | 126.3 | -177.4 | 35.8 | -27.8 | 0 | 0 | 0 | 114.3 | ||||
| 497 | S | 35.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -168 | 150.7 | 149 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 498 | D | 36.6 | Very low | 35.9 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 75.8 | 156.1 | 141.1 | -74.9 | -17 | 0 | 0 | 0 | 124.8 | ||||
| 499 | F | 36.1 | Very low | 35.9 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | 82.3 | 106.5 | 170.6 | -66.1 | -71.3 | 0 | 0 | 0 | 120.5 | ||||
| 500 | S | 35.1 | Very low | 35.6 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -74 | -175.6 | 164.2 | -47.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 501 | D | 34.8 | Very low | 35.5 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 72.2 | 134.7 | 161.9 | -47.2 | -31.6 | 0 | 0 | 0 | 115.1 | ||||
| 502 | S | 37.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -155.3 | 169.6 | 43 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 503 | N | 30.6 | Very low | 35.3 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 144.2 | 169.7 | -58.4 | -78.9 | 0 | 0 | 0 | 112.3 | ||||
| 504 | S | 36 | Very low | 35.2 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 173.8 | 150.9 | 153.2 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 505 | E | 36.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -169.3 | 151.4 | -27.2 | -128.5 | 176.6 | -172.8 | 0 | 0 | 107 | ||||
| 506 | L | 35.8 | Very low | 34.6 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 64.2 | 159.7 | 160 | -53.7 | 164.2 | 0 | 0 | 0 | 115.6 | ||||
| 507 | E | 35 | Very low | 34 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -149.7 | 146.9 | -11.9 | -130.2 | -173.3 | 149.2 | 0 | 0 | 112.9 | ||||
| 508 | N | 37.5 | Very low | 33.7 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | 41.6 | 138.9 | 140.1 | -73.8 | -28.5 | 0 | 0 | 0 | 124.1 | ||||
| 509 | N | 34.9 | Very low | 33.5 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 122.5 | 157.6 | -51.6 | -37.4 | 0 | 0 | 0 | 117.9 | ||||
| 510 | G | 32.4 | Very low | 33.3 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 124.3 | 90.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 511 | H | 34 | Very low | 33 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -171.3 | 146.1 | 157 | -100.9 | 53.6 | 0 | 0 | 0 | 105.7 | ||||
| 512 | G | 32.7 | Very low | 32.8 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | 144.5 | 43.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 513 | N | 33.3 | Very low | 32.4 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -149.2 | 154.9 | 174.8 | -116.6 | -38 | 0 | 0 | 0 | 114.3 | ||||
| 514 | K | 30 | Very low | 32.5 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -86.4 | 126.8 | -171.7 | -66 | 171.6 | -179.6 | 170.9 | 0 | 111.9 | ||||
| 515 | T | 30.9 | Very low | 32.2 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -134 | 130.7 | 162.9 | -31.1 | 0 | 0 | 0 | 0 | 109.6 | I517 | T515-I517 PolarHBondContact O-N 3.08Š| ||
| 516 | T | 30 | Very low | 31.8 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 125.5 | -178 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | N518 | T516-N518 PolarHBondContact O-N 2.88Š| ||
| 517 | I | 30.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 152 Ų | 152 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -70.2 | 98.3 | 175.7 | -61.4 | 179.9 | 0 | 0 | 0 | 108.8 | T515 N519 | T515-I517 PolarHBondContact O-N 3.08Å; I517-N519 PolarHBondContact O-N 3.16Å; I517-N519 VanDerWaalsContact O-N 3.16Å | ||
| 518 | N | 28.6 | Very low | 31.2 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -83.5 | 85.1 | 179.4 | -168.7 | 17.3 | 0 | 0 | 0 | 109.5 | T516 N520 | T516-N518 PolarHBondContact O-N 2.88Å; N518-N520 PolarHBondContact O-N 2.93Å | ||
| 519 | N | 31.5 | Very low | 30.9 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 97.5 | -179 | -99.4 | -4.5 | 0 | 0 | 0 | 111.2 | I517 | I517-N519 PolarHBondContact O-N 3.16Å; I517-N519 VanDerWaalsContact O-N 3.16Å | ||
| 520 | N | 31.6 | Very low | 30.5 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | trans | -61.7 | 149.8 | -179.3 | -83.7 | -59.6 | 0 | 0 | 0 | 113.8 | N518 | N518-N520 PolarHBondContact O-N 2.93Š| ||
| 521 | N | 30.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 155 Ų | 155 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | trans | 53.3 | 113.7 | 145.3 | -60.6 | -29.1 | 0 | 0 | 0 | 119.7 | ||||
| 522 | Y | 29 | Very low | 30.5 | Very low | 203 Ų | 203 | 151 Ų | 151 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | -157.6 | 75.2 | 111.9 | -95.8 | -56.2 | 0 | 0 | 0 | 112.4 | R524 | Y522-R524 HydrophobicContact CD1-CG 4.43Å; Y522-R524 PolarHBondContact O-N 2.8Å | |||
| 523 | R | 28.7 | Very low | 30.5 | Very low | 234 Ų | 234 | 154.9 Ų | 154.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -90.9 | 71.8 | 171.1 | -165.9 | 178.3 | -168.1 | 162 | 4.2 | 110.7 | Q525 | R523-Q525 PolarHBondContact O-N 3.42Š| ||
| 524 | R | 32.5 | Very low | 30.6 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 99.6 | 176.6 | -75.2 | -167.1 | -176.7 | -168.9 | 2.5 | 111.1 | Y522 L526 | Y522-R524 HydrophobicContact CD1-CG 4.43Å; Y522-R524 PolarHBondContact O-N 2.8Å; R524-L526 PolarHBondContact O-N 3.29Å | ||
| 525 | Q | 30.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 114.4 | 153.6 | -68.2 | -179.5 | -6.8 | 0 | 0 | 108 | R523 R527 | R523-Q525 PolarHBondContact O-N 3.42Å; Q525-R527 PolarHBondContact O-N 2.9Å | ||
| 526 | L | 28.4 | Very low | 31 | Very low | 142 Ų | 142 | 152 Ų | 152 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -93 | 92 | 170.1 | -88.7 | 166.4 | 0 | 0 | 0 | 110.1 | R524 I528 | R524-L526 PolarHBondContact O-N 3.29Å; L526-I528 PolarHBondContact O-N 3.13Å | ||
| 527 | R | 28 | Very low | 31.1 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -73.1 | 96 | 164.2 | 179.7 | -174 | -69.4 | 153.2 | -5 | 107.7 | Q525 H529 | Q525-R527 PolarHBondContact O-N 2.9Å; R527-H529 WeakPolarHBondContact CD-NE2 3.35Å; R527-H529 PolarHBondContact O-N 2.94Å | ||
| 528 | I | 31.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -70.7 | 103.6 | 179.1 | -58.8 | 177.6 | 0 | 0 | 0 | 109.1 | L526 | L526-I528 PolarHBondContact O-N 3.13Š| ||
| 529 | H | 30.5 | Very low | 31.3 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -88.2 | 149.6 | 157.3 | -74.5 | -89 | 0 | 0 | 0 | 109.1 | R527 | R527-H529 WeakPolarHBondContact CD-NE2 3.35Å; R527-H529 PolarHBondContact O-N 2.94Å | ||
| 530 | S | 26.7 | Very low | 31.3 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -100.3 | 109.4 | -170 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 531 | T | 34.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -155.8 | 118.5 | 160.3 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 532 | T | 32.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | 27.1 | 123.3 | 141.7 | 54.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 533 | D | 32.1 | Very low | 31.5 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 77 | 155.8 | 132.8 | -53 | -16.3 | 0 | 0 | 0 | 122.9 | ||||
| 534 | S | 36 | Very low | 31.9 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 79.7 | 138 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 535 | D | 33.6 | Very low | 31.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -86.4 | 154.4 | -167.6 | -46.4 | -95.3 | 0 | 0 | 0 | 114 | ||||
| 536 | N | 34.7 | Very low | 32.1 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | -170.9 | 155.7 | 124.1 | -107 | -73.4 | 0 | 0 | 0 | 112.7 | |||||
| 537 | V | 33 | Very low | 32.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -98.4 | 139.5 | -170.6 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | Y539 | V537-Y539 HydrophobicContact CG1-CD2 4.28Š| ||
| 538 | A | 32.4 | Very low | 32.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -146.4 | 111 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 539 | Y | 29.8 | Very low | 32.7 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 144.5 | 174.2 | -106.8 | -98.7 | 0 | 0 | 0 | 111.5 | V537 | V537-Y539 HydrophobicContact CG1-CD2 4.28Š| ||
| 540 | A | 31.7 | Very low | 32.8 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -146.8 | 70.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T542 | A540-T542 PolarHBondContact O-N 3.03Š| ||
| 541 | S | 30.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -70.9 | 121.1 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 542 | T | 34 | Very low | 33 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -102.3 | 111 | 175.8 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | A540 | A540-T542 PolarHBondContact O-N 3.03Š| ||
| 543 | S | 32.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | -134.8 | 105.7 | 170.4 | 58 | 0 | 0 | 0 | 0 | 110 | ||||
| 544 | V | 35.5 | Very low | 33.2 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 101.6 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 545 | L | 33.5 | Very low | 33.1 | Very low | 142 Ų | 142 | 133 Ų | 133 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | cis | 77.6 | 94 | 36.6 | -150.9 | 160 | 0 | 0 | 0 | 111.8 | ||||
| 546 | N | 33.2 | Very low | 33 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 123.7 | 171.3 | -68 | -23.6 | 0 | 0 | 0 | 109.7 | ||||
| 547 | G | 31.9 | Very low | 33 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -171 | 106 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 548 | L | 34.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 126.2 | 172.4 | -173.4 | 76.5 | 0 | 0 | 0 | 109.1 | ||||
| 549 | P | 35.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 127 | 178.6 | 31.1 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 550 | Q | 31.5 | Very low | 33.9 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -119 | 124.7 | 150.4 | -73.8 | -174.1 | -11.7 | 0 | 0 | 107.4 | ||||
| 551 | S | 35.5 | Very low | 34.4 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 143.3 | 168.2 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 552 | M | 29.5 | Very low | 34.8 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -124 | 116.8 | 172 | -70.7 | -148.2 | -59.8 | 0 | 0 | 110.3 | ||||
| 553 | A | 34.3 | Very low | 35 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -176.9 | 142.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 554 | S | 35.5 | Very low | 35 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | cis | -159.5 | 156 | -10 | 43 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 555 | S | 34.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 8.9 | 122.8 | 162.5 | -51.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 556 | C | 31.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | -174.9 | 139.3 | 95.1 | -100.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 557 | Q | 35 | Very low | 34.7 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 58 | 119.6 | 154.2 | -64.4 | 175.9 | -10.9 | 0 | 0 | 120.7 | ||||
| 558 | S | 35.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -93.6 | -172.3 | 166.8 | -24.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 559 | P | 40.1 | Very low | 34.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -129 | 170.8 | -18.1 | 38.3 | -22.9 | 0 | 0 | 0 | 113.2 | ||||
| 560 | D | 38.2 | Very low | 34.2 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | 177 | 163.2 | 108.4 | -105.2 | -24.7 | 0 | 0 | 0 | 116.9 | |||||
| 561 | A | 41.8 | Very low | 34.4 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -43.6 | 168.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 562 | P | 38.9 | Very low | 34.7 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -117.6 | 173.1 | -167.5 | 43.2 | -33.1 | 0 | 0 | 0 | 115.8 | ||||
| 563 | K | 37.2 | Very low | 34.8 | Very low | 209 Ų | 209 | 120.3 Ų | 120.3 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 167.2 | 156.5 | 138.2 | -91.9 | 151.7 | -170 | 171.7 | 0 | 113.3 | ||||
| 564 | G | 32.8 | Very low | 34.9 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 80.8 | 123.4 | 165 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 565 | A | 33.5 | Very low | 34.9 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | 92.7 | 124.4 | 25.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 566 | A | 32.3 | Very low | 35 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 81 | 111.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 567 | V | 29.4 | Very low | 35.2 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 78.9 | 132.2 | 122.3 | 174.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 568 | A | 28.8 | Very low | 35.2 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 66.7 | 152.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 569 | A | 30 | Very low | 35.4 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | cis | -143.3 | -168 | -21.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 570 | V | 33.6 | Very low | 35.1 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | -178 | 153.8 | 65 | 161.4 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 571 | L | 34.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 119.6 Ų | 119.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -102.9 | 154.1 | 171.1 | -63.7 | 168.2 | 0 | 0 | 0 | 110.8 | V573 | L571-V573 HydrophobicContact CB-CG2 4.42Š| ||
| 572 | P | 41.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | -144.5 | 166.2 | 98 | 35 | -17.9 | 0 | 0 | 0 | 113.3 | |||||
| 573 | V | 32 | Very low | 34.9 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | cis | 89 | 101.9 | 14.5 | -175.1 | 0 | 0 | 0 | 0 | 117.1 | L571 | L571-V573 HydrophobicContact CB-CG2 4.42Š| ||
| 574 | T | 37.3 | Very low | 34.9 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -157.5 | 120.2 | 147.5 | 22.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 575 | T | 35.3 | Very low | 35.3 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | 61.1 | 143.3 | 85.3 | -8.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 576 | I | 36.2 | Very low | 35.2 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | cis | -149.1 | 146 | 19 | -34.9 | 163.5 | 0 | 0 | 0 | 108.4 | ||||
| 577 | T | 34.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | 172.4 | 120.3 | 83.5 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 578 | T | 34.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | 53.3 | 127.3 | 99.8 | -28 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 579 | I | 39.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | -148.9 | 127.1 | 56.5 | -41.3 | -178.4 | 0 | 0 | 0 | 109.7 | |||||
| 580 | T | 35.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | 49.2 | 132.6 | 92.2 | -7.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 581 | T | 37.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | -155.8 | 141.6 | 39.8 | 48.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 582 | T | 37 | Very low | 37.3 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 38.2 | 145 | 138.6 | 68.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 583 | H | 39 | Very low | 37.2 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -163.9 | 141.7 | 41.6 | -113.6 | -70.4 | 0 | 0 | 0 | 114 | ||||
| 584 | T | 38.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | trans | 21.4 | 141.7 | 142 | 50.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 585 | H | 39.7 | Very low | 37.8 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | cis | -156.8 | 174 | 9.5 | -96.4 | -44 | 0 | 0 | 0 | 110.1 | ||||
| 586 | S | 33 | Very low | 38.1 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | cis | 84.9 | 150.7 | 25.5 | -33 | 0 | 0 | 0 | 0 | 116 | ||||
| 587 | P | 44.5 | Very low | 38.2 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | cis | -142.9 | -176.9 | -12.3 | 41.9 | -22.3 | 0 | 0 | 0 | 118 | ||||
| 588 | S | 38.4 | Very low | 38.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 75.8 | 154.7 | 139.1 | 75.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 589 | L | 36.8 | Very low | 38.5 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | cis | -167.8 | -179 | -15.6 | -110.6 | 173.7 | 0 | 0 | 0 | 113.1 | ||||
| 590 | Y | 35.6 | Very low | 38.3 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | trans | 90.1 | 145.7 | 164 | -77.7 | -95.2 | 0 | 0 | 0 | 120.7 | ||||
| 591 | S | 37.1 | Very low | 38.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | 179.5 | 164.2 | -50.7 | -99 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 592 | R | 39.2 | Very low | 38.2 | Very low | 241 Ų | 241 | 134.9 Ų | 134.9 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | 81.7 | 132.7 | 179.3 | -65.5 | 178.3 | 155 | 163.8 | -7.1 | 115.7 | ||||
| 593 | S | 38.7 | Very low | 38.1 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | 88.1 | 143.1 | 28.3 | -52.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 594 | D | 42.8 | Very low | 38 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -164.8 | 164.1 | 25.1 | -140.1 | -49.9 | 0 | 0 | 0 | 115.8 | ||||
| 595 | S | 40.7 | Very low | 37.6 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | 46.2 | 160.7 | 150.9 | 2.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 596 | Q | 40.8 | Very low | 37.2 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -172.1 | 153 | -12.2 | -119.5 | 176.2 | 53.7 | 0 | 0 | 114.8 | ||||
| 597 | T | 38 | Very low | 37 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 158.8 | 149.5 | 61.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 598 | R | 37.9 | Very low | 36.4 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | cis | -166.8 | 148.9 | -10.5 | -117.6 | 176.9 | -174.8 | -171.2 | 3.1 | 113.3 | ||||
| 599 | S | 37.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 49.9 | 150.9 | 146.5 | 57.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 600 | L | 35.6 | Very low | 36.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | cis | -165.1 | 152.1 | -3.3 | -114 | 167.5 | 0 | 0 | 0 | 110.7 | ||||
| 601 | S | 35.8 | Very low | 35.8 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 63.4 | -179.4 | 161.4 | -66.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 602 | S | 36.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | -173.7 | 156.8 | -50 | 63.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 603 | G | 34.9 | Very low | 35.2 | Very low | 70 Ų | 70 | 142.4 Ų | 142.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | 177 | 170.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 604 | H | 35 | Very low | 34.9 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | 77.2 | 129.6 | -179.7 | -86.8 | 68.3 | 0 | 0 | 0 | 120.9 | ||||
| 605 | E | 30.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 34.7 | 116.1 | 158.8 | -54.6 | -171.9 | -169.1 | 0 | 0 | 122.9 | ||||
| 606 | R | 31.1 | Very low | 34 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 168.9 | 143.4 | 90.8 | -82.6 | -165.8 | 179.4 | -177.2 | -1.2 | 112.3 | |||||
| 607 | S | 29.1 | Very low | 33.8 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 51.4 | 138.7 | 152.5 | 59.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 608 | S | 32.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 82.8 | 124.6 | 149.4 | -56.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 609 | I | 33.3 | Very low | 33.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | 18.6 | 141.1 | 125.4 | -38.2 | 170.5 | 0 | 0 | 0 | 118.1 | |||||
| 610 | P | 34.6 | Very low | 33.7 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -126.8 | -161.7 | -30.5 | 40.5 | -23.8 | 0 | 0 | 0 | 111.1 | ||||
| 611 | L | 31.1 | Very low | 33.6 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -137.2 | 136.9 | 156.4 | -81.7 | -179.1 | 0 | 0 | 0 | 114 | ||||
| 612 | Y | 30.8 | Very low | 33.8 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -109.3 | 162.2 | 162.9 | -115.3 | -97.9 | 0 | 0 | 0 | 108.1 | ||||
| 613 | Y | 32.4 | Very low | 33.7 | Very low | 224 Ų | 224 | 144.8 Ų | 144.8 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -107 | 148.1 | 172.5 | -111.4 | -95.2 | 0 | 0 | 0 | 113.4 | ||||
| 614 | L | 32.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 173 | -171.6 | -89 | 69.9 | 0 | 0 | 0 | 111.4 | ||||
| 615 | S | 30.6 | Very low | 33.7 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | cis | -171.9 | -168 | -8.6 | -102.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 616 | T | 34 | Very low | 34 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 96 | 140.7 | 159.9 | 72.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 617 | S | 36.3 | Very low | 34.3 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | -167.3 | 142.8 | -17.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 618 | G | 37.3 | Very low | 34.7 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 80.3 | 165.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 619 | K | 35.7 | Very low | 34.8 | Very low | 205 Ų | 205 | 136.4 Ų | 136.4 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | cis | -165.8 | 162.3 | -15.6 | -126.2 | 177.9 | -175.5 | 179 | 0 | 109.7 | ||||
| 620 | S | 38.2 | Very low | 35.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 82.7 | 169.8 | 167.3 | 91.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 621 | K | 33.3 | Very low | 35.2 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -174.5 | 176.4 | -156.2 | -102.3 | -171.1 | 178.3 | -176 | 0 | 107.7 | ||||
| 622 | P | 40.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -139.6 | -172.4 | -35.4 | 42.4 | -24.7 | 0 | 0 | 0 | 114 | ||||
| 623 | L | 33.3 | Very low | 35.2 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 52.3 | 116.7 | 141.7 | -155.6 | 80.4 | 0 | 0 | 0 | 122.2 | ||||
| 624 | E | 35.6 | Very low | 35.3 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 176 | 156.7 | 107.4 | -105.2 | -158.9 | -170.3 | 0 | 0 | 114.6 | |||||
| 625 | N | 35.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 54.5 | 139.7 | 161.2 | -55.7 | -40 | 0 | 0 | 0 | 120.4 | ||||
| 626 | G | 36.1 | Very low | 35.5 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | cis | 166.5 | 156.2 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 627 | G | 36.9 | Very low | 35.5 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 120.8 | 108.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 628 | S | 37.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 52.7 | 149.7 | 147.6 | -82.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 629 | S | 36.7 | Very low | 34.9 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | cis | -173.8 | 139.2 | -17.7 | -103.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 630 | K | 38.1 | Very low | 34.7 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 56 | 151.5 | 138.8 | -59.5 | 168.5 | -177.1 | -179.5 | 0 | 119.9 | ||||
| 631 | Q | 37.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | cis | -158.4 | 153.7 | -14 | -101.6 | 165.4 | -115.7 | 0 | 0 | 105.8 | ||||
| 632 | L | 29.4 | Very low | 34.4 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | cis | 109.6 | 83.2 | 18.3 | -160.3 | -179.9 | 0 | 0 | 0 | 113.3 | ||||
| 633 | L | 33.3 | Very low | 33.9 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -167.4 | 136.5 | 156.8 | -125.5 | 56.9 | 0 | 0 | 0 | 107.5 | ||||
| 634 | K | 33.6 | Very low | 33.8 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | cis | 69.3 | 139.2 | 42.1 | -69.1 | -179.1 | 152.6 | -134.6 | 0 | 113.3 | ||||
| 635 | Q | 33.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | cis | -161.2 | 178.5 | -1.3 | -115.2 | 172.1 | -98.2 | 0 | 0 | 108.5 | ||||
| 636 | D | 34.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | cis | -139.7 | -79.9 | 5.8 | -157.3 | -119.4 | 0 | 0 | 0 | 114.4 | ||||
| 637 | K | 32.7 | Very low | 33.3 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 74% | 0.735 | 74% | 0.736 | S | S | * | * | trans | -158.5 | 170.5 | -161.6 | -66.3 | 168.2 | -162 | 146.6 | 0 | 114.7 | ||||
| 638 | L | 32.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 147.2 | 127.8 | 137.5 | -76.5 | 166.3 | 0 | 0 | 0 | 110.3 | ||||
| 639 | F | 28.7 | Very low | 32.8 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | 58.6 | 128.4 | 85.2 | -91 | -90.9 | 0 | 0 | 0 | 112.2 | |||||
| 640 | T | 32.8 | Very low | 32.5 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | cis | -165.7 | 166.4 | 41.6 | -73 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 641 | A | 29.9 | Very low | 32 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -123.9 | 146.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 642 | P | 35.1 | Very low | 31.8 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | -161.8 | -174.3 | 91.9 | 43.4 | -22.5 | 0 | 0 | 0 | 117.9 | |||||
| 643 | L | 30.1 | Very low | 31.9 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 59 | 117.4 | 143.4 | -104.9 | 66.4 | 0 | 0 | 0 | 124.7 | ||||
| 644 | A | 31.9 | Very low | 32.1 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | 57 | 125.7 | 120.1 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 645 | E | 29.8 | Very low | 32.1 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | 67.2 | 154.9 | 142.8 | -66.4 | 172.1 | -158.5 | 0 | 0 | 118.8 | ||||
| 646 | S | 32.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | -145 | 160 | 10.9 | 59.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 647 | E | 33.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 67.3 | 130.6 | 141.1 | -82.5 | -176.7 | -179.4 | 0 | 0 | 127 | ||||
| 648 | T | 34 | Very low | 32.2 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | 72 | 152.8 | 148 | 64.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 649 | G | 30.1 | Very low | 32.3 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 144.6 | 34.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 650 | S | 30.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 53.5 | 113.1 | 155.1 | -169.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 651 | I | 26.7 | Very low | 32.4 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | 26.6 | 121 | 127.2 | -52.4 | 164.6 | 0 | 0 | 0 | 119.6 | |||||
| 652 | V | 33.2 | Very low | 32.4 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | -153.3 | 139.6 | 122.3 | 170 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 653 | T | 32.1 | Very low | 32 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -122.9 | 140.9 | 167.1 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 654 | P | 37.9 | Very low | 31.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -86.5 | 147.7 | 156.4 | -11.5 | 29.7 | 0 | 0 | 0 | 112.1 | ||||
| 655 | I | 32.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -114.6 | 156.8 | 170.6 | -70.4 | 166.7 | 0 | 0 | 0 | 107.3 | ||||
| 656 | E | 36 | Very low | 31.7 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 164.6 | 117.6 | 142.4 | -88.3 | 169.4 | -168.3 | 0 | 0 | 107.5 | ||||
| 657 | S | 32.3 | Very low | 31.3 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 50% | 0.497 | 78% | 0.778 | S | S | . | * | 77.8 | 144.1 | 57.7 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 658 | F | 34.2 | Very low | 31 | Very low | 189 Ų | 189 | 130.3 Ų | 130.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | cis | -113.7 | -153.3 | 8.1 | -70.5 | -87.8 | 0 | 0 | 0 | 109.9 | ||||
| 659 | T | 35.9 | Very low | 30.9 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | cis | -156 | 166.1 | 10.1 | -33.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 660 | Q | 31.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -118.4 | 154.8 | 175.1 | -65.3 | 164.8 | -47.3 | 0 | 0 | 111.6 | ||||
| 661 | S | 32.9 | Very low | 31 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 178.8 | 162.3 | 130.3 | -86.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 662 | T | 29 | Very low | 31.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -162.4 | 167.7 | -32.5 | -82.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 663 | L | 26.3 | Very low | 31.1 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -68.1 | 174.3 | 172 | -52.2 | 161.7 | 0 | 0 | 0 | 110.6 | ||||
| 664 | T | 28.4 | Very low | 31 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | -163.2 | 151.7 | 30.6 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 665 | S | 27.7 | Very low | 30.6 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 45.3 | 156.2 | 140.4 | 66.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 666 | S | 29.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 70.2 | 130.6 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 667 | L | 25.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | cis | 87.5 | 127.6 | 29.3 | -161.4 | 79.7 | 0 | 0 | 0 | 113.7 | ||||
| 668 | S | 27.1 | Very low | 30.2 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | 95.7 | 119.9 | 171.5 | -49.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 669 | Q | 30.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 127.1 | 141 | -67.2 | 170.2 | -21.4 | 0 | 0 | 122.2 | ||||
| 670 | L | 27.6 | Very low | 30 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -71.6 | 172.7 | 156.1 | -75 | 99.2 | 0 | 0 | 0 | 110.4 | ||||
| 671 | P | 35 | Very low | 30.1 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -134 | -153.4 | 15.8 | 38.5 | -14.3 | 0 | 0 | 0 | 112.5 | ||||
| 672 | E | 32.1 | Very low | 30 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | -158.2 | 164 | 3.4 | -156.7 | 32.5 | -80.5 | 0 | 0 | 112.7 | ||||
| 673 | S | 29.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | trans | 27.4 | 127.6 | 152.8 | 70.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 674 | L | 31.5 | Very low | 30.4 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | -163.5 | 150.4 | 96.4 | -103.7 | 165 | 0 | 0 | 0 | 113.4 | |||||
| 675 | N | 28.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -62.5 | 162.1 | -177.1 | -69 | -52.4 | 0 | 0 | 0 | 112.9 | ||||
| 676 | V | 33.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | -162.3 | 149.3 | 54 | 162.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 677 | Q | 29 | Very low | 30.5 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | cis | -170.9 | 173.1 | -19.3 | 179 | 164.4 | -19 | 0 | 0 | 108.3 | ||||
| 678 | M | 30.9 | Very low | 30.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 64% | 0.64 | 73% | 0.733 | S | S | * | * | trans | -135.8 | 175.8 | 174.1 | -89.5 | -86.6 | -72.6 | 0 | 0 | 110.6 | T680 | M678-T680 HydrophobicContact CB-CG2 4.47Å; M678-T680 HydrophobicContact CE-CG2 3.53Å | ||
| 679 | P | 34.9 | Very low | 30.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | -117.6 | 124.5 | 123.5 | -6.8 | 26.1 | 0 | 0 | 0 | 112.8 | |||||
| 680 | T | 31.8 | Very low | 30.5 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 55% | 0.546 | 73% | 0.733 | S | S | . | * | trans | -94.2 | 171.6 | 164.9 | 55.5 | 0 | 0 | 0 | 0 | 110 | M678 K682 | M678-T680 HydrophobicContact CB-CG2 4.47Å; M678-T680 HydrophobicContact CE-CG2 3.53Å; T680-K682 HydrophobicContact CG2-CD 4.48Å | ||
| 681 | L | 32.6 | Very low | 30.6 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | -137.5 | 144.8 | 135.9 | -112.5 | 178.7 | 0 | 0 | 0 | 111.6 | ||||
| 682 | K | 30.5 | Very low | 30.3 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | trans | -151.7 | 167.9 | -168.6 | -45.3 | -175.6 | 72.7 | -164.9 | 0 | 109 | T680 | T680-K682 HydrophobicContact CG2-CD 4.48Š| ||
| 683 | Q | 31.8 | Very low | 30.4 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 64% | 0.64 | 73% | 0.733 | S | S | * | * | cis | -128.6 | -95.7 | 1.6 | -160.5 | 167 | -107.2 | 0 | 0 | 110.4 | ||||
| 684 | N | 32.3 | Very low | 30.5 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | cis | -146.8 | 162.2 | -23.4 | -151.3 | 11.9 | 0 | 0 | 0 | 111.1 | ||||
| 685 | L | 27.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -110.3 | 156.8 | 168.9 | -74.1 | 71.5 | 0 | 0 | 0 | 108.8 | ||||
| 686 | L | 32 | Very low | 30.9 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | -168.7 | 166.3 | 129.3 | -104.6 | 155.4 | 0 | 0 | 0 | 111.9 | |||||
| 687 | T | 27.3 | Very low | 31 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | trans | -101.1 | 145.4 | -167.3 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 688 | N | 29.5 | Very low | 31.2 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | 168.3 | 155.7 | 111.9 | -91.1 | -61.6 | 0 | 0 | 0 | 114.9 | |||||
| 689 | R | 27.3 | Very low | 31.5 | Very low | 220 Ų | 220 | 135.7 Ų | 135.7 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | 13.2 | 135.2 | 157.9 | -70.3 | -178.9 | 166.4 | -167.1 | -4.8 | 121.6 | ||||
| 690 | S | 26.8 | Very low | 31.3 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | 38.5 | 141.1 | 126.9 | -38.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 691 | T | 29.9 | Very low | 31.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | cis | -167.7 | 143.5 | 42.2 | -39.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 692 | I | 28.2 | Very low | 31.3 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | trans | 19.2 | 154.2 | 148.2 | -47.4 | 168 | 0 | 0 | 0 | 120.8 | ||||
| 693 | I | 34.9 | Very low | 31.4 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | trans | 101 | 103.3 | 171.2 | -55 | 172.7 | 0 | 0 | 0 | 110.6 | ||||
| 694 | N | 30.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | 92.2 | 130.6 | 47.6 | -82 | 28.2 | 0 | 0 | 0 | 113.6 | ||||
| 695 | N | 32.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 148.3 | 155.9 | -65.6 | 45.7 | 0 | 0 | 0 | 116.5 | ||||
| 696 | D | 35.9 | Very low | 32.2 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | cis | -157.6 | 175.8 | -4.9 | -111.7 | -19.8 | 0 | 0 | 0 | 113 | ||||
| 697 | D | 36.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | 67 | 101 | 149.6 | -79.2 | -39.7 | 0 | 0 | 0 | 124.2 | ||||
| 698 | N | 32.6 | Very low | 32.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | 61.8 | 151.7 | 103.7 | -82.1 | -54.8 | 0 | 0 | 0 | 124.9 | |||||
| 699 | S | 36.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 84.5 | 153.1 | 152.3 | 82.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 700 | R | 32.2 | Very low | 33.6 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -168.5 | 151.6 | -42.4 | -144.7 | -178.4 | -179.6 | 165.3 | -1 | 110.7 | ||||
| 701 | C | 27.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | 65.1 | 166.7 | 165.6 | -55.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 702 | S | 35.2 | Very low | 33.8 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | cis | -145.9 | 158.7 | 11.3 | -42.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 703 | T | 33.9 | Very low | 34 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -30.4 | 164.9 | 159.7 | 45.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 704 | I | 37.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | -164.8 | 137.2 | 69.8 | -80.8 | 177.9 | 0 | 0 | 0 | 114.5 | |||||
| 705 | N | 33.9 | Very low | 34 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 35.8 | 150 | 148.1 | -52.9 | 3.4 | 0 | 0 | 0 | 125.6 | ||||
| 706 | G | 36.8 | Very low | 33.9 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | 165.1 | 65.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 707 | D | 36.7 | Very low | 33.7 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 24.4 | 143.1 | 142.7 | -58.1 | -4.2 | 0 | 0 | 0 | 121.5 | ||||
| 708 | S | 35.2 | Very low | 33.5 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | cis | -163 | -170.6 | 8.7 | -166.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 709 | Y | 38.1 | Very low | 33.5 | Very low | 213 Ų | 213 | 137 Ų | 137 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | 90 | 72.7 | 168.5 | -57.3 | -72 | 0 | 0 | 0 | 119.9 | ||||
| 710 | H | 34.8 | Very low | 33.2 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | -3.8 | 155.3 | 123.2 | -71.5 | -59.8 | 0 | 0 | 0 | 118.7 | |||||
| 711 | N | 33.7 | Very low | 33.2 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | cis | -160.7 | 135.3 | 3.2 | -108.9 | -20.8 | 0 | 0 | 0 | 107.9 | ||||
| 712 | N | 28.4 | Very low | 33.3 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 79.2 | 153.2 | 82.9 | -92.4 | -43.2 | 0 | 0 | 0 | 117.3 | |||||
| 713 | L | 32.7 | Very low | 33 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 74 | 144.3 | 174.7 | -61.4 | 117.6 | 0 | 0 | 0 | 118.3 | ||||
| 714 | D | 32.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -163.7 | 148.3 | -35.1 | -132 | -41.1 | 0 | 0 | 0 | 113.7 | ||||
| 715 | S | 30.6 | Very low | 32.3 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | 55.4 | 146.5 | 154.1 | 80.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 716 | N | 31.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 61.3 | 99.3 | 148 | -57.4 | -26.1 | 0 | 0 | 0 | 121.4 | ||||
| 717 | H | 32.5 | Very low | 31.8 | Very low | 177 Ų | 177 | 149 Ų | 149 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | -175.6 | 156.8 | 92.1 | -109.2 | -78.6 | 0 | 0 | 0 | 114.6 | |||||
| 718 | S | 31 | Very low | 31.5 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 58.6 | 110.6 | 155.5 | -58 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 719 | N | 33.5 | Very low | 31.2 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | -157.6 | 133.6 | 130.7 | -100.4 | -49.2 | 0 | 0 | 0 | 110.5 | ||||
| 720 | D | 29.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -78.7 | 171.8 | 176.7 | -73.7 | -70.7 | 0 | 0 | 0 | 112.9 | ||||
| 721 | T | 31.2 | Very low | 30.6 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 73.8 | 86.7 | 159 | -44.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 722 | L | 29.5 | Very low | 30.4 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -158.1 | 67.3 | 154.1 | -118.8 | 170.6 | 0 | 0 | 0 | 114.5 | ||||
| 723 | I | 30 | Very low | 30.4 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -102.7 | 85.2 | 169 | -56.3 | -179.9 | 0 | 0 | 0 | 109.9 | ||||
| 724 | Y | 29.4 | Very low | 30.2 | Very low | 226 Ų | 226 | 154 Ų | 154 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -170.1 | 77.9 | 157.2 | -118.1 | -73.6 | 0 | 0 | 0 | 110.8 | ||||
| 725 | S | 27.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 156.4 Ų | 156.4 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -148.6 | 18.6 | -177.9 | -68.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 726 | Q | 30.2 | Very low | 30 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -129.7 | 63.5 | 175.2 | -75.7 | -172.7 | -22.9 | 0 | 0 | 112.8 | ||
| 727 | M | 30.2 | Very low | 30.1 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -159.5 | 24.8 | 162.9 | -139.8 | 162.7 | -79.8 | 0 | 0 | 114.4 | ||
| 728 | N | 29.6 | Very low | 30.2 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | -123.4 | 55.5 | -171 | -144.3 | 26 | 0 | 0 | 0 | 112.6 | ||||
| 729 | S | 28.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -144.1 | 149.4 | 166.4 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 730 | S | 29 | Very low | 30.7 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 65 | 72.4 | -173.1 | -57.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 731 | Y | 31.5 | Very low | 31.3 | Very low | 239 Ų | 239 | 152 Ų | 152 | 94% | 0.937 | 77% | 0.77 | S | S | * | * | S | Bend | -147.6 | 145 | 123.8 | -112.4 | -76.9 | 0 | 0 | 0 | 110 | |||
| 732 | N | 30.3 | Very low | 32 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -80.9 | 148.5 | -153.3 | -71.9 | -35.1 | 0 | 0 | 0 | 116.1 | F734 | N732-F734 PolarHBondContact O-N 3.4Š| ||
| 733 | H | 28.2 | Very low | 32.6 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -61 | 116 | 165.3 | -154.6 | -60.7 | 0 | 0 | 0 | 109.7 | ||||
| 734 | F | 27.6 | Very low | 33.2 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -147.2 | 148.7 | 172.8 | -110.9 | -83.5 | 0 | 0 | 0 | 111.7 | N732 L736 | N732-F734 PolarHBondContact O-N 3.4Å; F734-L736 PolarHBondContact O-N 2.94Å | ||
| 735 | E | 27.5 | Very low | 34 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -83.1 | 79.8 | -161.3 | -62.5 | -176.9 | 107.6 | 0 | 0 | 114.9 | K737 | E735-K737 PolarHBondContact O-N 2.9Å; E735-K737 VanDerWaalsContact O-N 3.11Å | ||
| 736 | L | 31.1 | Very low | 35 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 63% | 0.634 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 78.8 | 172.6 | -78.7 | 150.1 | 0 | 0 | 0 | 112 | F734 | F734-L736 PolarHBondContact O-N 2.94Š|
| 737 | K | 34.7 | Very low | 35.8 | Very low | 184 Ų | 184 | 135 Ų | 135 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | -18.8 | 163.7 | -82.3 | -168 | 174.8 | -179.5 | 0 | 115.9 | E735 | E735-K737 PolarHBondContact O-N 2.9Å; E735-K737 VanDerWaalsContact O-N 3.11Å |
| 738 | N | 35 | Very low | 37 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -101.4 | -30.5 | 178.4 | -68.7 | -24.1 | 0 | 0 | 0 | 113.2 | D740 Q741 V742 | N738-D740 PolarHBondContact O-N 2.8Å; N738-Q741 PolarHBondContact O-N 3.28Å; N738-V742 WeakPolarHBondContact O-CG2 3.42Å; N738-V742 PolarHBondContact O-N 3.08Å |
| 739 | S | 35.6 | Very low | 37.9 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 40% | 0.399 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | -172.7 | -48.8 | 0 | 0 | 0 | 0 | 113.7 | Q741 V742 L743 | S739-Q741 VanDerWaalsContact C-N 3.32Å; S739-Q741 PolarHBondContact O-N 3.43Å; S739-V742 PolarHBondContact O-N 3.3Å; S739-L743 WeakPolarHBondContact O-CB 3.22Å; S739-L743 PolarHBondContact O-N 2.88Å |
| 740 | D | 38.2 | Very low | 38.8 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -35.2 | -179 | -62.7 | -23.9 | 0 | 0 | 0 | 111.9 | N738 V742 Y744 | N738-D740 PolarHBondContact O-N 2.8Å; D740-V742 VanDerWaalsContact C-N 3.35Å; D740-Y744 VanDerWaalsContact O-CB 3.23Å; D740-Y744 WeakPolarHBondContact O-CB 3.46Å; D740-Y744 PolarHBondContact O-N 2.85Å |
| 741 | Q | 42.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.8 | -38.3 | 175.5 | -148 | 82.4 | 42.5 | 0 | 0 | 111.2 | N738 S739 N745 | N738-Q741 PolarHBondContact O-N 3.28Å; S739-Q741 VanDerWaalsContact C-N 3.32Å; S739-Q741 PolarHBondContact O-N 3.43Å; Q741-N745 WeakPolarHBondContact O-CB 3.21Å; Q741-N745 VanDerWaalsContact O-CG 3.3Å; Q741-N745 PolarHBondContact O-N 3.15Å; Q741-N745 VanDerWaalsContact O-N 3.08Å; Q741-N745 PolarHBondContact O-ND2 3.29Å; Q741-N745 VanDerWaalsContact O-ND2 3.15Å |
| 742 | V | 45.1 | Very low | 40.7 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.8 | -45.3 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111 | N738 S739 D740 Y744 N745 H746 | N738-V742 WeakPolarHBondContact O-CG2 3.42Å; N738-V742 PolarHBondContact O-N 3.08Å; S739-V742 PolarHBondContact O-N 3.3Å; D740-V742 VanDerWaalsContact C-N 3.35Å; V742-Y744 PolarHBondContact O-N 3.21Å; V742-N745 PolarHBondContact O-N 2.81Å; V742-H746 VanDerWaalsContact O-CB 3.29Å; V742-H746 WeakPolarHBondContact O-CB 3.45Å; V742-H746 PolarHBondContact O-N 3.41Å |
| 743 | L | 42.6 | Very low | 41.5 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.4 | -44.8 | 174.3 | -88.2 | 160 | 0 | 0 | 0 | 111.9 | S739 H746 N747 | S739-L743 WeakPolarHBondContact O-CB 3.22Å; S739-L743 PolarHBondContact O-N 2.88Å; L743-H746 PolarHBondContact O-N 3.49Å; L743-N747 WeakPolarHBondContact O-CB 3.31Å; L743-N747 VanDerWaalsContact O-CG 3.23Å; L743-N747 PolarHBondContact O-N 3.35Å; L743-N747 PolarHBondContact O-ND2 2.82Å |
| 744 | Y | 42.9 | Very low | 42.5 | Very low | 145 Ų | 145 | 116.1 Ų | 116.1 | 57% | 0.569 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.6 | -45.9 | 175.9 | -179.7 | -106.5 | 0 | 0 | 0 | 112.1 | D740 V742 K748 | D740-Y744 VanDerWaalsContact O-CB 3.23Å; D740-Y744 WeakPolarHBondContact O-CB 3.46Å; D740-Y744 PolarHBondContact O-N 2.85Å; V742-Y744 PolarHBondContact O-N 3.21Å; Y744-K748 WeakPolarHBondContact O-CB 3.38Å; Y744-K748 PolarHBondContact O-N 3.19Å |
| 745 | N | 45.3 | Very low | 43.6 | Very low | 79 Ų | 79 | 113.3 Ų | 113.3 | 42% | 0.422 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | 177.2 | -74.6 | -30.1 | 0 | 0 | 0 | 112.7 | Q741 V742 N749 | Q741-N745 WeakPolarHBondContact O-CB 3.21Å; Q741-N745 VanDerWaalsContact O-CG 3.3Å; Q741-N745 PolarHBondContact O-N 3.15Å; Q741-N745 VanDerWaalsContact O-N 3.08Å; Q741-N745 PolarHBondContact O-ND2 3.29Å; Q741-N745 VanDerWaalsContact O-ND2 3.15Å; V742-N745 PolarHBondContact O-N 2.81Å; N745-N749 WeakPolarHBondContact O-CB 3.29Å; N745-N749 VanDerWaalsContact O-CG 3.32Å; N745-N749 PolarHBondContact O-N 2.96Å; N745-N749 PolarHBondContact O-ND2 3.1Å |
| 746 | H | 48.9 | Very low | 44.6 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -50.1 | 175.7 | -170.6 | 82 | 0 | 0 | 0 | 111 | V742 L743 K748 N749 L750 | V742-H746 VanDerWaalsContact O-CB 3.29Å; V742-H746 WeakPolarHBondContact O-CB 3.45Å; V742-H746 PolarHBondContact O-N 3.41Å; L743-H746 PolarHBondContact O-N 3.49Å; H746-K748 VanDerWaalsContact C-N 3.32Å; H746-K748 PolarHBondContact O-N 3.11Å; H746-N749 PolarHBondContact O-N 3.03Å; H746-N749 VanDerWaalsContact O-N 3.14Å; H746-L750 PolarHBondContact O-N 2.76Å |
| 747 | N | 47.2 | Very low | 45.3 | Very low | 91 Ų | 91 | 109.8 Ų | 109.8 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.8 | -69.3 | -15.5 | 0 | 0 | 0 | 112.1 | L743 L750 L751 | L743-N747 WeakPolarHBondContact O-CB 3.31Å; L743-N747 VanDerWaalsContact O-CG 3.23Å; L743-N747 PolarHBondContact O-N 3.35Å; L743-N747 PolarHBondContact O-ND2 2.82Å; N747-L750 PolarHBondContact O-N 3.05Å; N747-L751 WeakPolarHBondContact O-CB 3.23Å; N747-L751 PolarHBondContact O-N 3.47Å |
| 748 | K | 55.2 | Low | 46.2 | Very low | 105 Ų | 105 | 103.1 Ų | 103.1 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 174.6 | -173.7 | 175.4 | -178 | 178.8 | 0 | 112.9 | Y744 H746 K752 | Y744-K748 WeakPolarHBondContact O-CB 3.38Å; Y744-K748 PolarHBondContact O-N 3.19Å; H746-K748 VanDerWaalsContact C-N 3.32Å; H746-K748 PolarHBondContact O-N 3.11Å; K748-K752 PolarHBondContact O-N 3.28Å |
| 749 | N | 49 | Very low | 47.1 | Very low | 106 Ų | 106 | 102.8 Ų | 102.8 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.1 | -36 | 176.1 | -73.2 | -19.5 | 0 | 0 | 0 | 112.3 | N745 H746 K753 | N745-N749 WeakPolarHBondContact O-CB 3.29Å; N745-N749 VanDerWaalsContact O-CG 3.32Å; N745-N749 PolarHBondContact O-N 2.96Å; N745-N749 PolarHBondContact O-ND2 3.1Å; H746-N749 PolarHBondContact O-N 3.03Å; H746-N749 VanDerWaalsContact O-N 3.14Å; N749-K753 PolarHBondContact O-N 3.38Å; N749-K753 VanDerWaalsContact O-N 3.08Å |
| 750 | L | 48 | Very low | 47.8 | Very low | 71 Ų | 71 | 105.7 Ų | 105.7 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 168.6 | -77.3 | 170.4 | 0 | 0 | 0 | 111 | H746 N747 K752 K753 H754 | H746-L750 PolarHBondContact O-N 2.76Å; N747-L750 PolarHBondContact O-N 3.05Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 3.27Å; L750-K753 WeakPolarHBondContact O-CA 3.42Å; L750-K753 WeakPolarHBondContact O-CB 3.5Å; L750-K753 PolarHBondContact O-N 3.11Å; L750-H754 PolarHBondContact O-CD2 2.98Å; L750-H754 VanDerWaalsContact O-CD2 3.3Å; L750-H754 PolarHBondContact O-N 3.03Å |
| 751 | L | 45.9 | Very low | 48.1 | Very low | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58 | -45.6 | 179.8 | -172.6 | 63.4 | 0 | 0 | 0 | 111.7 | N747 K753 H754 E755 | N747-L751 WeakPolarHBondContact O-CB 3.23Å; N747-L751 PolarHBondContact O-N 3.47Å; L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 2.84Å; L751-H754 PolarHBondContact O-N 3.47Å; L751-E755 WeakPolarHBondContact O-CG 3.47Å; L751-E755 PolarHBondContact O-N 3.46Å |
| 752 | K | 53 | Low | 48.7 | Very low | 118 Ų | 118 | 102.7 Ų | 102.7 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -39.1 | 172.7 | -80 | -172 | 169 | -165.3 | 0 | 113.5 | K748 L750 E755 Q756 | K748-K752 PolarHBondContact O-N 3.28Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 3.27Å; K752-E755 PolarHBondContact O-N 3.33Å; K752-Q756 WeakPolarHBondContact O-CB 3.39Å; K752-Q756 WeakPolarHBondContact O-CG 3.4Å; K752-Q756 PolarHBondContact O-N 3.38Å |
| 753 | K | 47.9 | Very low | 49 | Very low | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 176.9 | -168.4 | -178.9 | -179.6 | -177.7 | 0 | 111.2 | N749 L750 L751 Q756 Q757 | N749-K753 PolarHBondContact O-N 3.38Å; N749-K753 VanDerWaalsContact O-N 3.08Å; L750-K753 WeakPolarHBondContact O-CA 3.42Å; L750-K753 WeakPolarHBondContact O-CB 3.5Å; L750-K753 PolarHBondContact O-N 3.11Å; L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 2.84Å; K753-Q756 PolarHBondContact O-N 2.82Å; K753-Q757 WeakPolarHBondContact O-CG 3.5Å; K753-Q757 PolarHBondContact O-N 3.47Å |
| 754 | H | 48.1 | Very low | 49.3 | Very low | 103 Ų | 103 | 101.9 Ų | 101.9 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 175 | -80.7 | -110.7 | 0 | 0 | 0 | 112.5 | L750 L751 Q757 G758 | L750-H754 PolarHBondContact O-CD2 2.98Å; L750-H754 VanDerWaalsContact O-CD2 3.3Å; L750-H754 PolarHBondContact O-N 3.03Å; L751-H754 PolarHBondContact O-N 3.47Å; H754-Q757 PolarHBondContact O-N 2.93Å; H754-G758 PolarHBondContact O-N 3.31Å |
| 755 | E | 51.7 | Low | 49.8 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 171.3 | -74 | -178 | 129.9 | 0 | 0 | 111.5 | L751 K752 Q757 G758 L759 | L751-E755 WeakPolarHBondContact O-CG 3.47Å; L751-E755 PolarHBondContact O-N 3.46Å; K752-E755 PolarHBondContact O-N 3.33Å; E755-Q757 PolarHBondContact O-N 2.94Å; E755-G758 PolarHBondContact O-N 3.45Å; E755-L759 WeakPolarHBondContact O-CG 3.27Å; E755-L759 PolarHBondContact O-N 3.13Å |
| 756 | Q | 48.9 | Very low | 50.3 | Low | 140 Ų | 140 | 101.4 Ų | 101.4 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 176.3 | -75.4 | 179.9 | -17.4 | 0 | 0 | 112.3 | K752 K753 L759 W760 | K752-Q756 WeakPolarHBondContact O-CB 3.39Å; K752-Q756 WeakPolarHBondContact O-CG 3.4Å; K752-Q756 PolarHBondContact O-N 3.38Å; K753-Q756 PolarHBondContact O-N 2.82Å; Q756-L759 PolarHBondContact O-N 3.44Å; Q756-W760 WeakPolarHBondContact O-CB 3.3Å; Q756-W760 PolarHBondContact O-N 2.99Å |
| 757 | Q | 45.5 | Very low | 50.4 | Low | 87 Ų | 87 | 99.4 Ų | 99.4 | 41% | 0.407 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 172.5 | -75.4 | 178.3 | -22.4 | 0 | 0 | 112.2 | K753 H754 E755 W760 Y761 | K753-Q757 WeakPolarHBondContact O-CG 3.5Å; K753-Q757 PolarHBondContact O-N 3.47Å; H754-Q757 PolarHBondContact O-N 2.93Å; E755-Q757 PolarHBondContact O-N 2.94Å; Q757-W760 WeakPolarHBondContact O-CB 3.29Å; Q757-W760 PolarHBondContact O-N 3.38Å; Q757-Y761 WeakPolarHBondContact O-CD2 3.35Å; Q757-Y761 PolarHBondContact O-N 3.42Å |
| 758 | G | 53.3 | Low | 50.5 | Low | 43 Ų | 43 | 99.2 Ų | 99.2 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H754 E755 S762 | H754-G758 PolarHBondContact O-N 3.31Å; E755-G758 PolarHBondContact O-N 3.45Å; G758-S762 WeakPolarHBondContact O-CB 3.38Å; G758-S762 PolarHBondContact O-N 3.05Å |
| 759 | L | 54.8 | Low | 50.1 | Low | 124 Ų | 124 | 99.6 Ų | 99.6 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 173.2 | -69.8 | 170.5 | 0 | 0 | 0 | 111.8 | E755 Q756 S762 Q763 | E755-L759 WeakPolarHBondContact O-CG 3.27Å; E755-L759 PolarHBondContact O-N 3.13Å; Q756-L759 PolarHBondContact O-N 3.44Å; L759-S762 PolarHBondContact O-N 2.98Å; L759-Q763 WeakPolarHBondContact O-CB 3.23Å; L759-Q763 PolarHBondContact O-N 2.94Å |
| 760 | W | 48.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 101 Ų | 101 | 45% | 0.451 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 176.4 | -179.3 | 86.6 | 0 | 0 | 0 | 112.3 | Q756 Q757 S762 Q763 L764 | Q756-W760 WeakPolarHBondContact O-CB 3.3Å; Q756-W760 PolarHBondContact O-N 2.99Å; Q757-W760 WeakPolarHBondContact O-CB 3.29Å; Q757-W760 PolarHBondContact O-N 3.38Å; W760-S762 VanDerWaalsContact C-N 3.34Å; W760-S762 PolarHBondContact O-N 3.42Å; W760-Q763 PolarHBondContact O-N 2.97Å; W760-L764 HydrophobicContact CD2-CD1 4.11Å; W760-L764 HydrophobicContact CE3-CD1 3.99Å; W760-L764 HydrophobicContact CH2-CD1 3.42Å; W760-L764 VanDerWaalsContact CH2-CD1 3.42Å; W760-L764 HydrophobicContact CZ2-CD1 3.53Å; W760-L764 HydrophobicContact CZ3-CD1 3.66Å; W760-L764 PolarHBondContact O-N 2.97Å |
| 761 | Y | 46.1 | Very low | 49.6 | Very low | 118 Ų | 118 | 100.9 Ų | 100.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.9 | -84.5 | -68.7 | 0 | 0 | 0 | 112.2 | Q757 Q763 L764 Q765 | Q757-Y761 WeakPolarHBondContact O-CD2 3.35Å; Q757-Y761 PolarHBondContact O-N 3.42Å; Y761-Q763 VanDerWaalsContact C-N 3.32Å; Y761-Q763 PolarHBondContact O-N 3.22Å; Y761-L764 PolarHBondContact O-N 2.99Å; Y761-Q765 WeakPolarHBondContact O-CB 3.39Å; Y761-Q765 PolarHBondContact O-N 3.47Å |
| 762 | S | 54 | Low | 49.4 | Very low | 49 Ų | 49 | 101.4 Ų | 101.4 | 34% | 0.343 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | G758 L759 W760 K766 | G758-S762 WeakPolarHBondContact O-CB 3.38Å; G758-S762 PolarHBondContact O-N 3.05Å; L759-S762 PolarHBondContact O-N 2.98Å; W760-S762 VanDerWaalsContact C-N 3.34Å; W760-S762 PolarHBondContact O-N 3.42Å; S762-K766 WeakPolarHBondContact O-CG 3.35Å; S762-K766 PolarHBondContact O-N 3.27Å; S762-K766 VanDerWaalsContact O-N 3.15Å |
| 763 | Q | 52.1 | Low | 49 | Very low | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.6 | -41 | 177.2 | -159.2 | 68.9 | 3 | 0 | 0 | 111.8 | L759 W760 Y761 Q765 K766 C767 | L759-Q763 WeakPolarHBondContact O-CB 3.23Å; L759-Q763 PolarHBondContact O-N 2.94Å; W760-Q763 PolarHBondContact O-N 2.97Å; Y761-Q763 VanDerWaalsContact C-N 3.32Å; Y761-Q763 PolarHBondContact O-N 3.22Å; Q763-Q765 VanDerWaalsContact C-N 3.34Å; Q763-Q765 PolarHBondContact O-N 3.09Å; Q763-K766 PolarHBondContact O-N 2.73Å; Q763-K766 VanDerWaalsContact OE1-NZ 3.15Å; Q763-C767 PolarHBondContact O-N 3.29Å; Q763-C767 VanDerWaalsContact O-N 3.08Å; Q763-C767 PolarHBondContact O-SG 3.41Å; Q763-C767 VanDerWaalsContact O-SG 3.35Å |
| 764 | L | 49.7 | Very low | 48.8 | Very low | 70 Ų | 70 | 98.3 Ų | 98.3 | 37% | 0.366 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 172.7 | -113.1 | 165 | 0 | 0 | 0 | 111.9 | W760 Y761 K766 C767 Q768 | W760-L764 HydrophobicContact CD2-CD1 4.11Å; W760-L764 HydrophobicContact CE3-CD1 3.99Å; W760-L764 HydrophobicContact CH2-CD1 3.42Å; W760-L764 VanDerWaalsContact CH2-CD1 3.42Å; W760-L764 HydrophobicContact CZ2-CD1 3.53Å; W760-L764 HydrophobicContact CZ3-CD1 3.66Å; W760-L764 PolarHBondContact O-N 2.97Å; Y761-L764 PolarHBondContact O-N 2.99Å; L764-K766 VanDerWaalsContact C-N 3.34Å; L764-K766 PolarHBondContact O-N 3.49Å; L764-C767 PolarHBondContact O-N 2.86Å; L764-Q768 PolarHBondContact O-N 3.41Å |
| 765 | Q | 51.8 | Low | 48.3 | Very low | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 178.5 | -167.2 | 174.1 | 20.4 | 0 | 0 | 112.3 | Y761 Q763 Q768 Q769 | Y761-Q765 WeakPolarHBondContact O-CB 3.39Å; Y761-Q765 PolarHBondContact O-N 3.47Å; Q763-Q765 VanDerWaalsContact C-N 3.34Å; Q763-Q765 PolarHBondContact O-N 3.09Å; Q765-Q768 PolarHBondContact O-N 3.16Å; Q765-Q769 WeakPolarHBondContact O-CG 3.44Å; Q765-Q769 PolarHBondContact O-N 3.42Å |
| 766 | K | 56.4 | Low | 47.9 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 172.4 | -68.7 | 168.1 | -162.7 | 167 | 0 | 111.7 | S762 Q763 L764 Q768 Q769 Q770 | S762-K766 WeakPolarHBondContact O-CG 3.35Å; S762-K766 PolarHBondContact O-N 3.27Å; S762-K766 VanDerWaalsContact O-N 3.15Å; Q763-K766 PolarHBondContact O-N 2.73Å; Q763-K766 VanDerWaalsContact OE1-NZ 3.15Å; L764-K766 VanDerWaalsContact C-N 3.34Å; L764-K766 PolarHBondContact O-N 3.49Å; K766-Q768 VanDerWaalsContact C-N 3.34Å; K766-Q768 PolarHBondContact O-N 3.16Å; K766-Q769 PolarHBondContact O-N 2.89Å; K766-Q770 WeakPolarHBondContact O-CB 3.25Å; K766-Q770 PolarHBondContact O-N 3.25Å |
| 767 | C | 51.3 | Low | 47.7 | Very low | 69 Ų | 69 | 100.7 Ų | 100.7 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.5 | -65 | 0 | 0 | 0 | 0 | 111.8 | Q763 L764 Q770 D771 | Q763-C767 PolarHBondContact O-N 3.29Å; Q763-C767 VanDerWaalsContact O-N 3.08Å; Q763-C767 PolarHBondContact O-SG 3.41Å; Q763-C767 VanDerWaalsContact O-SG 3.35Å; L764-C767 PolarHBondContact O-N 2.86Å; C767-Q770 PolarHBondContact O-N 2.98Å; C767-D771 PolarHBondContact O-N 3.34Å |
| 768 | Q | 48.7 | Very low | 47.5 | Very low | 87 Ų | 87 | 99.4 Ų | 99.4 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 175.2 | -73.5 | -179 | -24.1 | 0 | 0 | 112.6 | L764 Q765 K766 Q770 D771 Q772 | L764-Q768 PolarHBondContact O-N 3.41Å; Q765-Q768 PolarHBondContact O-N 3.16Å; K766-Q768 VanDerWaalsContact C-N 3.34Å; K766-Q768 PolarHBondContact O-N 3.16Å; Q768-Q770 VanDerWaalsContact C-N 3.34Å; Q768-Q770 PolarHBondContact O-N 3.37Å; Q768-D771 PolarHBondContact O-N 3.3Å; Q768-Q772 WeakPolarHBondContact O-CB 3.33Å; Q768-Q772 WeakPolarHBondContact O-CG 3.36Å; Q768-Q772 PolarHBondContact O-N 2.91Å |
| 769 | Q | 46.9 | Very low | 47.1 | Very low | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.2 | -75 | 174.7 | -7.4 | 0 | 0 | 112.4 | Q765 K766 Q772 S773 | Q765-Q769 WeakPolarHBondContact O-CG 3.44Å; Q765-Q769 PolarHBondContact O-N 3.42Å; K766-Q769 PolarHBondContact O-N 2.89Å; Q769-Q772 PolarHBondContact O-N 2.97Å; Q769-S773 WeakPolarHBondContact O-CB 3.15Å; Q769-S773 PolarHBondContact O-N 2.82Å |
| 770 | Q | 44 | Very low | 46.5 | Very low | 135 Ų | 135 | 104 Ų | 104 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 178.8 | -162.4 | 166.6 | 11.4 | 0 | 0 | 111.6 | K766 C767 Q768 S773 L774 | K766-Q770 WeakPolarHBondContact O-CB 3.25Å; K766-Q770 PolarHBondContact O-N 3.25Å; C767-Q770 PolarHBondContact O-N 2.98Å; Q768-Q770 VanDerWaalsContact C-N 3.34Å; Q768-Q770 PolarHBondContact O-N 3.37Å; Q770-S773 PolarHBondContact O-N 2.93Å; Q770-L774 WeakPolarHBondContact O-CG 3.46Å; Q770-L774 PolarHBondContact O-N 3.31Å |
| 771 | D | 43.2 | Very low | 46.3 | Very low | 70 Ų | 70 | 103.6 Ų | 103.6 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 173.4 | -174.4 | 50.7 | 0 | 0 | 0 | 112.5 | C767 Q768 S773 L774 R775 | C767-D771 PolarHBondContact O-N 3.34Å; Q768-D771 PolarHBondContact O-N 3.3Å; D771-S773 VanDerWaalsContact C-N 3.34Å; D771-S773 PolarHBondContact O-N 3.22Å; D771-L774 PolarHBondContact O-N 3.44Å; D771-R775 WeakPolarHBondContact O-CB 3.41Å; D771-R775 VanDerWaalsContact O-CG 3.28Å; D771-R775 WeakPolarHBondContact O-CG 3.42Å; D771-R775 PolarHBondContact O-N 3.09Å; D771-R775 IonicContact OD1-CZ 2.74Å; D771-R775 IonicContact OD1-NE 2.71Å; D771-R775 PolarHBondContact OD1-NE 2.86Å; D771-R775 IonicContact OD1-NH2 3.68Å; D771-R775 IonicContact OD2-CZ 3.51Å; D771-R775 IonicContact OD2-NE 3.17Å; D771-R775 PolarHBondContact OD2-NE 3.2Å; D771-R775 IonicContact OD2-NH2 3.2Å; D771-R775 PolarHBondContact OD2-NH2 2.92Å |
| 772 | Q | 42.1 | Very low | 46 | Very low | 122 Ų | 122 | 103.7 Ų | 103.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 172.7 | -75.5 | 178.7 | 9.2 | 0 | 0 | 112.3 | Q768 Q769 R775 H776 | Q768-Q772 WeakPolarHBondContact O-CB 3.33Å; Q768-Q772 WeakPolarHBondContact O-CG 3.36Å; Q768-Q772 PolarHBondContact O-N 2.91Å; Q769-Q772 PolarHBondContact O-N 2.97Å; Q772-R775 PolarHBondContact O-N 3.4Å; Q772-H776 PolarHBondContact O-CD2 2.97Å; Q772-H776 PolarHBondContact O-N 3.06Å |
| 773 | S | 44.1 | Very low | 45.4 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 175.5 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | Q769 Q770 D771 R775 H776 H777 | Q769-S773 WeakPolarHBondContact O-CB 3.15Å; Q769-S773 PolarHBondContact O-N 2.82Å; Q770-S773 PolarHBondContact O-N 2.93Å; D771-S773 VanDerWaalsContact C-N 3.34Å; D771-S773 PolarHBondContact O-N 3.22Å; S773-R775 VanDerWaalsContact C-N 3.3Å; S773-R775 PolarHBondContact O-N 3.1Å; S773-H776 PolarHBondContact O-N 3.16Å; S773-H776 VanDerWaalsContact O-N 3.1Å; S773-H777 PolarHBondContact O-N 3.26Å |
| 774 | L | 42.5 | Very low | 44.9 | Very low | 95 Ų | 95 | 111.2 Ų | 111.2 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 174.2 | -74.3 | 165.3 | 0 | 0 | 0 | 112.8 | Q770 D771 L778 | Q770-L774 WeakPolarHBondContact O-CG 3.46Å; Q770-L774 PolarHBondContact O-N 3.31Å; D771-L774 PolarHBondContact O-N 3.44Å; L774-L778 PolarHBondContact O-N 3.22Å |
| 775 | R | 38.4 | Very low | 44.5 | Very low | 139 Ų | 139 | 113.1 Ų | 113.1 | 53% | 0.525 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.1 | -31.1 | 174.4 | -70.4 | 173.6 | -163.4 | -100.3 | 0.7 | 113.1 | D771 Q772 S773 K779 | D771-R775 WeakPolarHBondContact O-CB 3.41Å; D771-R775 VanDerWaalsContact O-CG 3.28Å; D771-R775 WeakPolarHBondContact O-CG 3.42Å; D771-R775 PolarHBondContact O-N 3.09Å; D771-R775 IonicContact OD1-CZ 2.74Å; D771-R775 IonicContact OD1-NE 2.71Å; D771-R775 PolarHBondContact OD1-NE 2.86Å; D771-R775 IonicContact OD1-NH2 3.68Å; D771-R775 IonicContact OD2-CZ 3.51Å; D771-R775 IonicContact OD2-NE 3.17Å; D771-R775 PolarHBondContact OD2-NE 3.2Å; D771-R775 IonicContact OD2-NH2 3.2Å; D771-R775 PolarHBondContact OD2-NH2 2.92Å; Q772-R775 PolarHBondContact O-N 3.4Å; S773-R775 VanDerWaalsContact C-N 3.3Å; S773-R775 PolarHBondContact O-N 3.1Å; R775-K779 WeakPolarHBondContact O-CG 3.45Å; R775-K779 PolarHBondContact O-N 2.82Å |
| 776 | H | 44.4 | Very low | 43.7 | Very low | 142 Ų | 142 | 116 Ų | 116 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.4 | -39.7 | 173.4 | -96 | -94.6 | 0 | 0 | 0 | 112.2 | Q772 S773 K779 H780 | Q772-H776 PolarHBondContact O-CD2 2.97Å; Q772-H776 PolarHBondContact O-N 3.06Å; S773-H776 PolarHBondContact O-N 3.16Å; S773-H776 VanDerWaalsContact O-N 3.1Å; H776-K779 PolarHBondContact O-N 3.07Å; H776-H780 PolarHBondContact O-N 3.32Å |
| 777 | H | 43.6 | Very low | 42.6 | Very low | 131 Ų | 131 | 114.7 Ų | 114.7 | 61% | 0.606 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -46 | 179.6 | -148.8 | 49.2 | 0 | 0 | 0 | 111.8 | S773 K779 H780 E781 | S773-H777 PolarHBondContact O-N 3.26Å; H777-K779 VanDerWaalsContact C-N 3.29Å; H777-K779 PolarHBondContact O-N 3.14Å; H777-H780 WeakPolarHBondContact O-CA 3.19Å; H777-H780 WeakPolarHBondContact O-CB 3.3Å; H777-H780 PolarHBondContact O-N 3.26Å; H777-E781 PolarHBondContact O-N 2.88Å; H777-E781 VanDerWaalsContact O-N 3.08Å |
| 778 | L | 42.3 | Very low | 41.7 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 32% | 0.319 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.7 | -38.6 | 173.9 | -107 | 68.4 | 0 | 0 | 0 | 112.9 | L774 H780 E781 Q782 K821 | L774-L778 PolarHBondContact O-N 3.22Å; L778-H780 PolarHBondContact O-N 3Å; L778-E781 PolarHBondContact O-N 3.09Å; L778-Q782 WeakPolarHBondContact O-CB 3.48Å; L778-Q782 WeakPolarHBondContact O-CG 3.17Å; L778-Q782 PolarHBondContact O-N 3.28Å; L778-K821 HydrophobicContact CD2-CD 4.27Å |
| 779 | K | 44.1 | Very low | 41.2 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.4 | -18 | 175.8 | -78.6 | -179.4 | 175.6 | -176.5 | 0 | 113.6 | R775 H776 H777 R783 | R775-K779 WeakPolarHBondContact O-CG 3.45Å; R775-K779 PolarHBondContact O-N 2.82Å; H776-K779 PolarHBondContact O-N 3.07Å; H777-K779 VanDerWaalsContact C-N 3.29Å; H777-K779 PolarHBondContact O-N 3.14Å; K779-R783 WeakPolarHBondContact O-CG 3.34Å |
| 780 | H | 42.2 | Very low | 40.7 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -83.9 | -45.8 | 174.3 | -152.7 | -95.2 | 0 | 0 | 0 | 110.7 | H776 H777 L778 Q782 R783 I784 | H776-H780 PolarHBondContact O-N 3.32Å; H777-H780 WeakPolarHBondContact O-CA 3.19Å; H777-H780 WeakPolarHBondContact O-CB 3.3Å; H777-H780 PolarHBondContact O-N 3.26Å; L778-H780 PolarHBondContact O-N 3Å; H780-Q782 PolarHBondContact O-N 2.86Å; H780-R783 PolarHBondContact O-N 2.75Å; H780-R783 VanDerWaalsContact O-N 3.14Å; H780-I784 WeakPolarHBondContact ND1-CD1 3.47Å; H780-I784 WeakPolarHBondContact O-CG1 3.32Å; H780-I784 PolarHBondContact O-N 2.86Å; H780-I784 VanDerWaalsContact O-N 3.08Å |
| 781 | E | 43.6 | Very low | 40.1 | Very low | 111 Ų | 111 | 122 Ų | 122 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.1 | -43 | 174 | -66.8 | -175.4 | 116.4 | 0 | 0 | 112.1 | H777 L778 R783 I784 T785 | H777-E781 PolarHBondContact O-N 2.88Å; H777-E781 VanDerWaalsContact O-N 3.08Å; L778-E781 PolarHBondContact O-N 3.09Å; E781-R783 VanDerWaalsContact C-N 3.26Å; E781-R783 PolarHBondContact O-N 3.19Å; E781-I784 PolarHBondContact O-N 3.45Å; E781-I784 VanDerWaalsContact O-N 3.12Å; E781-T785 PolarHBondContact O-N 3.28Å; E781-T785 VanDerWaalsContact O-N 3.16Å; E781-T785 PolarHBondContact O-OG1 2.68Å |
| 782 | Q | 40.9 | Very low | 39.9 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -29.1 | 176.1 | -73.5 | -178.1 | -42.6 | 0 | 0 | 113.1 | L778 H780 T785 | L778-Q782 WeakPolarHBondContact O-CB 3.48Å; L778-Q782 WeakPolarHBondContact O-CG 3.17Å; L778-Q782 PolarHBondContact O-N 3.28Å; H780-Q782 PolarHBondContact O-N 2.86Å; Q782-T785 PolarHBondContact O-OG1 3.47Å |
| 783 | R | 40.3 | Very low | 39.4 | Very low | 204 Ų | 204 | 127 Ų | 127 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.7 | -20.2 | 173.7 | -79.8 | -176.7 | 169.4 | -161.6 | -4.6 | 114.3 | K779 H780 E781 | K779-R783 WeakPolarHBondContact O-CG 3.34Å; H780-R783 PolarHBondContact O-N 2.75Å; H780-R783 VanDerWaalsContact O-N 3.14Å; E781-R783 VanDerWaalsContact C-N 3.26Å; E781-R783 PolarHBondContact O-N 3.19Å |
| 784 | I | 43.4 | Very low | 39 | Very low | 108 Ų | 108 | 129 Ų | 129 | 55% | 0.554 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -85.1 | -18.1 | 176.4 | -71.5 | 169.8 | 0 | 0 | 0 | 111.4 | H780 E781 | H780-I784 WeakPolarHBondContact ND1-CD1 3.47Å; H780-I784 WeakPolarHBondContact O-CG1 3.32Å; H780-I784 PolarHBondContact O-N 2.86Å; H780-I784 VanDerWaalsContact O-N 3.08Å; E781-I784 PolarHBondContact O-N 3.45Å; E781-I784 VanDerWaalsContact O-N 3.12Å |
| 785 | T | 39.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -98.3 | 1.7 | 180 | 39.7 | 0 | 0 | 0 | 0 | 114.7 | E781 Q782 | E781-T785 PolarHBondContact O-N 3.28Å; E781-T785 VanDerWaalsContact O-N 3.16Å; E781-T785 PolarHBondContact O-OG1 2.68Å; Q782-T785 PolarHBondContact O-OG1 3.47Å |
| 786 | E | 35.7 | Very low | 38.3 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -120.4 | 22 | 173.9 | -64.8 | -177.6 | 161.1 | 0 | 0 | 111.8 | ||
| 787 | A | 33.3 | Very low | 37.8 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -120.8 | 35.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 788 | T | 32.5 | Very low | 37.3 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -148.2 | 148.3 | 172.7 | 16.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 789 | V | 38.2 | Very low | 36.8 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 70.8 | 121.5 | -167.5 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 790 | D | 36.4 | Very low | 36.4 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -154.1 | 157.4 | -24.9 | -106.6 | -32 | 0 | 0 | 0 | 108.7 | ||||
| 791 | N | 30.9 | Very low | 36 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | -140.1 | 86.6 | -176.7 | -174.5 | 34.2 | 0 | 0 | 0 | 110.7 | ||||
| 792 | I | 39.4 | Very low | 35.3 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -136.1 | 141.9 | -179.6 | -61.3 | -177.5 | 0 | 0 | 0 | 109.7 | ||||
| 793 | D | 32.4 | Very low | 35 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -61.3 | 167.3 | -171.1 | -69 | -75.5 | 0 | 0 | 0 | 116.5 | ||||
| 794 | S | 34.3 | Very low | 34.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -144 | 103.5 | 158.6 | -77.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 795 | T | 35.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -126.3 | 126.2 | 167 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 796 | C | 32.4 | Very low | 34 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | 55.6 | 89.1 | 163.5 | -64.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 797 | S | 32.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 80.8 | 147.5 | 109.8 | 76.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 798 | I | 34.2 | Very low | 34.1 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 88.4 | 89 | 158.4 | -58.6 | 162.1 | 0 | 0 | 0 | 118.4 | ||||
| 799 | S | 30.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 79.3 | 153.2 | 132.3 | -61 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 800 | P | 35.5 | Very low | 34 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -132.7 | 140.3 | -160.3 | 37.9 | -17.5 | 0 | 0 | 0 | 118 | ||||
| 801 | S | 33.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -156.6 | 119.6 | 148 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 802 | C | 29.8 | Very low | 33.9 | Very low | 92 Ų | 92 | 135 Ų | 135 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | 65.4 | 115 | 78.6 | -168.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 803 | Y | 34.3 | Very low | 33.5 | Very low | 226 Ų | 226 | 134.1 Ų | 134.1 | 89% | 0.886 | 74% | 0.742 | S | S | * | * | -166.8 | 158.5 | 122.7 | -93.9 | -57.2 | 0 | 0 | 0 | 112.7 | |||||
| 804 | H | 33.9 | Very low | 33.8 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -86.7 | 151 | -171.4 | -69.7 | -103.2 | 0 | 0 | 0 | 114.6 | ||||
| 805 | K | 36.3 | Very low | 33.6 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | -180 | 134.7 | 99.5 | -89.3 | 170.2 | -178.8 | -176 | 0 | 109.3 | |||||
| 806 | Q | 32.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | cis | 95.1 | 145.2 | 33 | -169.6 | 173.1 | 6.9 | 0 | 0 | 113.2 | ||||
| 807 | D | 37.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | trans | 83.9 | 143.6 | 174.9 | -61.2 | -44.8 | 0 | 0 | 0 | 118.9 | ||||
| 808 | N | 33.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 60% | 0.604 | 75% | 0.753 | S | S | * | * | cis | -169.9 | 145.7 | -38.9 | -128.8 | -43.5 | 0 | 0 | 0 | 111.7 | ||||
| 809 | N | 33.1 | Very low | 33 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 61.2 | 165.9 | 162.3 | -60.5 | -45.2 | 0 | 0 | 0 | 117.1 | ||||
| 810 | N | 35.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | cis | -147.2 | 169.4 | 8.1 | -145.9 | -21.9 | 0 | 0 | 0 | 112.8 | ||||
| 811 | N | 31.3 | Very low | 32.8 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -53.8 | 143.6 | -178.1 | -56.5 | -66.3 | 0 | 0 | 0 | 115.4 | ||||
| 812 | N | 34.1 | Very low | 32.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | -173.3 | 160.1 | 101.4 | -102.3 | -50.6 | 0 | 0 | 0 | 115.8 | |||||
| 813 | N | 31.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -55 | 141.9 | -178.8 | -54 | -53.3 | 0 | 0 | 0 | 114.6 | ||||
| 814 | N | 37 | Very low | 34.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | -155.6 | 147.8 | 127.5 | -108.5 | -39.6 | 0 | 0 | 0 | 112 | |||||
| 815 | N | 30.6 | Very low | 36.6 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -101.5 | 165.5 | -166.6 | -71.7 | -38.3 | 0 | 0 | 0 | 113.5 | ||||
| 816 | N | 30.7 | Very low | 38.9 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | trans | 64.1 | 108.2 | 154.9 | -56.2 | -23 | 0 | 0 | 0 | 118.4 | ||||
| 817 | N | 31 | Very low | 41.5 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | 179.2 | 99.9 | 111.9 | -90.7 | -21.4 | 0 | 0 | 0 | 112.4 | |||||
| 818 | R | 29.2 | Very low | 43.9 | Very low | 256 Ų | 256 | 120.4 Ų | 120.4 | 97% | 0.966 | 62% | 0.619 | S | S | * | * | trans | -139.3 | 77.6 | 160.2 | -79.1 | -166.8 | 172.3 | -169.9 | -2.7 | 109.1 | ||||
| 819 | Q | 29.9 | Very low | 46.6 | Very low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 59% | 0.591 | S | S | * | * | trans | -81.6 | 120.1 | -175.7 | -161.9 | 159.3 | 13.6 | 0 | 0 | 110.5 | ||||
| 820 | S | 30.5 | Very low | 49.4 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | trans | -63.9 | 139.3 | 174.9 | 34.4 | 0 | 0 | 0 | 0 | 110.7 | E822 | S820-E822 PolarHBondContact O-N 3.2Š| ||
| 821 | K | 31.9 | Very low | 52.2 | Low | 168 Ų | 168 | 103.3 Ų | 103.3 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | trans | -76.9 | 77.1 | 174.7 | -74.2 | -175.2 | 175.9 | 178.8 | 0 | 110.3 | L778 | L778-K821 HydrophobicContact CD2-CD 4.27Š| ||
| 822 | E | 34 | Very low | 55.1 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 140.4 | 176.2 | -61.5 | 160.1 | 74.6 | 0 | 0 | 112.1 | S820 K902 | S820-E822 PolarHBondContact O-N 3.2Å; E822-K902 VanDerWaalsContact OE1-CE 3.3Å; E822-K902 WeakPolarHBondContact OE1-CE 3.17Å; E822-K902 IonicContact OE1-NZ 3.92Å; E822-K902 PolarHBondContact OE1-NZ 3.03Å; E822-K902 IonicContact OE2-NZ 3.17Å; E822-K902 PolarHBondContact OE2-NZ 2.87Å |
| 823 | S | 46.5 | Very low | 57.9 | Low | 100 Ų | 100 | 91 Ų | 91 | 70% | 0.699 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 129.2 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 112 | ||
| 824 | Q | 59.2 | Low | 60.7 | Low | 132 Ų | 132 | 88.3 Ų | 88.3 | 62% | 0.617 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 140.1 | 165.9 | -72.8 | -176.7 | -63.7 | 0 | 0 | 110.7 | L899 | Q824-L899 HydrophobicContact CB-CD2 3.95Š|
| 825 | I | 72.5 | Confident | 63.2 | Low | 39 Ų | 39 | 86.9 Ų | 86.9 | 20% | 0.2 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -94 | 134.1 | 175.2 | -70.9 | 166.6 | 0 | 0 | 0 | 109.5 | L858 I881 L900 Y905 | I825-L858 HydrophobicContact CG2-CD1 4.25Å; I825-L858 HydrophobicContact CG2-CD2 3.58Å; I825-L858 HydrophobicContact CG2-CG 4.48Å; I825-I881 HydrophobicContact CD1-CD1 3.62Å; I825-L900 HydrophobicContact CG2-CD1 4.31Å; I825-L900 PolarHBondContact O-N 3.36Å; I825-Y905 HydrophobicContact CD1-CD1 3.75Å; I825-Y905 HydrophobicContact CD1-CD2 3.91Å; I825-Y905 HydrophobicContact CD1-CE1 3.64Å; I825-Y905 HydrophobicContact CD1-CE2 3.83Å; I825-Y905 HydrophobicContact CD1-CG 3.89Å |
| 826 | V | 84.4 | Confident | 66.1 | Low | 52 Ų | 52 | 83.8 Ų | 83.8 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.3 | -175 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | A859 P897 L899 | V826-A859 HydrophobicContact CB-CB 4.27Å; V826-A859 HydrophobicContact CG1-CB 4.44Å; V826-A859 PolarHBondContact O-N 3.09Å; V826-P897 HydrophobicContact CG1-CB 3.56Å; V826-L899 HydrophobicContact CG2-CD2 3.94Å |
| 827 | A | 87.6 | Confident | 68.9 | Low | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y856 I857 Y894 P897 V898 L900 | A827-Y856 HydrophobicContact CB-CD1 4.27Å; A827-Y856 HydrophobicContact CB-CG 4.4Å; A827-I857 CarbonylContact C-O 3.57Å; A827-I857 VanDerWaalsContact CA-O 3.31Å; A827-I857 WeakPolarHBondContact CA-O 3.48Å; A827-Y894 HydrophobicContact CB-CE2 4.24Å; A827-P897 CarbonylContact O-C 3.57Å; A827-P897 WeakPolarHBondContact O-CA 3.36Å; A827-V898 PolarHBondContact N-O 3.4Å; A827-V898 PolarHBondContact O-N 3.47Å; A827-L900 HydrophobicContact CB-CD1 4.21Å; A827-L900 HydrophobicContact CB-CD2 4.27Å; A827-L900 HydrophobicContact CB-CG 4.08Å |
| 828 | I | 88 | Confident | 71.3 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -6 | 177.9 | 60.3 | 171.8 | 0 | 0 | 0 | 112.9 | I857 A859 F893 Y894 | I828-I857 HydrophobicContact CD1-CG2 3.98Å; I828-I857 HydrophobicContact CG1-CB 4.1Å; I828-I857 HydrophobicContact CG1-CG2 3.78Å; I828-I857 WeakPolarHBondContact CG1-O 3.47Å; I828-I857 PolarHBondContact N-O 3.4Å; I828-A859 HydrophobicContact CG2-CB 4Å; I828-F893 HydrophobicContact CD1-CE1 4.11Å; I828-F893 HydrophobicContact CG1-CD1 4.48Å; I828-F893 HydrophobicContact CG1-CE1 4.39Å; I828-Y894 PolarHBondContact O-N 3.11Å |
| 829 | G | 90.7 | Very high | 73.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -170.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I857 N892 | G829-I857 PolarHBondContact O-N 3.02Å; G829-N892 CarbonylContact C-O 3.5Å; G829-N892 WeakPolarHBondContact CA-O 3.46Å |
| 830 | D | 92.3 | Very high | 75.1 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.4 | 170 | 57.2 | -82.1 | 0 | 0 | 0 | 111.4 | F855 K875 N892 Y894 | D830-F855 VanDerWaalsContact CA-O 3.31Å; D830-F855 WeakPolarHBondContact CA-O 3.49Å; D830-K875 VanDerWaalsContact CB-NZ 3.32Å; D830-N892 PolarHBondContact N-O 2.93Å; D830-N892 PolarHBondContact O-N 2.86Å; D830-N892 PolarHBondContact OD2-ND2 3.26Å; D830-Y894 WeakPolarHBondContact OD1-CE1 3.36Å; D830-Y894 PolarHBondContact OD1-OH 3.47Å |
| 831 | C | 92.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.7 | 170.2 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | Q854 F855 I857 V889 Q890 K891 | C831-Q854 WeakPolarHBondContact O-CA 3.46Å; C831-F855 PolarHBondContact N-O 3.31Å; C831-F855 PolarHBondContact O-N 2.98Å; C831-I857 HydrophobicContact CB-CD1 4.19Å; C831-I857 HydrophobicContact CB-CG1 4.12Å; C831-V889 HydrophobicContact CB-CB 4.06Å; C831-V889 HydrophobicContact CB-CG2 4.07Å; C831-Q890 CarbonylContact C-O 3.51Å; C831-Q890 WeakPolarHBondContact CA-O 3.45Å; C831-Q890 WeakPolarHBondContact CB-O 3.48Å; C831-K891 HydrophobicContact CB-CG 4.32Å |
| 832 | S | 92.9 | Very high | 78 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.6 | 179.4 | -46.4 | 0 | 0 | 0 | 0 | 110.3 | E853 V889 Q890 | S832-E853 CarbonylContact C-O 3.55Å; S832-E853 WeakPolarHBondContact CA-O 3.44Å; S832-V889 CarbonylContact O-C 3.49Å; S832-V889 WeakPolarHBondContact O-CA 3.32Å; S832-Q890 PolarHBondContact N-O 2.98Å; S832-Q890 PolarHBondContact O-N 3.2Å |
| 833 | A | 92.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F849 E850 D852 E853 | A833-F849 HydrophobicContact CB-CD2 3.51Å; A833-F849 HydrophobicContact CB-CE2 3.68Å; A833-E850 WeakPolarHBondContact CB-O 3.35Å; A833-D852 PolarHBondContact O-N 3.28Å; A833-E853 HydrophobicContact CB-CB 4.44Å; A833-E853 PolarHBondContact N-O 2.71Å |
| 834 | L | 90.2 | Very high | 80.6 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -92.4 | -20.4 | 177.4 | -65.5 | 172.4 | 0 | 0 | 0 | 113 | Y888 Q890 | L834-Y888 PolarHBondContact N-O 2.88Å; L834-Q890 HydrophobicContact CD1-CB 4.24Å; L834-Q890 HydrophobicContact CD2-CB 4.12Å; L834-Q890 HydrophobicContact CG-CB 4.22Å |
| 835 | Y | 90.6 | Very high | 81.4 | Confident | 138 Ų | 138 | 54.1 Ų | 54.1 | 54% | 0.541 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -147.6 | 152.9 | -176.9 | -56.7 | -67.9 | 0 | 0 | 0 | 108.8 | F849 | Y835-F849 VanDerWaalsContact O-CE2 3.26Å; Y835-F849 WeakPolarHBondContact O-CE2 3.47Å |
| 836 | P | 90.3 | Very high | 82.1 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | trans | -75.2 | 151.8 | 174.8 | 33.4 | -33.7 | 0 | 0 | 0 | 111 | F849 T851 Y888 | P836-F849 WeakPolarHBondContact CA-O 3.41Å; P836-T851 WeakPolarHBondContact CD-OG1 3.47Å; P836-Y888 WeakPolarHBondContact O-CE1 3.43Å | ||
| 837 | F | 89.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -142.9 | 118 | 178.3 | 175 | -98 | 0 | 0 | 0 | 109.4 | F842 L847 A848 F849 W869 P885 Y888 | F837-F842 HydrophobicContact CE2-CE2 4.26Å; F837-F842 HydrophobicContact CZ-CD2 4.12Å; F837-F842 HydrophobicContact CZ-CE2 4.25Å; F837-L847 VanDerWaalsContact CD1-O 3.31Å; F837-L847 WeakPolarHBondContact CD1-O 3.26Å; F837-A848 CarbonylContact O-C 3.52Å; F837-A848 WeakPolarHBondContact O-CA 3.35Å; F837-F849 HydrophobicContact CB-CD1 4.02Å; F837-F849 HydrophobicContact CB-CD2 4.23Å; F837-F849 HydrophobicContact CB-CE1 3.56Å; F837-F849 HydrophobicContact CB-CE2 3.82Å; F837-F849 HydrophobicContact CB-CG 4.34Å; F837-F849 HydrophobicContact CB-CZ 3.45Å; F837-F849 VanDerWaalsContact CB-CZ 3.45Å; F837-F849 HydrophobicContact CD1-CD1 4.05Å; F837-F849 AromaticContact CD1-CE1 3.65Å; F837-F849 HydrophobicContact CD1-CE1 3.65Å; F837-F849 HydrophobicContact CD1-CZ 4.36Å; F837-F849 HydrophobicContact CG-CD1 4.48Å; F837-F849 AromaticContact CG-CE1 3.86Å; F837-F849 HydrophobicContact CG-CE1 3.86Å; F837-F849 HydrophobicContact CG-CZ 4.1Å; F837-F849 PolarHBondContact N-O 2.94Å; F837-F849 PolarHBondContact O-N 2.99Å; F837-W869 HydrophobicContact CZ-CH2 4.28Å; F837-W869 HydrophobicContact CZ-CZ3 4.33Å; F837-P885 HydrophobicContact CD2-CG 3.87Å; F837-P885 HydrophobicContact CE2-CG 3.84Å; F837-P885 HydrophobicContact CG-CG 4.27Å; F837-P885 HydrophobicContact CZ-CG 4.2Å; F837-Y888 HydrophobicContact CB-CD1 4.05Å; F837-Y888 HydrophobicContact CB-CE1 4.27Å; F837-Y888 HydrophobicContact CD2-CE1 4.35Å |
| 838 | T | 81.7 | Confident | 82.4 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | trans | -84.8 | -18.5 | -171.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | D840 A848 | T838-D840 WeakPolarHBondContact CB-OD2 3.48Å; T838-D840 PolarHBondContact O-N 3.42Å; T838-D840 PolarHBondContact OG1-OD2 3.03Å; T838-A848 VanDerWaalsContact O-CB 3.3Å; T838-A848 WeakPolarHBondContact O-CB 3.39Å | ||
| 839 | G | 74.2 | Confident | 82.5 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | trans | 77.6 | -4.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G841 F842 | G839-G841 PolarHBondContact O-N 3.39Å; G839-F842 PolarHBondContact O-N 2.98Å | ||
| 840 | D | 64.7 | Low | 82.4 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 119.3 | -175.7 | -52.2 | -41.2 | 0 | 0 | 0 | 112.1 | T838 | T838-D840 WeakPolarHBondContact CB-OD2 3.48Å; T838-D840 PolarHBondContact O-N 3.42Å; T838-D840 PolarHBondContact OG1-OD2 3.03Å |
| 841 | G | 61.9 | Low | 82.3 | Confident | 89 Ų | 89 | 61 Ų | 61 | 92% | 0.918 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 7.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G839 | G839-G841 PolarHBondContact O-N 3.39Š|
| 842 | F | 61.9 | Low | 82.1 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -106.3 | 172.2 | 171.9 | -65.7 | -91.5 | 0 | 0 | 0 | 112.1 | F837 G839 Y846 W869 | F837-F842 HydrophobicContact CE2-CE2 4.26Å; F837-F842 HydrophobicContact CZ-CD2 4.12Å; F837-F842 HydrophobicContact CZ-CE2 4.25Å; G839-F842 PolarHBondContact O-N 2.98Å; F842-Y846 HydrophobicContact CB-CD2 3.55Å; F842-Y846 HydrophobicContact CB-CE2 4.05Å; F842-Y846 HydrophobicContact CB-CG 4.06Å; F842-Y846 HydrophobicContact CD1-CE2 4.38Å; F842-Y846 HydrophobicContact CG-CD2 4.41Å; F842-W869 HydrophobicContact CD1-CH2 4.33Å; F842-W869 HydrophobicContact CD1-CZ2 4.5Å; F842-W869 HydrophobicContact CE1-CH2 4.12Å; F842-W869 HydrophobicContact CE1-CZ2 4.11Å |
| 843 | E | 66.5 | Low | 82.1 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | trans | -68.6 | 168.1 | 179 | -65.4 | 176.9 | 155.5 | 0 | 0 | 112.6 | C845 Y846 | E843-C845 PolarHBondContact O-N 2.74Å; E843-Y846 HydrophobicContact CB-CD2 4.26Å; E843-Y846 HydrophobicContact CB-CE2 4.06Å; E843-Y846 WeakPolarHBondContact O-CD2 3.43Å; E843-Y846 PolarHBondContact O-N 3.08Å | ||
| 844 | S | 68.2 | Low | 82.1 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14 | -178 | 69.2 | 0 | 0 | 0 | 0 | 115.1 | L908 D910 | S844-L908 WeakPolarHBondContact O-CB 3.48Å; S844-L908 VanDerWaalsContact O-CD1 3.27Å; S844-L908 WeakPolarHBondContact O-CD1 3.34Å; S844-D910 WeakPolarHBondContact CB-OD1 3.34Å; S844-D910 PolarHBondContact OG-OD1 3.25Å |
| 845 | C | 77 | Confident | 82.3 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.3 | -173.6 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | E843 G882 Y883 | E843-C845 PolarHBondContact O-N 2.74Å; C845-G882 CarbonylContact O-C 3.58Å; C845-G882 VanDerWaalsContact O-CA 3.23Å; C845-G882 WeakPolarHBondContact O-CA 3.22Å; C845-Y883 HydrophobicContact CB-CD2 4.36Å; C845-Y883 PolarHBondContact O-N 2.93Å |
| 846 | Y | 87.3 | Confident | 82.3 | Confident | 55 Ų | 55 | 64 Ų | 64 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 132.9 | 178.8 | -60.6 | -85 | 0 | 0 | 0 | 111.1 | F842 E843 W869 Y883 | F842-Y846 HydrophobicContact CB-CD2 3.55Å; F842-Y846 HydrophobicContact CB-CE2 4.05Å; F842-Y846 HydrophobicContact CB-CG 4.06Å; F842-Y846 HydrophobicContact CD1-CE2 4.38Å; F842-Y846 HydrophobicContact CG-CD2 4.41Å; E843-Y846 HydrophobicContact CB-CD2 4.26Å; E843-Y846 HydrophobicContact CB-CE2 4.06Å; E843-Y846 WeakPolarHBondContact O-CD2 3.43Å; E843-Y846 PolarHBondContact O-N 3.08Å; Y846-W869 HydrophobicContact CD1-CD2 4.27Å; Y846-W869 AromaticContact CD1-CE3 3.59Å; Y846-W869 HydrophobicContact CD1-CE3 3.59Å; Y846-W869 AromaticContact CD1-CH2 3.71Å; Y846-W869 HydrophobicContact CD1-CH2 3.71Å; Y846-W869 HydrophobicContact CD1-CZ2 4.37Å; Y846-W869 AromaticContact CD1-CZ3 3.26Å; Y846-W869 HydrophobicContact CD1-CZ3 3.26Å; Y846-W869 AromaticContact CE1-CD2 3.65Å; Y846-W869 HydrophobicContact CE1-CD2 3.65Å; Y846-W869 AromaticContact CE1-CE2 3.8Å; Y846-W869 AromaticContact CE1-CE3 3.45Å; Y846-W869 HydrophobicContact CE1-CE3 3.45Å; Y846-W869 VanDerWaalsContact CE1-CE3 3.45Å; Y846-W869 HydrophobicContact CE1-CG 4.44Å; Y846-W869 AromaticContact CE1-CH2 3.62Å; Y846-W869 HydrophobicContact CE1-CH2 3.62Å; Y846-W869 AromaticContact CE1-CZ2 3.8Å; Y846-W869 HydrophobicContact CE1-CZ2 3.8Å; Y846-W869 AromaticContact CE1-CZ3 3.44Å; Y846-W869 HydrophobicContact CE1-CZ3 3.44Å; Y846-W869 VanDerWaalsContact CE1-CZ3 3.44Å; Y846-W869 HydrophobicContact CG-CZ3 4.39Å; Y846-Y883 WeakPolarHBondContact CA-O 3.48Å |
| 847 | L | 88 | Confident | 82.4 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -85 | 132.2 | -179.5 | -62.4 | 177.9 | 0 | 0 | 0 | 110.7 | F837 F849 F855 V872 E880 Y883 V884 L908 | F837-L847 VanDerWaalsContact CD1-O 3.31Å; F837-L847 WeakPolarHBondContact CD1-O 3.26Å; L847-F849 VanDerWaalsContact O-CD1 3.31Å; L847-F849 WeakPolarHBondContact O-CD1 3.49Å; L847-F855 HydrophobicContact CD1-CD1 4.31Å; L847-F855 HydrophobicContact CD1-CE1 4.14Å; L847-V872 HydrophobicContact CD1-CG2 3.95Å; L847-E880 HydrophobicContact CD2-CB 4.05Å; L847-Y883 PolarHBondContact N-O 2.83Å; L847-V884 HydrophobicContact CB-CG1 4.15Å; L847-L908 HydrophobicContact CD2-CD1 4.31Å |
| 848 | A | 88.6 | Confident | 82.5 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 132.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F837 T838 R874 | F837-A848 CarbonylContact O-C 3.52Å; F837-A848 WeakPolarHBondContact O-CA 3.35Å; T838-A848 VanDerWaalsContact O-CB 3.3Å; T838-A848 WeakPolarHBondContact O-CB 3.39Å; A848-R874 PolarHBondContact O-NH2 3.04Å |
| 849 | F | 90.8 | Very high | 82.6 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -147.4 | 152.6 | -174.4 | 61.5 | -96.1 | 0 | 0 | 0 | 114.8 | A833 Y835 P836 F837 L847 E853 F855 V884 Y888 V889 | A833-F849 HydrophobicContact CB-CD2 3.51Å; A833-F849 HydrophobicContact CB-CE2 3.68Å; Y835-F849 VanDerWaalsContact O-CE2 3.26Å; Y835-F849 WeakPolarHBondContact O-CE2 3.47Å; P836-F849 WeakPolarHBondContact CA-O 3.41Å; F837-F849 HydrophobicContact CB-CD1 4.02Å; F837-F849 HydrophobicContact CB-CD2 4.23Å; F837-F849 HydrophobicContact CB-CE1 3.56Å; F837-F849 HydrophobicContact CB-CE2 3.82Å; F837-F849 HydrophobicContact CB-CG 4.34Å; F837-F849 HydrophobicContact CB-CZ 3.45Å; F837-F849 VanDerWaalsContact CB-CZ 3.45Å; F837-F849 HydrophobicContact CD1-CD1 4.05Å; F837-F849 AromaticContact CD1-CE1 3.65Å; F837-F849 HydrophobicContact CD1-CE1 3.65Å; F837-F849 HydrophobicContact CD1-CZ 4.36Å; F837-F849 HydrophobicContact CG-CD1 4.48Å; F837-F849 AromaticContact CG-CE1 3.86Å; F837-F849 HydrophobicContact CG-CE1 3.86Å; F837-F849 HydrophobicContact CG-CZ 4.1Å; F837-F849 PolarHBondContact N-O 2.94Å; F837-F849 PolarHBondContact O-N 2.99Å; L847-F849 VanDerWaalsContact O-CD1 3.31Å; L847-F849 WeakPolarHBondContact O-CD1 3.49Å; F849-E853 WeakPolarHBondContact CA-OE2 3.43Å; F849-E853 WeakPolarHBondContact CB-OE2 3.41Å; F849-F855 HydrophobicContact CB-CE2 4.33Å; F849-F855 HydrophobicContact CB-CZ 3.63Å; F849-F855 HydrophobicContact CD1-CZ 4.4Å; F849-F855 HydrophobicContact CG-CE2 4.44Å; F849-F855 HydrophobicContact CG-CZ 4.06Å; F849-V884 HydrophobicContact CD1-CB 4.34Å; F849-V884 HydrophobicContact CD1-CG1 3.67Å; F849-V884 HydrophobicContact CE1-CB 3.65Å; F849-V884 HydrophobicContact CE1-CG1 3.49Å; F849-V884 VanDerWaalsContact CE1-CG1 3.49Å; F849-V884 HydrophobicContact CZ-CB 4.27Å; F849-V884 HydrophobicContact CZ-CG1 4.45Å; F849-Y888 HydrophobicContact CZ-CD1 4.35Å; F849-V889 HydrophobicContact CZ-CG1 4.46Å |
| 850 | E | 89.6 | Confident | 82.9 | Confident | 125 Ų | 125 | 59.7 Ų | 59.7 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | trans | -95 | 168.5 | 175 | -81.4 | -66.3 | 173.5 | 0 | 0 | 112.8 | A833 E853 | A833-E850 WeakPolarHBondContact CB-O 3.35Å; E850-E853 HydrophobicContact CB-CG 4.31Å; E850-E853 PolarHBondContact N-OE2 3.37Å; E850-E853 PolarHBondContact O-N 2.71Å | ||
| 851 | T | 89.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 146.9 | 173.7 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | P836 E853 | P836-T851 WeakPolarHBondContact CD-OG1 3.47Å; T851-E853 PolarHBondContact O-N 3.04Å; T851-E853 VanDerWaalsContact O-N 3.14Å |
| 852 | D | 89.2 | Confident | 83.4 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 2.3 | -177.1 | -62.2 | -51.8 | 0 | 0 | 0 | 116.4 | A833 | A833-D852 PolarHBondContact O-N 3.28Š|
| 853 | E | 92.5 | Very high | 83.1 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | trans | -63.3 | 148.4 | 170.4 | -79.8 | -155.8 | 85.7 | 0 | 0 | 112.8 | S832 A833 F849 E850 T851 F855 R874 Q876 | S832-E853 CarbonylContact C-O 3.55Å; S832-E853 WeakPolarHBondContact CA-O 3.44Å; A833-E853 HydrophobicContact CB-CB 4.44Å; A833-E853 PolarHBondContact N-O 2.71Å; F849-E853 WeakPolarHBondContact CA-OE2 3.43Å; F849-E853 WeakPolarHBondContact CB-OE2 3.41Å; E850-E853 HydrophobicContact CB-CG 4.31Å; E850-E853 PolarHBondContact N-OE2 3.37Å; E850-E853 PolarHBondContact O-N 2.71Å; T851-E853 PolarHBondContact O-N 3.04Å; T851-E853 VanDerWaalsContact O-N 3.14Å; E853-F855 HydrophobicContact CB-CE2 3.86Å; E853-F855 HydrophobicContact CB-CZ 4.01Å; E853-R874 VanDerWaalsContact CD-NH2 3.28Å; E853-R874 IonicContact OE1-CZ 3.28Å; E853-R874 IonicContact OE1-NE 3.46Å; E853-R874 PolarHBondContact OE1-NE 3.49Å; E853-R874 IonicContact OE1-NH2 2.79Å; E853-R874 PolarHBondContact OE1-NH2 3.41Å; E853-R874 IonicContact OE2-CZ 3.24Å; E853-R874 IonicContact OE2-NE 2.74Å; E853-R874 IonicContact OE2-NH2 2.89Å; E853-R874 PolarHBondContact OE2-NH2 2.92Å; E853-Q876 PolarHBondContact OE1-NE2 3.46Å | ||
| 854 | Q | 91.8 | Very high | 83.2 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.1 | -176.8 | -66.4 | -157.7 | 4.2 | 0 | 0 | 114.4 | C831 K875 | C831-Q854 WeakPolarHBondContact O-CA 3.46Å; Q854-K875 HydrophobicContact CB-CD 3.77Å; Q854-K875 HydrophobicContact CB-CG 4.26Å; Q854-K875 WeakPolarHBondContact O-CB 3.36Å; Q854-K875 WeakPolarHBondContact O-CG 3.43Å; Q854-K875 PolarHBondContact O-N 3.23Å |
| 855 | F | 93.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 157.2 | -176.5 | -49.5 | -98.6 | 0 | 0 | 0 | 111.1 | D830 C831 L847 F849 E853 V872 C873 R874 K875 | D830-F855 VanDerWaalsContact CA-O 3.31Å; D830-F855 WeakPolarHBondContact CA-O 3.49Å; C831-F855 PolarHBondContact N-O 3.31Å; C831-F855 PolarHBondContact O-N 2.98Å; L847-F855 HydrophobicContact CD1-CD1 4.31Å; L847-F855 HydrophobicContact CD1-CE1 4.14Å; F849-F855 HydrophobicContact CB-CE2 4.33Å; F849-F855 HydrophobicContact CB-CZ 3.63Å; F849-F855 HydrophobicContact CD1-CZ 4.4Å; F849-F855 HydrophobicContact CG-CE2 4.44Å; F849-F855 HydrophobicContact CG-CZ 4.06Å; E853-F855 HydrophobicContact CB-CE2 3.86Å; E853-F855 HydrophobicContact CB-CZ 4.01Å; F855-V872 HydrophobicContact CB-CB 3.87Å; F855-V872 HydrophobicContact CB-CG1 4.35Å; F855-V872 HydrophobicContact CB-CG2 4.13Å; F855-V872 HydrophobicContact CD1-CB 4.43Å; F855-V872 HydrophobicContact CD1-CG2 3.79Å; F855-V872 HydrophobicContact CG-CB 4.4Å; F855-V872 HydrophobicContact CG-CG2 4.1Å; F855-C873 CarbonylContact C-O 3.57Å; F855-C873 VanDerWaalsContact CA-O 3.22Å; F855-C873 WeakPolarHBondContact CA-O 3.11Å; F855-C873 WeakPolarHBondContact CB-O 3.44Å; F855-R874 HydrophobicContact CD1-CB 4.23Å; F855-R874 HydrophobicContact CD1-CG 4.25Å; F855-R874 HydrophobicContact CE1-CB 4.25Å; F855-R874 HydrophobicContact CE1-CG 3.87Å; F855-K875 WeakPolarHBondContact O-CE 3.38Å |
| 856 | Y | 92.6 | Very high | 82.9 | Confident | 66 Ų | 66 | 60 Ų | 60 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.1 | 162.1 | -65.9 | -68.7 | 0 | 0 | 0 | 109.3 | A827 V872 C873 K875 L900 | A827-Y856 HydrophobicContact CB-CD1 4.27Å; A827-Y856 HydrophobicContact CB-CG 4.4Å; Y856-V872 CarbonylContact O-C 3.54Å; Y856-V872 WeakPolarHBondContact O-CA 3.49Å; Y856-V872 WeakPolarHBondContact O-CB 3.41Å; Y856-C873 PolarHBondContact N-O 2.86Å; Y856-C873 PolarHBondContact O-N 2.99Å; Y856-K875 HydrophobicContact CD2-CG 3.84Å; Y856-K875 HydrophobicContact CE1-CD 4.33Å; Y856-K875 HydrophobicContact CE1-CG 4.48Å; Y856-K875 HydrophobicContact CE2-CB 4.39Å; Y856-K875 HydrophobicContact CE2-CD 4.33Å; Y856-K875 HydrophobicContact CE2-CG 3.71Å; Y856-K875 HydrophobicContact CG-CG 4.29Å; Y856-L900 HydrophobicContact CD1-CD2 4.18Å; Y856-L900 HydrophobicContact CD2-CD1 3.7Å; Y856-L900 HydrophobicContact CD2-CD2 3.91Å; Y856-L900 HydrophobicContact CD2-CG 4.5Å; Y856-L900 HydrophobicContact CE1-CD2 4.07Å; Y856-L900 HydrophobicContact CE2-CD1 4.3Å; Y856-L900 HydrophobicContact CE2-CD2 3.78Å; Y856-L900 HydrophobicContact CG-CD1 3.97Å; Y856-L900 HydrophobicContact CG-CD2 4.11Å |
| 857 | I | 92.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.5 | 171.8 | -52 | 173.8 | 0 | 0 | 0 | 107.7 | A827 I828 G829 C831 L870 K891 F893 | A827-I857 CarbonylContact C-O 3.57Å; A827-I857 VanDerWaalsContact CA-O 3.31Å; A827-I857 WeakPolarHBondContact CA-O 3.48Å; I828-I857 HydrophobicContact CD1-CG2 3.98Å; I828-I857 HydrophobicContact CG1-CB 4.1Å; I828-I857 HydrophobicContact CG1-CG2 3.78Å; I828-I857 WeakPolarHBondContact CG1-O 3.47Å; I828-I857 PolarHBondContact N-O 3.4Å; G829-I857 PolarHBondContact O-N 3.02Å; C831-I857 HydrophobicContact CB-CD1 4.19Å; C831-I857 HydrophobicContact CB-CG1 4.12Å; I857-L870 HydrophobicContact CG2-CD2 4.25Å; I857-K891 HydrophobicContact CD1-CB 4.16Å; I857-K891 HydrophobicContact CD1-CD 4.42Å; I857-K891 HydrophobicContact CD1-CG 4Å; I857-F893 HydrophobicContact CD1-CD1 4.49Å; I857-F893 HydrophobicContact CD1-CE1 4.06Å; I857-F893 HydrophobicContact CD1-CZ 4.3Å; I857-F893 HydrophobicContact CG2-CE1 4.46Å |
| 858 | L | 90.7 | Very high | 82.1 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 155.1 | -178.1 | -56.2 | -172.9 | 0 | 0 | 0 | 111.9 | I825 T860 H871 C873 I881 L900 | I825-L858 HydrophobicContact CG2-CD1 4.25Å; I825-L858 HydrophobicContact CG2-CD2 3.58Å; I825-L858 HydrophobicContact CG2-CG 4.48Å; L858-T860 PolarHBondContact O-N 3.22Å; L858-H871 PolarHBondContact N-O 3.11Å; L858-C873 HydrophobicContact CD1-CB 4.29Å; L858-C873 HydrophobicContact CD2-CB 4.03Å; L858-C873 HydrophobicContact CG-CB 4.42Å; L858-I881 HydrophobicContact CD1-CG2 3.85Å; L858-L900 HydrophobicContact CD2-CD1 4.48Å |
| 859 | A | 84 | Confident | 82 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | trans | -70.9 | 111.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | V826 I828 | V826-A859 HydrophobicContact CB-CB 4.27Å; V826-A859 HydrophobicContact CG1-CB 4.44Å; V826-A859 PolarHBondContact O-N 3.09Å; I828-A859 HydrophobicContact CG2-CB 4Å | ||
| 860 | T | 80.6 | Confident | 82 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | trans | -81.3 | 166.8 | 172.2 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | L858 E864 T866 H871 | L858-T860 PolarHBondContact O-N 3.22Å; T860-E864 WeakPolarHBondContact CB-OE2 3.38Å; T860-E864 WeakPolarHBondContact CG2-OE2 3.31Å; T860-T866 HydrophobicContact CG2-CG2 3.86Å; T860-H871 HydrophobicContact CG2-CB 3.52Å | ||
| 861 | D | 73.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | trans | -68.8 | 140.6 | 169 | -172 | -71.7 | 0 | 0 | 0 | 109.8 | T863 E864 | D861-T863 PolarHBondContact O-N 3.49Å; D861-T863 WeakPolarHBondContact OD1-CB 3.17Å; D861-T863 PolarHBondContact OD1-N 3.45Å; D861-T863 PolarHBondContact OD1-OG1 2.89Å; D861-E864 HydrophobicContact CB-CB 4.47Å; D861-E864 PolarHBondContact N-OE2 3.39Å; D861-E864 WeakPolarHBondContact O-CB 3.48Å; D861-E864 PolarHBondContact O-N 3.33Å | ||
| 862 | P | 64.1 | Low | 82.3 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -2.2 | 177.1 | 26.1 | -35.8 | 0 | 0 | 0 | 115.1 | ||
| 863 | T | 55.1 | Low | 82.3 | Confident | 109 Ų | 109 | 54.6 Ų | 54.6 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.9 | 169.6 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | D861 | D861-T863 PolarHBondContact O-N 3.49Å; D861-T863 WeakPolarHBondContact OD1-CB 3.17Å; D861-T863 PolarHBondContact OD1-N 3.45Å; D861-T863 PolarHBondContact OD1-OG1 2.89Å |
| 864 | E | 68.4 | Low | 82.3 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -100.5 | 125.5 | -173.1 | -159.3 | 155.7 | -116.3 | 0 | 0 | 111.1 | T860 D861 T866 Y883 | T860-E864 WeakPolarHBondContact CB-OE2 3.38Å; T860-E864 WeakPolarHBondContact CG2-OE2 3.31Å; D861-E864 HydrophobicContact CB-CB 4.47Å; D861-E864 PolarHBondContact N-OE2 3.39Å; D861-E864 WeakPolarHBondContact O-CB 3.48Å; D861-E864 PolarHBondContact O-N 3.33Å; E864-T866 PolarHBondContact O-N 3.01Å; E864-Y883 PolarHBondContact OE1-OH 2.85Å |
| 865 | D | 70.1 | Confident | 81.9 | Confident | 119 Ų | 119 | 54.7 Ų | 54.7 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | trans | -81.6 | 114.7 | -175.1 | -163 | -23.6 | 0 | 0 | 0 | 111.3 | T867 | D865-T867 VanDerWaalsContact CG-OG1 3.31Å; D865-T867 WeakPolarHBondContact OD1-CB 3.48Å; D865-T867 WeakPolarHBondContact OD1-CG2 3.45Å; D865-T867 PolarHBondContact OD1-N 3.32Å; D865-T867 PolarHBondContact OD1-OG1 3.41Å | ||
| 866 | T | 69.9 | Low | 80.9 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 37% | 0.368 | 32% | 0.321 | S | S | . | . | trans | -103.1 | 14.9 | -177.1 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | T860 E864 W869 T886 | T860-T866 HydrophobicContact CG2-CG2 3.86Å; E864-T866 PolarHBondContact O-N 3.01Å; T866-W869 CarbonylContact C-O 3.54Å; T866-W869 VanDerWaalsContact CA-O 3.28Å; T866-W869 WeakPolarHBondContact CA-O 3.44Å; T866-T886 PolarHBondContact O-OG1 3.22Å | ||
| 867 | T | 75.6 | Confident | 78.9 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 54% | 0.54 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -67.7 | -52.6 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | D865 T886 | D865-T867 VanDerWaalsContact CG-OG1 3.31Å; D865-T867 WeakPolarHBondContact OD1-CB 3.48Å; D865-T867 WeakPolarHBondContact OD1-CG2 3.45Å; D865-T867 PolarHBondContact OD1-N 3.32Å; D865-T867 PolarHBondContact OD1-OG1 3.41Å; T867-T886 WeakPolarHBondContact O-CB 3.39Å; T867-T886 WeakPolarHBondContact O-CG2 3.31Å; T867-T886 PolarHBondContact O-OG1 3.42Å; T867-T886 VanDerWaalsContact O-OG1 3.14Å |
| 868 | D | 81.2 | Confident | 77.2 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -92.3 | -27.6 | -176.3 | -69.3 | -26.2 | 0 | 0 | 0 | 113.8 | T886 | D868-T886 WeakPolarHBondContact O-CB 3.46Å; D868-T886 PolarHBondContact O-N 2.93Å |
| 869 | W | 88.3 | Confident | 76.1 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.5 | -174.5 | -60.7 | 95.1 | 0 | 0 | 0 | 112.7 | F837 F842 Y846 T866 Y883 V884 P885 T886 | F837-W869 HydrophobicContact CZ-CH2 4.28Å; F837-W869 HydrophobicContact CZ-CZ3 4.33Å; F842-W869 HydrophobicContact CD1-CH2 4.33Å; F842-W869 HydrophobicContact CD1-CZ2 4.5Å; F842-W869 HydrophobicContact CE1-CH2 4.12Å; F842-W869 HydrophobicContact CE1-CZ2 4.11Å; Y846-W869 HydrophobicContact CD1-CD2 4.27Å; Y846-W869 AromaticContact CD1-CE3 3.59Å; Y846-W869 HydrophobicContact CD1-CE3 3.59Å; Y846-W869 AromaticContact CD1-CH2 3.71Å; Y846-W869 HydrophobicContact CD1-CH2 3.71Å; Y846-W869 HydrophobicContact CD1-CZ2 4.37Å; Y846-W869 AromaticContact CD1-CZ3 3.26Å; Y846-W869 HydrophobicContact CD1-CZ3 3.26Å; Y846-W869 AromaticContact CE1-CD2 3.65Å; Y846-W869 HydrophobicContact CE1-CD2 3.65Å; Y846-W869 AromaticContact CE1-CE2 3.8Å; Y846-W869 AromaticContact CE1-CE3 3.45Å; Y846-W869 HydrophobicContact CE1-CE3 3.45Å; Y846-W869 VanDerWaalsContact CE1-CE3 3.45Å; Y846-W869 HydrophobicContact CE1-CG 4.44Å; Y846-W869 AromaticContact CE1-CH2 3.62Å; Y846-W869 HydrophobicContact CE1-CH2 3.62Å; Y846-W869 AromaticContact CE1-CZ2 3.8Å; Y846-W869 HydrophobicContact CE1-CZ2 3.8Å; Y846-W869 AromaticContact CE1-CZ3 3.44Å; Y846-W869 HydrophobicContact CE1-CZ3 3.44Å; Y846-W869 VanDerWaalsContact CE1-CZ3 3.44Å; Y846-W869 HydrophobicContact CG-CZ3 4.39Å; T866-W869 CarbonylContact C-O 3.54Å; T866-W869 VanDerWaalsContact CA-O 3.28Å; T866-W869 WeakPolarHBondContact CA-O 3.44Å; W869-Y883 HydrophobicContact CB-CD1 4.21Å; W869-V884 VanDerWaalsContact CE3-C 3.5Å; W869-P885 HydrophobicContact CE3-CB 4.31Å; W869-P885 HydrophobicContact CE3-CG 4.2Å; W869-P885 HydrophobicContact CH2-CG 4.04Å; W869-P885 HydrophobicContact CZ3-CB 4.06Å; W869-P885 HydrophobicContact CZ3-CG 3.54Å; W869-T886 PolarHBondContact N-OG1 2.88Å |
| 870 | L | 89.4 | Confident | 76 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.5 | 174.4 | -68.7 | 154.7 | 0 | 0 | 0 | 109.7 | I857 V872 Y883 V884 T886 V889 K891 | I857-L870 HydrophobicContact CG2-CD2 4.25Å; L870-V872 HydrophobicContact CB-CG1 3.91Å; L870-Y883 WeakPolarHBondContact O-CA 3.35Å; L870-V884 HydrophobicContact CB-CG2 4.13Å; L870-V884 PolarHBondContact N-O 3.36Å; L870-V884 PolarHBondContact O-N 2.92Å; L870-T886 WeakPolarHBondContact CG-OG1 2.78Å; L870-V889 HydrophobicContact CD1-CG2 3.41Å; L870-V889 VanDerWaalsContact CD1-CG2 3.41Å; L870-K891 HydrophobicContact CD1-CD 3.62Å; L870-K891 HydrophobicContact CD1-CG 3.98Å; L870-K891 HydrophobicContact CD2-CD 4.01Å; L870-K891 HydrophobicContact CG-CD 4.44Å |
| 871 | H | 92.2 | Very high | 76.3 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 22% | 0.218 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.5 | 169.1 | -169 | -161 | 0 | 0 | 0 | 108.9 | L858 T860 I881 Y883 | L858-H871 PolarHBondContact N-O 3.11Å; T860-H871 HydrophobicContact CG2-CB 3.52Å; H871-I881 VanDerWaalsContact NE2-CG2 3.26Å; H871-I881 WeakPolarHBondContact NE2-CG2 3.31Å; H871-Y883 HydrophobicContact CB-CD1 4.18Å; H871-Y883 HydrophobicContact CB-CE1 3.65Å |
| 872 | V | 92.1 | Very high | 77 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.7 | -169.7 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | L847 F855 Y856 L870 I881 G882 V884 | L847-V872 HydrophobicContact CD1-CG2 3.95Å; F855-V872 HydrophobicContact CB-CB 3.87Å; F855-V872 HydrophobicContact CB-CG1 4.35Å; F855-V872 HydrophobicContact CB-CG2 4.13Å; F855-V872 HydrophobicContact CD1-CB 4.43Å; F855-V872 HydrophobicContact CD1-CG2 3.79Å; F855-V872 HydrophobicContact CG-CB 4.4Å; F855-V872 HydrophobicContact CG-CG2 4.1Å; Y856-V872 CarbonylContact O-C 3.54Å; Y856-V872 WeakPolarHBondContact O-CA 3.49Å; Y856-V872 WeakPolarHBondContact O-CB 3.41Å; L870-V872 HydrophobicContact CB-CG1 3.91Å; V872-I881 WeakPolarHBondContact O-CA 3.38Å; V872-G882 PolarHBondContact N-O 3.25Å; V872-G882 PolarHBondContact O-N 3.3Å; V872-G882 VanDerWaalsContact O-N 3.07Å; V872-V884 HydrophobicContact CB-CG2 4.41Å; V872-V884 HydrophobicContact CG1-CG2 3.73Å; V872-V884 HydrophobicContact CG2-CB 4.31Å; V872-V884 HydrophobicContact CG2-CG1 3.68Å; V872-V884 HydrophobicContact CG2-CG2 3.73Å |
| 873 | C | 91 | Very high | 78.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.6 | 167.8 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | F855 Y856 L858 E880 I881 | F855-C873 CarbonylContact C-O 3.57Å; F855-C873 VanDerWaalsContact CA-O 3.22Å; F855-C873 WeakPolarHBondContact CA-O 3.11Å; F855-C873 WeakPolarHBondContact CB-O 3.44Å; Y856-C873 PolarHBondContact N-O 2.86Å; Y856-C873 PolarHBondContact O-N 2.99Å; L858-C873 HydrophobicContact CD1-CB 4.29Å; L858-C873 HydrophobicContact CD2-CB 4.03Å; L858-C873 HydrophobicContact CG-CB 4.42Å; C873-E880 WeakPolarHBondContact CA-O 3.48Å; C873-I881 HydrophobicContact CB-CG1 4.45Å |
| 874 | R | 90.7 | Very high | 80 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 14% | 0.143 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 139 | 174.2 | -148.9 | 176 | -155.6 | 137.3 | 10.4 | 109.8 | A848 E853 F855 Q876 E880 | A848-R874 PolarHBondContact O-NH2 3.04Å; E853-R874 VanDerWaalsContact CD-NH2 3.28Å; E853-R874 IonicContact OE1-CZ 3.28Å; E853-R874 IonicContact OE1-NE 3.46Å; E853-R874 PolarHBondContact OE1-NE 3.49Å; E853-R874 IonicContact OE1-NH2 2.79Å; E853-R874 PolarHBondContact OE1-NH2 3.41Å; E853-R874 IonicContact OE2-CZ 3.24Å; E853-R874 IonicContact OE2-NE 2.74Å; E853-R874 IonicContact OE2-NH2 2.89Å; E853-R874 PolarHBondContact OE2-NH2 2.92Å; F855-R874 HydrophobicContact CD1-CB 4.23Å; F855-R874 HydrophobicContact CD1-CG 4.25Å; F855-R874 HydrophobicContact CE1-CB 4.25Å; F855-R874 HydrophobicContact CE1-CG 3.87Å; R874-Q876 HydrophobicContact CG-CB 4.24Å; R874-Q876 HydrophobicContact CG-CG 4.26Å; R874-Q876 PolarHBondContact O-N 3.34Å; R874-E880 HydrophobicContact CB-CB 4.43Å; R874-E880 WeakPolarHBondContact CD-OE2 3.46Å; R874-E880 IonicContact CZ-OE2 3.27Å; R874-E880 PolarHBondContact N-O 3.47Å; R874-E880 IonicContact NE-OE2 3.45Å; R874-E880 IonicContact NH1-OE2 3.59Å; R874-E880 PolarHBondContact NH1-OE2 3.43Å |
| 875 | K | 84.9 | Confident | 81.1 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 30% | 0.296 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.5 | -1 | 175.8 | -65.5 | -169 | -166.7 | 171.3 | 0 | 113.7 | D830 Q854 F855 Y856 | D830-K875 VanDerWaalsContact CB-NZ 3.32Å; Q854-K875 HydrophobicContact CB-CD 3.77Å; Q854-K875 HydrophobicContact CB-CG 4.26Å; Q854-K875 WeakPolarHBondContact O-CB 3.36Å; Q854-K875 WeakPolarHBondContact O-CG 3.43Å; Q854-K875 PolarHBondContact O-N 3.23Å; F855-K875 WeakPolarHBondContact O-CE 3.38Å; Y856-K875 HydrophobicContact CD2-CG 3.84Å; Y856-K875 HydrophobicContact CE1-CD 4.33Å; Y856-K875 HydrophobicContact CE1-CG 4.48Å; Y856-K875 HydrophobicContact CE2-CB 4.39Å; Y856-K875 HydrophobicContact CE2-CD 4.33Å; Y856-K875 HydrophobicContact CE2-CG 3.71Å; Y856-K875 HydrophobicContact CG-CG 4.29Å |
| 876 | Q | 71.1 | Confident | 82.1 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -82.8 | -176.8 | -176.5 | -63.6 | -168.4 | 18 | 0 | 0 | 112.2 | E853 R874 T878 | E853-Q876 PolarHBondContact OE1-NE2 3.46Å; R874-Q876 HydrophobicContact CG-CB 4.24Å; R874-Q876 HydrophobicContact CG-CG 4.26Å; R874-Q876 PolarHBondContact O-N 3.34Å; Q876-T878 PolarHBondContact O-N 3.5Å |
| 877 | R | 52.4 | Low | 83.1 | Confident | 253 Ų | 253 | 53.1 Ų | 53.1 | 96% | 0.955 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -66.5 | -21.5 | -173.6 | -155.4 | 177.3 | -167.2 | 168.2 | 3.7 | 113.6 | ||
| 878 | T | 56.7 | Low | 83.9 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -94.3 | 115.7 | 165 | 47.2 | 0 | 0 | 0 | 0 | 109 | Q876 E880 | Q876-T878 PolarHBondContact O-N 3.5Å; T878-E880 WeakPolarHBondContact CB-OE1 3.49Å; T878-E880 PolarHBondContact O-N 2.87Å; T878-E880 PolarHBondContact OG1-OE1 3.06Å |
| 879 | Q | 67.5 | Low | 84.4 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 63.6 | 174.1 | -71.3 | -169.4 | -56.8 | 0 | 0 | 110.3 | S903 Y905 V906 | Q879-S903 VanDerWaalsContact CD-OG 3.26Å; Q879-S903 PolarHBondContact OE1-OG 3.21Å; Q879-Y905 HydrophobicContact CB-CD1 3.56Å; Q879-Y905 HydrophobicContact CB-CE1 3.76Å; Q879-Y905 HydrophobicContact CB-CG 4.29Å; Q879-Y905 HydrophobicContact CG-CD1 4.45Å; Q879-Y905 HydrophobicContact CG-CE1 4.18Å; Q879-Y905 PolarHBondContact NE2-OH 3.12Å; Q879-Y905 WeakPolarHBondContact O-CA 3.31Å; Q879-Y905 VanDerWaalsContact OE1-CZ 3.3Å; Q879-V906 PolarHBondContact O-N 3.14Å |
| 880 | E | 81 | Confident | 84.6 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.7 | 173.1 | -71.8 | 149.9 | -152.6 | 0 | 0 | 109.8 | L847 C873 R874 T878 | L847-E880 HydrophobicContact CD2-CB 4.05Å; C873-E880 WeakPolarHBondContact CA-O 3.48Å; R874-E880 HydrophobicContact CB-CB 4.43Å; R874-E880 WeakPolarHBondContact CD-OE2 3.46Å; R874-E880 IonicContact CZ-OE2 3.27Å; R874-E880 PolarHBondContact N-O 3.47Å; R874-E880 IonicContact NE-OE2 3.45Å; R874-E880 IonicContact NH1-OE2 3.59Å; R874-E880 PolarHBondContact NH1-OE2 3.43Å; T878-E880 WeakPolarHBondContact CB-OE1 3.49Å; T878-E880 PolarHBondContact O-N 2.87Å; T878-E880 PolarHBondContact OG1-OE1 3.06Å |
| 881 | I | 87 | Confident | 84.7 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.6 | 176.3 | -56.3 | 176.3 | 0 | 0 | 0 | 108.8 | I825 L858 H871 V872 C873 Y905 | I825-I881 HydrophobicContact CD1-CD1 3.62Å; L858-I881 HydrophobicContact CD1-CG2 3.85Å; H871-I881 VanDerWaalsContact NE2-CG2 3.26Å; H871-I881 WeakPolarHBondContact NE2-CG2 3.31Å; V872-I881 WeakPolarHBondContact O-CA 3.38Å; C873-I881 HydrophobicContact CB-CG1 4.45Å; I881-Y905 HydrophobicContact CD1-CD1 3.63Å; I881-Y905 HydrophobicContact CD1-CE1 4.43Å; I881-Y905 HydrophobicContact CD1-CG 4.06Å; I881-Y905 HydrophobicContact CG1-CD1 3.89Å |
| 882 | G | 88.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -161.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C845 V872 | C845-G882 CarbonylContact O-C 3.58Å; C845-G882 VanDerWaalsContact O-CA 3.23Å; C845-G882 WeakPolarHBondContact O-CA 3.22Å; V872-G882 PolarHBondContact N-O 3.25Å; V872-G882 PolarHBondContact O-N 3.3Å; V872-G882 VanDerWaalsContact O-N 3.07Å |
| 883 | Y | 91 | Very high | 84.4 | Confident | 52 Ų | 52 | 61 Ų | 61 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.9 | -176.4 | -70 | -83.6 | 0 | 0 | 0 | 112.8 | C845 Y846 L847 E864 W869 L870 H871 | C845-Y883 HydrophobicContact CB-CD2 4.36Å; C845-Y883 PolarHBondContact O-N 2.93Å; Y846-Y883 WeakPolarHBondContact CA-O 3.48Å; L847-Y883 PolarHBondContact N-O 2.83Å; E864-Y883 PolarHBondContact OE1-OH 2.85Å; W869-Y883 HydrophobicContact CB-CD1 4.21Å; L870-Y883 WeakPolarHBondContact O-CA 3.35Å; H871-Y883 HydrophobicContact CB-CD1 4.18Å; H871-Y883 HydrophobicContact CB-CE1 3.65Å |
| 884 | V | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.1 | 172.4 | -62 | 0 | 0 | 0 | 0 | 111 | L847 F849 W869 L870 V872 T886 V889 | L847-V884 HydrophobicContact CB-CG1 4.15Å; F849-V884 HydrophobicContact CD1-CB 4.34Å; F849-V884 HydrophobicContact CD1-CG1 3.67Å; F849-V884 HydrophobicContact CE1-CB 3.65Å; F849-V884 HydrophobicContact CE1-CG1 3.49Å; F849-V884 VanDerWaalsContact CE1-CG1 3.49Å; F849-V884 HydrophobicContact CZ-CB 4.27Å; F849-V884 HydrophobicContact CZ-CG1 4.45Å; W869-V884 VanDerWaalsContact CE3-C 3.5Å; L870-V884 HydrophobicContact CB-CG2 4.13Å; L870-V884 PolarHBondContact N-O 3.36Å; L870-V884 PolarHBondContact O-N 2.92Å; V872-V884 HydrophobicContact CB-CG2 4.41Å; V872-V884 HydrophobicContact CG1-CG2 3.73Å; V872-V884 HydrophobicContact CG2-CB 4.31Å; V872-V884 HydrophobicContact CG2-CG1 3.68Å; V872-V884 HydrophobicContact CG2-CG2 3.73Å; V884-T886 PolarHBondContact O-N 3.02Å; V884-V889 HydrophobicContact CG2-CG1 4.16Å |
| 885 | P | 91.5 | Very high | 83.2 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.7 | -178.9 | -14.1 | 25 | 0 | 0 | 0 | 111.9 | F837 W869 A887 Y888 | F837-P885 HydrophobicContact CD2-CG 3.87Å; F837-P885 HydrophobicContact CE2-CG 3.84Å; F837-P885 HydrophobicContact CG-CG 4.27Å; F837-P885 HydrophobicContact CZ-CG 4.2Å; W869-P885 HydrophobicContact CE3-CB 4.31Å; W869-P885 HydrophobicContact CE3-CG 4.2Å; W869-P885 HydrophobicContact CH2-CG 4.04Å; W869-P885 HydrophobicContact CZ3-CB 4.06Å; W869-P885 HydrophobicContact CZ3-CG 3.54Å; P885-A887 PolarHBondContact O-N 3.32Å; P885-A887 VanDerWaalsContact O-N 3.15Å; P885-Y888 HydrophobicContact CB-CD2 3.8Å; P885-Y888 HydrophobicContact CB-CG 4.14Å; P885-Y888 HydrophobicContact CG-CD2 4.14Å; P885-Y888 HydrophobicContact CG-CG 4.17Å; P885-Y888 PolarHBondContact O-N 3.34Å |
| 886 | T | 90.3 | Very high | 82.6 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -56.6 | -32.8 | 178.2 | -76.6 | 0 | 0 | 0 | 0 | 112.9 | T866 T867 D868 W869 L870 V884 Y888 | T866-T886 PolarHBondContact O-OG1 3.22Å; T867-T886 WeakPolarHBondContact O-CB 3.39Å; T867-T886 WeakPolarHBondContact O-CG2 3.31Å; T867-T886 PolarHBondContact O-OG1 3.42Å; T867-T886 VanDerWaalsContact O-OG1 3.14Å; D868-T886 WeakPolarHBondContact O-CB 3.46Å; D868-T886 PolarHBondContact O-N 2.93Å; W869-T886 PolarHBondContact N-OG1 2.88Å; L870-T886 WeakPolarHBondContact CG-OG1 2.78Å; V884-T886 PolarHBondContact O-N 3.02Å; T886-Y888 VanDerWaalsContact C-N 3.3Å; T886-Y888 PolarHBondContact O-N 3.45Å |
| 887 | A | 90.9 | Very high | 82.8 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -74.9 | -16 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | P885 | P885-A887 PolarHBondContact O-N 3.32Å; P885-A887 VanDerWaalsContact O-N 3.15Å |
| 888 | Y | 92.2 | Very high | 84.2 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 35% | 0.353 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -95.9 | -5.1 | -174.8 | -82.5 | -123.4 | 0 | 0 | 0 | 113.2 | L834 P836 F837 F849 P885 T886 | L834-Y888 PolarHBondContact N-O 2.88Å; P836-Y888 WeakPolarHBondContact O-CE1 3.43Å; F837-Y888 HydrophobicContact CB-CD1 4.05Å; F837-Y888 HydrophobicContact CB-CE1 4.27Å; F837-Y888 HydrophobicContact CD2-CE1 4.35Å; F849-Y888 HydrophobicContact CZ-CD1 4.35Å; P885-Y888 HydrophobicContact CB-CD2 3.8Å; P885-Y888 HydrophobicContact CB-CG 4.14Å; P885-Y888 HydrophobicContact CG-CD2 4.14Å; P885-Y888 HydrophobicContact CG-CG 4.17Å; P885-Y888 PolarHBondContact O-N 3.34Å; T886-Y888 VanDerWaalsContact C-N 3.3Å; T886-Y888 PolarHBondContact O-N 3.45Å |
| 889 | V | 92.3 | Very high | 85.4 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.8 | -173.2 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | C831 S832 F849 L870 V884 K891 | C831-V889 HydrophobicContact CB-CB 4.06Å; C831-V889 HydrophobicContact CB-CG2 4.07Å; S832-V889 CarbonylContact O-C 3.49Å; S832-V889 WeakPolarHBondContact O-CA 3.32Å; F849-V889 HydrophobicContact CZ-CG1 4.46Å; L870-V889 HydrophobicContact CD1-CG2 3.41Å; L870-V889 VanDerWaalsContact CD1-CG2 3.41Å; V884-V889 HydrophobicContact CG2-CG1 4.16Å; V889-K891 HydrophobicContact CG2-CG 4.35Å |
| 890 | Q | 92 | Very high | 85.8 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.4 | 168 | -179.4 | 173.8 | -4.5 | 0 | 0 | 109.5 | C831 S832 L834 | C831-Q890 CarbonylContact C-O 3.51Å; C831-Q890 WeakPolarHBondContact CA-O 3.45Å; C831-Q890 WeakPolarHBondContact CB-O 3.48Å; S832-Q890 PolarHBondContact N-O 2.98Å; S832-Q890 PolarHBondContact O-N 3.2Å; L834-Q890 HydrophobicContact CD1-CB 4.24Å; L834-Q890 HydrophobicContact CD2-CB 4.12Å; L834-Q890 HydrophobicContact CG-CB 4.22Å |
| 891 | K | 91.5 | Very high | 84.7 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.3 | -174.6 | -69 | 179.8 | -102.8 | -168.3 | 0 | 113.3 | C831 I857 L870 V889 F893 | C831-K891 HydrophobicContact CB-CG 4.32Å; I857-K891 HydrophobicContact CD1-CB 4.16Å; I857-K891 HydrophobicContact CD1-CD 4.42Å; I857-K891 HydrophobicContact CD1-CG 4Å; L870-K891 HydrophobicContact CD1-CD 3.62Å; L870-K891 HydrophobicContact CD1-CG 3.98Å; L870-K891 HydrophobicContact CD2-CD 4.01Å; L870-K891 HydrophobicContact CG-CD 4.44Å; V889-K891 HydrophobicContact CG2-CG 4.35Å; K891-F893 HydrophobicContact CB-CE2 4.21Å; K891-F893 HydrophobicContact CD-CE2 4.29Å; K891-F893 HydrophobicContact CD-CZ 4.17Å |
| 892 | N | 89.3 | Confident | 82.7 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.4 | 165.5 | -59.6 | -42.4 | 0 | 0 | 0 | 108.9 | G829 D830 | G829-N892 CarbonylContact C-O 3.5Å; G829-N892 WeakPolarHBondContact CA-O 3.46Å; D830-N892 PolarHBondContact N-O 2.93Å; D830-N892 PolarHBondContact O-N 2.86Å; D830-N892 PolarHBondContact OD2-ND2 3.26Å |
| 893 | F | 88.4 | Confident | 80.7 | Confident | 133 Ų | 133 | 77.7 Ų | 77.7 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.8 | 176.4 | -72.1 | -77.6 | 0 | 0 | 0 | 111.2 | I828 I857 K891 | I828-F893 HydrophobicContact CD1-CE1 4.11Å; I828-F893 HydrophobicContact CG1-CD1 4.48Å; I828-F893 HydrophobicContact CG1-CE1 4.39Å; I857-F893 HydrophobicContact CD1-CD1 4.49Å; I857-F893 HydrophobicContact CD1-CE1 4.06Å; I857-F893 HydrophobicContact CD1-CZ 4.3Å; I857-F893 HydrophobicContact CG2-CE1 4.46Å; K891-F893 HydrophobicContact CB-CE2 4.21Å; K891-F893 HydrophobicContact CD-CE2 4.29Å; K891-F893 HydrophobicContact CD-CZ 4.17Å |
| 894 | Y | 86.6 | Confident | 78.2 | Confident | 72 Ų | 72 | 84 Ų | 84 | 28% | 0.282 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 150.9 | 179 | -59.3 | -34.8 | 0 | 0 | 0 | 112.1 | A827 I828 D830 Q896 V898 | A827-Y894 HydrophobicContact CB-CE2 4.24Å; I828-Y894 PolarHBondContact O-N 3.11Å; D830-Y894 WeakPolarHBondContact OD1-CE1 3.36Å; D830-Y894 PolarHBondContact OD1-OH 3.47Å; Y894-Q896 VanDerWaalsContact C-N 3.26Å; Y894-Q896 WeakPolarHBondContact CB-O 3.28Å; Y894-Q896 PolarHBondContact O-N 2.91Å; Y894-V898 HydrophobicContact CD2-CB 4.25Å; Y894-V898 HydrophobicContact CD2-CG2 3.67Å; Y894-V898 HydrophobicContact CE2-CB 4.23Å; Y894-V898 HydrophobicContact CE2-CG2 3.9Å; Y894-V898 HydrophobicContact CG-CG2 4.39Å |
| 895 | F | 71.6 | Confident | 76.2 | Confident | 215 Ų | 215 | 86.6 Ų | 86.6 | 94% | 0.943 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -22.4 | 175.7 | -134.6 | -82.1 | 0 | 0 | 0 | 112.6 | ||
| 896 | Q | 71.3 | Confident | 73.8 | Confident | 159 Ų | 159 | 89.8 Ų | 89.8 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.6 | 170 | -68.9 | -175 | -20.6 | 0 | 0 | 108.9 | Y894 | Y894-Q896 VanDerWaalsContact C-N 3.26Å; Y894-Q896 WeakPolarHBondContact CB-O 3.28Å; Y894-Q896 PolarHBondContact O-N 2.91Å |
| 897 | P | 76.2 | Confident | 71.5 | Confident | 69 Ų | 69 | 95.4 Ų | 95.4 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 145.6 | 176.8 | -18.3 | 31.5 | 0 | 0 | 0 | 112.2 | V826 A827 | V826-P897 HydrophobicContact CG1-CB 3.56Å; A827-P897 CarbonylContact O-C 3.57Å; A827-P897 WeakPolarHBondContact O-CA 3.36Å |
| 898 | V | 80.6 | Confident | 68.9 | Low | 67 Ų | 67 | 95.6 Ų | 95.6 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.3 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | A827 Y894 | A827-V898 PolarHBondContact N-O 3.4Å; A827-V898 PolarHBondContact O-N 3.47Å; Y894-V898 HydrophobicContact CD2-CB 4.25Å; Y894-V898 HydrophobicContact CD2-CG2 3.67Å; Y894-V898 HydrophobicContact CE2-CB 4.23Å; Y894-V898 HydrophobicContact CE2-CG2 3.9Å; Y894-V898 HydrophobicContact CG-CG2 4.39Å |
| 899 | L | 81.7 | Confident | 65.9 | Low | 98 Ų | 98 | 98.4 Ų | 98.4 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.1 | 170.1 | -73.3 | 164.5 | 0 | 0 | 0 | 109 | Q824 V826 | Q824-L899 HydrophobicContact CB-CD2 3.95Å; V826-L899 HydrophobicContact CG2-CD2 3.94Å |
| 900 | L | 76.8 | Confident | 62.8 | Low | 11 Ų | 11 | 104.1 Ų | 104.1 | 6% | 0.058 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 136.4 | 177 | -64.4 | 179.3 | 0 | 0 | 0 | 110.4 | I825 A827 Y856 L858 | I825-L900 HydrophobicContact CG2-CD1 4.31Å; I825-L900 PolarHBondContact O-N 3.36Å; A827-L900 HydrophobicContact CB-CD1 4.21Å; A827-L900 HydrophobicContact CB-CD2 4.27Å; A827-L900 HydrophobicContact CB-CG 4.08Å; Y856-L900 HydrophobicContact CD1-CD2 4.18Å; Y856-L900 HydrophobicContact CD2-CD1 3.7Å; Y856-L900 HydrophobicContact CD2-CD2 3.91Å; Y856-L900 HydrophobicContact CD2-CG 4.5Å; Y856-L900 HydrophobicContact CE1-CD2 4.07Å; Y856-L900 HydrophobicContact CE2-CD1 4.3Å; Y856-L900 HydrophobicContact CE2-CD2 3.78Å; Y856-L900 HydrophobicContact CG-CD1 3.97Å; Y856-L900 HydrophobicContact CG-CD2 4.11Å; L858-L900 HydrophobicContact CD2-CD1 4.48Å |
| 901 | P | 56.7 | Low | 59.8 | Low | 102 Ų | 102 | 103.5 Ų | 103.5 | 66% | 0.662 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 153.2 | 172.1 | 29.3 | -34.3 | 0 | 0 | 0 | 110.4 | S903 Y905 | P901-S903 PolarHBondContact O-N 2.72Å; P901-Y905 PolarHBondContact O-OH 3.42Å; P901-Y905 VanDerWaalsContact O-OH 3.06Å |
| 902 | K | 46.9 | Very low | 56.8 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 122.1 | 177.6 | -65.1 | 175.2 | -172.2 | 158.5 | 0 | 110.9 | E822 | E822-K902 VanDerWaalsContact OE1-CE 3.3Å; E822-K902 WeakPolarHBondContact OE1-CE 3.17Å; E822-K902 IonicContact OE1-NZ 3.92Å; E822-K902 PolarHBondContact OE1-NZ 3.03Å; E822-K902 IonicContact OE2-NZ 3.17Å; E822-K902 PolarHBondContact OE2-NZ 2.87Å |
| 903 | S | 46.9 | Very low | 54 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | trans | -113.1 | -177.3 | 143 | -13.2 | 0 | 0 | 0 | 0 | 107.4 | Q879 P901 Y905 | Q879-S903 VanDerWaalsContact CD-OG 3.26Å; Q879-S903 PolarHBondContact OE1-OG 3.21Å; P901-S903 PolarHBondContact O-N 2.72Å; S903-Y905 VanDerWaalsContact O-CD2 3.23Å; S903-Y905 WeakPolarHBondContact O-CD2 3.38Å; S903-Y905 PolarHBondContact O-N 2.76Å; S903-Y905 VanDerWaalsContact O-N 3.11Å | ||
| 904 | E | 37.1 | Very low | 51.1 | Low | 183 Ų | 183 | 109.2 Ų | 109.2 | 86% | 0.855 | 58% | 0.583 | S | S | * | * | trans | -70.6 | 105.1 | 176.2 | -67.5 | 171.7 | 123.2 | 0 | 0 | 110.4 | V906 | E904-V906 PolarHBondContact O-N 2.86Š| ||
| 905 | Y | 48.6 | Very low | 48.6 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 22% | 0.216 | 61% | 0.608 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.1 | 174.3 | -66.8 | -84.8 | 0 | 0 | 0 | 109.6 | I825 Q879 I881 P901 S903 Q907 | I825-Y905 HydrophobicContact CD1-CD1 3.75Å; I825-Y905 HydrophobicContact CD1-CD2 3.91Å; I825-Y905 HydrophobicContact CD1-CE1 3.64Å; I825-Y905 HydrophobicContact CD1-CE2 3.83Å; I825-Y905 HydrophobicContact CD1-CG 3.89Å; Q879-Y905 HydrophobicContact CB-CD1 3.56Å; Q879-Y905 HydrophobicContact CB-CE1 3.76Å; Q879-Y905 HydrophobicContact CB-CG 4.29Å; Q879-Y905 HydrophobicContact CG-CD1 4.45Å; Q879-Y905 HydrophobicContact CG-CE1 4.18Å; Q879-Y905 PolarHBondContact NE2-OH 3.12Å; Q879-Y905 WeakPolarHBondContact O-CA 3.31Å; Q879-Y905 VanDerWaalsContact OE1-CZ 3.3Å; I881-Y905 HydrophobicContact CD1-CD1 3.63Å; I881-Y905 HydrophobicContact CD1-CE1 4.43Å; I881-Y905 HydrophobicContact CD1-CG 4.06Å; I881-Y905 HydrophobicContact CG1-CD1 3.89Å; P901-Y905 PolarHBondContact O-OH 3.42Å; P901-Y905 VanDerWaalsContact O-OH 3.06Å; S903-Y905 VanDerWaalsContact O-CD2 3.23Å; S903-Y905 WeakPolarHBondContact O-CD2 3.38Å; S903-Y905 PolarHBondContact O-N 2.76Å; S903-Y905 VanDerWaalsContact O-N 3.11Å; Y905-Q907 PolarHBondContact O-N 3.32Å; Y905-Q907 VanDerWaalsContact O-N 3.15Å |
| 906 | V | 42.3 | Very low | 46.6 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 98.7 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | Q879 E904 | Q879-V906 PolarHBondContact O-N 3.14Å; E904-V906 PolarHBondContact O-N 2.86Å |
| 907 | Q | 41 | Very low | 44.8 | Very low | 144 Ų | 144 | 111.1 Ų | 111.1 | 67% | 0.673 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.1 | 173.8 | -167.7 | 169.4 | 18.1 | 0 | 0 | 108.7 | Y905 Q909 | Y905-Q907 PolarHBondContact O-N 3.32Å; Y905-Q907 VanDerWaalsContact O-N 3.15Å; Q907-Q909 PolarHBondContact O-N 2.85Å; Q907-Q909 VanDerWaalsContact O-N 3.13Å |
| 908 | L | 37.5 | Very low | 42.6 | Very low | 85 Ų | 85 | 114 Ų | 114 | 45% | 0.445 | 63% | 0.626 | S | S | . | * | trans | -65.5 | 111.9 | -179.5 | -67.4 | 163.5 | 0 | 0 | 0 | 109.3 | S844 L847 | S844-L908 WeakPolarHBondContact O-CB 3.48Å; S844-L908 VanDerWaalsContact O-CD1 3.27Å; S844-L908 WeakPolarHBondContact O-CD1 3.34Å; L847-L908 HydrophobicContact CD2-CD1 4.31Å | ||
| 909 | Q | 29.3 | Very low | 40.2 | Very low | 149 Ų | 149 | 114.8 Ų | 114.8 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | trans | -103.7 | 136.7 | 175.2 | -69.8 | -173.7 | -4.5 | 0 | 0 | 109.7 | Q907 S911 | Q907-Q909 PolarHBondContact O-N 2.85Å; Q907-Q909 VanDerWaalsContact O-N 3.13Å; Q909-S911 PolarHBondContact O-N 3.18Å; Q909-S911 PolarHBondContact O-OG 3.24Å | ||
| 910 | D | 26.8 | Very low | 37.8 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | trans | -57.9 | 107.8 | 177.1 | -65 | -52.8 | 0 | 0 | 0 | 110.7 | S844 D912 | S844-D910 WeakPolarHBondContact CB-OD1 3.34Å; S844-D910 PolarHBondContact OG-OD1 3.25Å; D910-D912 PolarHBondContact O-N 3.45Å | ||
| 911 | S | 29.7 | Very low | 35.6 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | -100.9 | 80.4 | -171.8 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | Q909 S913 | Q909-S911 PolarHBondContact O-N 3.18Å; Q909-S911 PolarHBondContact O-OG 3.24Å; S911-S913 VanDerWaalsContact O-CB 3.26Å; S911-S913 WeakPolarHBondContact O-CB 3.26Å; S911-S913 PolarHBondContact O-N 3.15Å; S911-S913 PolarHBondContact O-OG 3.2Å | ||
| 912 | D | 27.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 93% | 0.93 | 69% | 0.693 | S | S | * | * | trans | -52.5 | 105.7 | 170.1 | -88.1 | -32.8 | 0 | 0 | 0 | 109.7 | D910 | D910-D912 PolarHBondContact O-N 3.45Š| ||
| 913 | S | 30.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -129.3 | 48.2 | -162.4 | 42.2 | 0 | 0 | 0 | 0 | 113.7 | S911 S915 | S911-S913 VanDerWaalsContact O-CB 3.26Å; S911-S913 WeakPolarHBondContact O-CB 3.26Å; S911-S913 PolarHBondContact O-N 3.15Å; S911-S913 PolarHBondContact O-OG 3.2Å; S913-S915 PolarHBondContact O-N 3.35Å | ||
| 914 | S | 28.5 | Very low | 33.4 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -74.3 | 85.1 | 162.3 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 915 | S | 34.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -152.2 | 71.6 | 172.3 | -82.7 | 0 | 0 | 0 | 0 | 112.7 | S913 R917 | S913-S915 PolarHBondContact O-N 3.35Å; S915-R917 PolarHBondContact O-N 2.64Å | ||
| 916 | T | 29.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -70.2 | 119.2 | 174.7 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 917 | R | 34.3 | Very low | 32.4 | Very low | 235 Ų | 235 | 133.4 Ų | 133.4 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -136.4 | 107.4 | 163.1 | -76.2 | -169.8 | 67.5 | -178.6 | 0.3 | 112.9 | S915 | S915-R917 PolarHBondContact O-N 2.64Š| ||
| 918 | T | 29 | Very low | 32.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -58.5 | 156.6 | 151.3 | 30.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 919 | A | 30.8 | Very low | 32 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | cis | -153.9 | -157.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 920 | T | 30.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -159.2 | 163.8 | 19.8 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 921 | S | 30.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 73.5 | 147.6 | 162.7 | -140 | 0 | 0 | 0 | 0 | 116 | ||||
| 922 | T | 33.9 | Very low | 32.8 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | cis | -146.2 | 161.2 | 3.7 | -29.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 923 | K | 34.7 | Very low | 33.2 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -100.6 | 156.7 | 179.9 | -117.3 | 173.1 | -174.2 | 172.2 | 0 | 112.2 | ||||
| 924 | P | 35.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -140.5 | 154.3 | 81.3 | 31.8 | -13.3 | 0 | 0 | 0 | 114.5 | |||||
| 925 | T | 33.7 | Very low | 33.5 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 63% | 0.632 | 79% | 0.786 | S | S | * | * | cis | 96.1 | 108.6 | 32.6 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 926 | L | 36.2 | Very low | 33.3 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -163.9 | 109.7 | 151.4 | -96.8 | 167.7 | 0 | 0 | 0 | 108.6 | ||||
| 927 | K | 36.5 | Very low | 33.6 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | 62.8 | 129.4 | 104.5 | -69.2 | -173.5 | -161.9 | 170.4 | 0 | 114.6 | |||||
| 928 | K | 37.6 | Very low | 33.5 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | cis | -153.5 | 140.7 | 25.1 | -104.7 | 167 | 179.9 | -179.2 | 0 | 109.4 | ||||
| 929 | S | 34.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | 76.8 | 140 | 77.5 | 96.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 930 | V | 36 | Very low | 34.2 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -169.7 | 166 | 5.5 | 85.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 931 | N | 35 | Very low | 34.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 63.3 | 135.9 | 167.7 | -62.4 | -6.9 | 0 | 0 | 0 | 118.9 | ||||
| 932 | T | 30.3 | Very low | 34.4 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | 91.1 | 108.5 | 13.4 | -47.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 933 | A | 35.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -156.5 | 149.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 934 | Q | 30 | Very low | 34.2 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -113 | 150.1 | -178.6 | -62.2 | 169.3 | -39.5 | 0 | 0 | 111.3 | ||||
| 935 | T | 35.6 | Very low | 34 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | trans | -158.1 | 149.5 | 141.9 | 11.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 936 | S | 30.7 | Very low | 33.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -71.7 | 145.2 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 937 | A | 34.7 | Very low | 33.7 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | -171.1 | 127.7 | 125.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 938 | R | 33.4 | Very low | 33.5 | Very low | 241 Ų | 241 | 137.4 Ų | 137.4 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 18 | 134.9 | 150.7 | -72 | 178.8 | 169 | 167.4 | -4.1 | 122.6 | ||||
| 939 | S | 31.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -61.2 | 162.5 | 153.2 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | V941 | S939-V941 PolarHBondContact OG-N 3.3Š| ||
| 940 | P | 40.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | -133.3 | 147 | 111.5 | 37.8 | -30.6 | 0 | 0 | 0 | 115 | |||||
| 941 | V | 31.5 | Very low | 33 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -73.5 | 141.4 | 156.2 | 174.1 | 0 | 0 | 0 | 0 | 108.3 | S939 | S939-V941 PolarHBondContact OG-N 3.3Š| ||
| 942 | N | 35.2 | Very low | 32.8 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -128.3 | 99.7 | 166.1 | -95.9 | -21.2 | 0 | 0 | 0 | 110.3 | ||||
| 943 | S | 29.7 | Very low | 33 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 146.5 | 156.2 | 52.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 944 | V | 34.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -121.7 | 132.8 | 166.7 | -178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 945 | H | 31.1 | Very low | 33 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -127.5 | 168.6 | 178.7 | -108.8 | 46.4 | 0 | 0 | 0 | 108.9 | ||||
| 946 | S | 31.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 76.1 | 152.7 | 178 | 89.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 947 | N | 33.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | cis | -138.6 | 172.8 | 16.1 | -126.2 | -37.4 | 0 | 0 | 0 | 114.9 | ||||
| 948 | K | 30.9 | Very low | 32.8 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -93.4 | 142.6 | -172.1 | -57.5 | 170 | -179.9 | 173 | 0 | 114.2 | ||||
| 949 | S | 34.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -161 | 122.7 | 131.6 | 46 | 0 | 0 | 0 | 0 | 108 | ||||
| 950 | N | 30.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 55.4 | 92.6 | 66 | -77 | 8.8 | 0 | 0 | 0 | 114.1 | |||||
| 951 | Y | 33.1 | Very low | 32.5 | Very low | 239 Ų | 239 | 144.1 Ų | 144.1 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | -141.8 | 139.5 | 132.2 | -114 | -78.9 | 0 | 0 | 0 | 110.2 | ||||
| 952 | S | 30.8 | Very low | 32.4 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -115.8 | 138.5 | 175.3 | -175 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 953 | G | 34.7 | Very low | 32.3 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -139.6 | 74.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 954 | T | 32.6 | Very low | 32.5 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 168.2 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 955 | L | 33.8 | Very low | 32.2 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 98.2 | 137.2 | 172 | -52.1 | 170.3 | 0 | 0 | 0 | 114.5 | ||||
| 956 | M | 32.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | cis | -162.6 | 158.6 | -19.4 | -125.3 | -168.7 | -168.8 | 0 | 0 | 112.3 | ||||
| 957 | M | 31.2 | Very low | 32.4 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 66% | 0.655 | 78% | 0.78 | S | S | * | * | trans | 51.9 | 123.8 | 147.6 | -65.1 | -61.8 | 178.1 | 0 | 0 | 123.2 | ||||
| 958 | N | 32.9 | Very low | 32.5 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 108.8 | 107.3 | 146.5 | -62 | -43.6 | 0 | 0 | 0 | 116 | ||||
| 959 | R | 33.3 | Very low | 32.5 | Very low | 205 Ų | 205 | 148.5 Ų | 148.5 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | 85.2 | 116 | 51.8 | -77.2 | -176.1 | 164.1 | -178.9 | -3 | 113.5 | |||||
| 960 | N | 31.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 66 | 117.6 | 151 | -50.9 | -11.8 | 0 | 0 | 0 | 117.5 | ||||
| 961 | F | 33.1 | Very low | 32.6 | Very low | 212 Ų | 212 | 150.2 Ų | 150.2 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | -150.6 | 166.2 | 93.2 | -120.7 | -87 | 0 | 0 | 0 | 111.7 | |||||
| 962 | R | 30.4 | Very low | 32.7 | Very low | 240 Ų | 240 | 142.2 Ų | 142.2 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -137 | 136.8 | -167.3 | -174.7 | -172.5 | -168.1 | -134.4 | 8.7 | 110.5 | ||||
| 963 | G | 32.3 | Very low | 33 | Very low | 63 Ų | 63 | 144.1 Ų | 144.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 107.5 | 161.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 964 | T | 34.1 | Very low | 33 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | cis | -164.9 | 149.5 | -8.1 | 6.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 965 | S | 29.7 | Very low | 33.2 | Very low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -69.8 | 149.4 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | Y967 | S965-Y967 PolarHBondContact OG-N 2.86Š| ||
| 966 | P | 36.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -116.5 | 93.3 | 151.8 | 35 | -24.9 | 0 | 0 | 0 | 111.6 | V968 | P966-V968 HydrophobicContact CB-CG2 4.21Å; P966-V968 PolarHBondContact O-N 3.14Å | ||
| 967 | Y | 28.8 | Very low | 33.6 | Very low | 218 Ų | 218 | 147.6 Ų | 147.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 117.8 | 149.1 | -126.7 | -83.8 | 0 | 0 | 0 | 106.9 | S965 | S965-Y967 PolarHBondContact OG-N 2.86Š| ||
| 968 | V | 36.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | trans | -122.2 | 106.3 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | P966 L970 | P966-V968 HydrophobicContact CB-CG2 4.21Å; P966-V968 PolarHBondContact O-N 3.14Å; V968-L970 HydrophobicContact CG1-CD1 4.4Å; V968-L970 HydrophobicContact CG1-CG 4.01Å | ||
| 969 | R | 29.7 | Very low | 34 | Very low | 231 Ų | 231 | 154 Ų | 154 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -74.6 | 130.6 | 152.3 | -71 | 178.8 | 176.5 | 171.2 | -1.7 | 107.5 | ||||
| 970 | L | 34.7 | Very low | 34.1 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -126.8 | 133.8 | 149.6 | -80.9 | 175.5 | 0 | 0 | 0 | 108.7 | V968 | V968-L970 HydrophobicContact CG1-CD1 4.4Å; V968-L970 HydrophobicContact CG1-CG 4.01Å | ||
| 971 | S | 33.3 | Very low | 34.2 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -118.6 | 136.8 | -172.4 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 972 | G | 33.3 | Very low | 34.2 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 134.2 | 144.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 973 | V | 37.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | cis | -139.1 | 157.3 | -4.2 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 974 | S | 34.8 | Very low | 34.6 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 175.9 | 178.8 | -164.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 975 | R | 36.9 | Very low | 34.6 | Very low | 219 Ų | 219 | 149 Ų | 149 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 94 | 138.5 | 175 | -58.8 | -172.2 | 173.1 | 137.1 | 0.6 | 116.5 | ||||
| 976 | D | 37.8 | Very low | 35 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 67% | 0.668 | 82% | 0.818 | S | S | * | * | cis | -154.7 | 156.6 | -12.9 | -99.3 | -29.2 | 0 | 0 | 0 | 111.2 | ||||
| 977 | T | 37 | Very low | 34.9 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 68% | 0.681 | 83% | 0.827 | S | S | * | * | trans | 13.8 | 128.1 | 160.5 | 59.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 978 | D | 35.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | 49.1 | 112.8 | 128.5 | -51.2 | -16 | 0 | 0 | 0 | 122.2 | |||||
| 979 | L | 37.3 | Very low | 35.3 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 100% | 1.298 | 84% | 0.841 | S | S | * | * | trans | -157.7 | 0 | 136.5 | -121.1 | 171 | 0 | 0 | 0 | 111.7 |
Retrieved 979 of 979 residues in 1409.6 ms
(Link to these results)