| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 61.6 | Low | 182 Ų | 182 | 81 Ų | 81 | 90% | 0.897 | 42% | 0.417 | S | S | * | . | 0 | 145.1 | 0 | -61.6 | 177.8 | -175.9 | 0 | 0 | 108 | P13 | M1-P13 WeakPolarHBondContact CE-O 3.32Š| |||
| 2 | E | 38 | Very low | 62.7 | Low | 147 Ų | 147 | 80.3 Ų | 80.3 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | trans | -71.9 | 146.8 | 173.8 | -60.2 | -166.5 | 88.6 | 0 | 0 | 111.7 | Q4 | E2-Q4 HydrophobicContact CB-CG 4Å; E2-Q4 VanDerWaalsContact CD-NE2 3.32Å; E2-Q4 PolarHBondContact O-N 3.37Å; E2-Q4 VanDerWaalsContact O-N 3.1Å; E2-Q4 PolarHBondContact OE1-NE2 2.78Å; E2-Q4 PolarHBondContact OE2-NE2 3.33Å | ||
| 3 | P | 48.7 | Very low | 63.4 | Low | 101 Ų | 101 | 83.2 Ų | 83.2 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -79.1 | 12.4 | -173.4 | 33.2 | -37.7 | 0 | 0 | 0 | 114.7 | I5 V6 | P3-I5 PolarHBondContact O-N 2.77Å; P3-V6 WeakPolarHBondContact O-CB 3.38Å; P3-V6 VanDerWaalsContact O-CG2 3.22Å; P3-V6 WeakPolarHBondContact O-CG2 3.21Å |
| 4 | Q | 50.6 | Low | 64.2 | Low | 70 Ų | 70 | 88.4 Ų | 88.4 | 33% | 0.327 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -20.5 | -154 | -49.7 | -167.1 | 19.1 | 0 | 0 | 116.4 | E2 Q25 | E2-Q4 HydrophobicContact CB-CG 4Å; E2-Q4 VanDerWaalsContact CD-NE2 3.32Å; E2-Q4 PolarHBondContact O-N 3.37Å; E2-Q4 VanDerWaalsContact O-N 3.1Å; E2-Q4 PolarHBondContact OE1-NE2 2.78Å; E2-Q4 PolarHBondContact OE2-NE2 3.33Å; Q4-Q25 PolarHBondContact O-NE2 3.35Å |
| 5 | I | 57.3 | Low | 64.8 | Low | 28 Ų | 28 | 85 Ų | 85 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.7 | -178.1 | -52.9 | 174.7 | 0 | 0 | 0 | 112.3 | P3 P7 L8 F11 P17 L21 | P3-I5 PolarHBondContact O-N 2.77Å; I5-P7 VanDerWaalsContact C-N 3.34Å; I5-P7 WeakPolarHBondContact O-CD 3.27Å; I5-P7 VanDerWaalsContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 2.77Å; I5-F11 HydrophobicContact CB-CE2 4.3Å; I5-F11 HydrophobicContact CG2-CE2 3.88Å; I5-P17 HydrophobicContact CD1-CB 3.75Å; I5-P17 HydrophobicContact CD1-CG 3.98Å; I5-L21 HydrophobicContact CG2-CD1 4.46Å |
| 6 | V | 58.9 | Low | 65.5 | Low | 91 Ų | 91 | 85.1 Ų | 85.1 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31.5 | -174.1 | 176.3 | 0 | 0 | 0 | 0 | 115.9 | P3 L8 | P3-V6 WeakPolarHBondContact O-CB 3.38Å; P3-V6 VanDerWaalsContact O-CG2 3.22Å; P3-V6 WeakPolarHBondContact O-CG2 3.21Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.49Å |
| 7 | P | 70.1 | Confident | 65.9 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.3 | 177.7 | -26.9 | 36.7 | 0 | 0 | 0 | 114.4 | I5 T68 T107 V110 | I5-P7 VanDerWaalsContact C-N 3.34Å; I5-P7 WeakPolarHBondContact O-CD 3.27Å; I5-P7 VanDerWaalsContact O-N 3.12Å; P7-T68 HydrophobicContact CB-CG2 3.79Å; P7-T107 WeakPolarHBondContact O-CG2 3.41Å; P7-T107 PolarHBondContact O-OG1 2.92Å; P7-V110 WeakPolarHBondContact O-CG2 3.38Å |
| 8 | L | 80.3 | Confident | 66.7 | Low | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.016 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -54.7 | -179.7 | -76.6 | 179.2 | 0 | 0 | 0 | 111.9 | I5 V6 L21 L24 Y64 L67 T68 T107 V110 | I5-L8 PolarHBondContact O-N 2.77Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.49Å; L8-L21 HydrophobicContact CD1-CD2 4.39Å; L8-L24 HydrophobicContact CD1-CD2 4.09Å; L8-Y64 HydrophobicContact CD1-CD2 3.76Å; L8-Y64 HydrophobicContact CD1-CE2 3.59Å; L8-Y64 HydrophobicContact CG-CD2 4.29Å; L8-Y64 HydrophobicContact CG-CE2 3.91Å; L8-L67 HydrophobicContact CD2-CB 4.06Å; L8-T68 HydrophobicContact CD2-CG2 3.57Å; L8-T68 HydrophobicContact CG-CG2 3.81Å; L8-T107 PolarHBondContact O-N 2.89Å; L8-T107 VanDerWaalsContact O-N 3.11Å; L8-V110 HydrophobicContact CD2-CG1 4.28Å; L8-V110 HydrophobicContact CD2-CG2 4.22Å |
| 9 | L | 84.2 | Confident | 67.5 | Low | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.016 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -129.3 | 141.5 | -167.2 | -55.8 | -175.3 | 0 | 0 | 0 | 112.2 | F11 L21 T102 K105 M106 | L9-F11 HydrophobicContact CB-CD2 4.38Å; L9-F11 HydrophobicContact CB-CE1 4.29Å; L9-F11 HydrophobicContact CB-CE2 3.87Å; L9-F11 HydrophobicContact CB-CZ 3.84Å; L9-F11 HydrophobicContact CD1-CE1 4.1Å; L9-F11 HydrophobicContact CD1-CE2 4.35Å; L9-F11 HydrophobicContact CD1-CZ 3.61Å; L9-F11 HydrophobicContact CG-CZ 4.32Å; L9-L21 HydrophobicContact CD1-CD1 3.42Å; L9-L21 VanDerWaalsContact CD1-CD1 3.42Å; L9-L21 HydrophobicContact CG-CD1 4.39Å; L9-T102 HydrophobicContact CD1-CG2 3.8Å; L9-K105 CarbonylContact C-O 3.51Å; L9-K105 WeakPolarHBondContact CA-O 3.4Å; L9-K105 HydrophobicContact CB-CB 4.32Å; L9-K105 HydrophobicContact CD2-CB 4.33Å; L9-M106 HydrophobicContact CD2-CB 4.27Å; L9-M106 HydrophobicContact CD2-CG 3.68Å |
| 10 | K | 79.7 | Confident | 68.3 | Low | 145 Ų | 145 | 80 Ų | 80 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | trans | -77.8 | 128.6 | 164 | -60.4 | -173.2 | 177.8 | -173.5 | 0 | 109.2 | K105 T107 | K10-K105 PolarHBondContact N-O 3.29Å; K10-T107 HydrophobicContact CG-CG2 4.18Å | ||
| 11 | F | 73.9 | Confident | 69.1 | Low | 59 Ų | 59 | 76.2 Ų | 76.2 | 26% | 0.259 | 40% | 0.404 | S | S | . | . | trans | -126.3 | 140 | 174.5 | -68.1 | -58.8 | 0 | 0 | 0 | 109.6 | I5 L9 D15 P17 L21 K105 | I5-F11 HydrophobicContact CB-CE2 4.3Å; I5-F11 HydrophobicContact CG2-CE2 3.88Å; L9-F11 HydrophobicContact CB-CD2 4.38Å; L9-F11 HydrophobicContact CB-CE1 4.29Å; L9-F11 HydrophobicContact CB-CE2 3.87Å; L9-F11 HydrophobicContact CB-CZ 3.84Å; L9-F11 HydrophobicContact CD1-CE1 4.1Å; L9-F11 HydrophobicContact CD1-CE2 4.35Å; L9-F11 HydrophobicContact CD1-CZ 3.61Å; L9-F11 HydrophobicContact CG-CZ 4.32Å; F11-D15 HydrophobicContact CB-CB 3.95Å; F11-D15 HydrophobicContact CD1-CB 3.62Å; F11-D15 HydrophobicContact CG-CB 4.2Å; F11-P17 HydrophobicContact CE1-CB 4.43Å; F11-P17 HydrophobicContact CE2-CB 3.86Å; F11-P17 HydrophobicContact CZ-CB 3.66Å; F11-L21 HydrophobicContact CZ-CD1 4.44Å; F11-K105 HydrophobicContact CD1-CD 4.13Å; F11-K105 HydrophobicContact CE1-CD 4.04Å | ||
| 12 | T | 74.9 | Confident | 71.4 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | trans | -79.3 | 166 | 164.2 | 67.9 | 0 | 0 | 0 | 0 | 110 | L14 D15 | T12-L14 PolarHBondContact O-N 2.84Å; T12-L14 PolarHBondContact OG1-N 3.1Å; T12-D15 WeakPolarHBondContact CB-OD2 3.37Å; T12-D15 WeakPolarHBondContact CG2-OD2 3.2Å; T12-D15 PolarHBondContact N-OD2 3.44Å; T12-D15 PolarHBondContact O-N 3.23Å; T12-D15 VanDerWaalsContact OG1-CG 3.31Å; T12-D15 PolarHBondContact OG1-OD2 3.42Å | ||
| 13 | P | 71.6 | Confident | 73.6 | Confident | 118 Ų | 118 | 68.5 Ų | 68.5 | 77% | 0.766 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.4 | 173.7 | -25.3 | 36 | 0 | 0 | 0 | 115.1 | M1 | M1-P13 WeakPolarHBondContact CE-O 3.32Š|
| 14 | L | 75.4 | Confident | 75.4 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 82% | 0.817 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.1 | 178 | -59.9 | 173.6 | 0 | 0 | 0 | 113 | T12 | T12-L14 PolarHBondContact O-N 2.84Å; T12-L14 PolarHBondContact OG1-N 3.1Å |
| 15 | D | 72.8 | Confident | 77.1 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 116.7 | -173.3 | -75.9 | -63.1 | 0 | 0 | 0 | 112.7 | F11 T12 K105 | F11-D15 HydrophobicContact CB-CB 3.95Å; F11-D15 HydrophobicContact CD1-CB 3.62Å; F11-D15 HydrophobicContact CG-CB 4.2Å; T12-D15 WeakPolarHBondContact CB-OD2 3.37Å; T12-D15 WeakPolarHBondContact CG2-OD2 3.2Å; T12-D15 PolarHBondContact N-OD2 3.44Å; T12-D15 PolarHBondContact O-N 3.23Å; T12-D15 VanDerWaalsContact OG1-CG 3.31Å; T12-D15 PolarHBondContact OG1-OD2 3.42Å; D15-K105 VanDerWaalsContact CG-NZ 3.33Å; D15-K105 WeakPolarHBondContact OD1-CE 3.5Å; D15-K105 IonicContact OD1-NZ 3.5Å; D15-K105 PolarHBondContact OD1-NZ 3.32Å; D15-K105 IonicContact OD2-NZ 3.67Å |
| 16 | N | 76.7 | Confident | 78.5 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 133.8 | 165.3 | -74.3 | -53.4 | 0 | 0 | 0 | 110.9 | Y811 | N16-Y811 PolarHBondContact ND2-OH 3.38Å; N16-Y811 VanDerWaalsContact ND2-OH 3.14Å |
| 17 | P | 72.1 | Confident | 80.1 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 136.6 | 176.4 | 28.5 | -34 | 0 | 0 | 0 | 111.7 | I5 F11 K19 | I5-P17 HydrophobicContact CD1-CB 3.75Å; I5-P17 HydrophobicContact CD1-CG 3.98Å; F11-P17 HydrophobicContact CE1-CB 4.43Å; F11-P17 HydrophobicContact CE2-CB 3.86Å; F11-P17 HydrophobicContact CZ-CB 3.66Å; P17-K19 PolarHBondContact O-N 3.2Å |
| 18 | P | 79.6 | Confident | 81 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 24% | 0.24 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 128.5 | 173.3 | -28.8 | 34.9 | 0 | 0 | 0 | 112.8 | F20 L21 T102 | P18-F20 HydrophobicContact CB-CD1 3.73Å; P18-F20 HydrophobicContact CB-CE1 3.63Å; P18-F20 HydrophobicContact CG-CE1 4.45Å; P18-F20 PolarHBondContact O-N 2.9Å; P18-L21 HydrophobicContact CB-CD1 4.08Å; P18-L21 HydrophobicContact CB-CG 4.29Å; P18-L21 HydrophobicContact CG-CD1 4.11Å; P18-L21 WeakPolarHBondContact O-CB 3.24Å; P18-L21 PolarHBondContact O-N 3.46Å; P18-T102 HydrophobicContact CG-CG2 4.08Å |
| 19 | K | 82.4 | Confident | 81.4 | Confident | 127 Ų | 127 | 61.5 Ų | 61.5 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.6 | -172.4 | -66 | -166.3 | 174.7 | -165 | 0 | 114 | P17 L21 I22 P23 S818 | P17-K19 PolarHBondContact O-N 3.2Å; K19-L21 PolarHBondContact O-N 3.28Å; K19-I22 PolarHBondContact O-N 3.26Å; K19-P23 WeakPolarHBondContact O-CD 3.19Å; K19-S818 PolarHBondContact NZ-OG 2.94Å |
| 20 | F | 83.5 | Confident | 81.6 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.1 | -180 | 80.3 | -99.2 | 0 | 0 | 0 | 114 | P18 I22 P23 R97 L98 E101 T102 | P18-F20 HydrophobicContact CB-CD1 3.73Å; P18-F20 HydrophobicContact CB-CE1 3.63Å; P18-F20 HydrophobicContact CG-CE1 4.45Å; P18-F20 PolarHBondContact O-N 2.9Å; F20-I22 VanDerWaalsContact C-N 3.31Å; F20-P23 WeakPolarHBondContact O-CD 3.45Å; F20-R97 HydrophobicContact CD2-CG 4.41Å; F20-R97 VanDerWaalsContact CD2-NE 3.28Å; F20-R97 HydrophobicContact CE1-CG 4.33Å; F20-R97 HydrophobicContact CE2-CG 4.04Å; F20-R97 HydrophobicContact CZ-CG 4Å; F20-L98 HydrophobicContact CE2-CD2 3.89Å; F20-L98 HydrophobicContact CE2-CG 4.44Å; F20-L98 HydrophobicContact CZ-CD2 4.22Å; F20-E101 HydrophobicContact CE1-CB 4.04Å; F20-E101 HydrophobicContact CE1-CG 4.47Å; F20-E101 WeakPolarHBondContact CE1-OE2 3.49Å; F20-E101 HydrophobicContact CZ-CB 4.3Å; F20-T102 HydrophobicContact CE1-CG2 4.07Å; F20-T102 HydrophobicContact CZ-CG2 3.74Å |
| 21 | L | 83.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75 | -21.2 | 178.1 | -60.8 | 170.3 | 0 | 0 | 0 | 112.7 | I5 L8 L9 F11 P18 K19 L24 Q25 L98 | I5-L21 HydrophobicContact CG2-CD1 4.46Å; L8-L21 HydrophobicContact CD1-CD2 4.39Å; L9-L21 HydrophobicContact CD1-CD1 3.42Å; L9-L21 VanDerWaalsContact CD1-CD1 3.42Å; L9-L21 HydrophobicContact CG-CD1 4.39Å; F11-L21 HydrophobicContact CZ-CD1 4.44Å; P18-L21 HydrophobicContact CB-CD1 4.08Å; P18-L21 HydrophobicContact CB-CG 4.29Å; P18-L21 HydrophobicContact CG-CD1 4.11Å; P18-L21 WeakPolarHBondContact O-CB 3.24Å; P18-L21 PolarHBondContact O-N 3.46Å; K19-L21 PolarHBondContact O-N 3.28Å; L21-L24 HydrophobicContact CD2-CD2 4.25Å; L21-L24 PolarHBondContact O-N 2.81Å; L21-Q25 WeakPolarHBondContact O-CB 3.43Å; L21-Q25 PolarHBondContact O-N 2.72Å; L21-L98 HydrophobicContact CD2-CD2 3.8Å |
| 22 | I | 84.1 | Confident | 82.7 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -49.3 | -179.8 | -60.4 | 168.5 | 0 | 0 | 0 | 110.2 | K19 F20 L24 Q25 S26 | K19-I22 PolarHBondContact O-N 3.26Å; F20-I22 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.09Å; I22-Q25 PolarHBondContact O-N 2.96Å; I22-S26 WeakPolarHBondContact O-CB 3.47Å; I22-S26 PolarHBondContact O-N 3.31Å; I22-S26 PolarHBondContact O-OG 3.39Å |
| 23 | P | 85.4 | Confident | 83.3 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -49.9 | -53.8 | 165.9 | -30.6 | 35.1 | 0 | 0 | 0 | 113.6 | K19 F20 Q25 S26 A27 | K19-P23 WeakPolarHBondContact O-CD 3.19Å; F20-P23 WeakPolarHBondContact O-CD 3.45Å; P23-Q25 VanDerWaalsContact C-N 3.29Å; P23-Q25 PolarHBondContact O-N 2.84Å; P23-S26 WeakPolarHBondContact CA-OG 3.45Å; P23-S26 PolarHBondContact O-N 2.73Å; P23-S26 VanDerWaalsContact O-N 3.1Å; P23-S26 PolarHBondContact O-OG 3.09Å; P23-A27 WeakPolarHBondContact O-CB 3.38Å; P23-A27 PolarHBondContact O-N 3.48Å |
| 24 | L | 86.9 | Confident | 84 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -39.8 | -177.8 | -172.1 | 69.1 | 0 | 0 | 0 | 112.5 | L8 L21 I22 G28 A60 Y64 L98 | L8-L24 HydrophobicContact CD1-CD2 4.09Å; L21-L24 HydrophobicContact CD2-CD2 4.25Å; L21-L24 PolarHBondContact O-N 2.81Å; I22-L24 PolarHBondContact O-N 3.09Å; L24-G28 PolarHBondContact O-N 3.29Å; L24-G28 VanDerWaalsContact O-N 3.09Å; L24-A60 HydrophobicContact CD1-CB 4.04Å; L24-A60 WeakPolarHBondContact CD1-O 3.39Å; L24-Y64 HydrophobicContact CG-CD2 4.18Å; L24-L98 HydrophobicContact CD2-CD1 4.14Å; L24-L98 HydrophobicContact CD2-CD2 4.22Å |
| 25 | Q | 85.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.8 | -39.6 | 176.6 | -164.5 | -152.1 | 4.9 | 0 | 0 | 112.4 | Q4 L21 I22 P23 A27 G28 K29 Y64 | Q4-Q25 PolarHBondContact O-NE2 3.35Å; L21-Q25 WeakPolarHBondContact O-CB 3.43Å; L21-Q25 PolarHBondContact O-N 2.72Å; I22-Q25 PolarHBondContact O-N 2.96Å; P23-Q25 VanDerWaalsContact C-N 3.29Å; P23-Q25 PolarHBondContact O-N 2.84Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; Q25-G28 PolarHBondContact O-N 3.39Å; Q25-K29 PolarHBondContact O-N 2.74Å; Q25-Y64 HydrophobicContact CB-CD2 4.49Å; Q25-Y64 HydrophobicContact CB-CE2 4Å; Q25-Y64 HydrophobicContact CG-CE2 3.84Å |
| 26 | S | 88.1 | Confident | 84.8 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -36.7 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | I22 P23 K29 F30 | I22-S26 WeakPolarHBondContact O-CB 3.47Å; I22-S26 PolarHBondContact O-N 3.31Å; I22-S26 PolarHBondContact O-OG 3.39Å; P23-S26 WeakPolarHBondContact CA-OG 3.45Å; P23-S26 PolarHBondContact O-N 2.73Å; P23-S26 VanDerWaalsContact O-N 3.1Å; P23-S26 PolarHBondContact O-OG 3.09Å; S26-K29 WeakPolarHBondContact O-CB 3.47Å; S26-K29 PolarHBondContact O-N 2.94Å; S26-F30 PolarHBondContact O-N 3.35Å |
| 27 | A | 90.7 | Very high | 84.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P23 Q25 K29 F30 V31 A57 A60 G61 | P23-A27 WeakPolarHBondContact O-CB 3.38Å; P23-A27 PolarHBondContact O-N 3.48Å; Q25-A27 VanDerWaalsContact C-N 3.31Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.88Å; A27-F30 WeakPolarHBondContact O-CB 3.43Å; A27-F30 PolarHBondContact O-N 2.88Å; A27-V31 PolarHBondContact O-N 3.42Å; A27-A57 WeakPolarHBondContact CB-O 2.99Å; A27-A60 HydrophobicContact CB-CB 3.66Å; A27-G61 WeakPolarHBondContact O-CA 3.19Å |
| 28 | G | 89.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L24 Q25 K32 | L24-G28 PolarHBondContact O-N 3.29Å; L24-G28 VanDerWaalsContact O-N 3.09Å; Q25-G28 PolarHBondContact O-N 3.39Å; G28-K32 WeakPolarHBondContact O-CB 3.49Å; G28-K32 PolarHBondContact O-N 3.28Å; G28-K32 VanDerWaalsContact O-N 3.09Å |
| 29 | K | 88.7 | Confident | 84.9 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 173.2 | -68.3 | 174.4 | 178.4 | 177.8 | 0 | 112.2 | Q25 S26 A27 K32 K33 | Q25-K29 PolarHBondContact O-N 2.74Å; S26-K29 WeakPolarHBondContact O-CB 3.47Å; S26-K29 PolarHBondContact O-N 2.94Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.88Å; K29-K32 PolarHBondContact O-N 3.32Å; K29-K33 PolarHBondContact O-N 2.9Å |
| 30 | F | 89.8 | Confident | 84.9 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 31% | 0.311 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -51.6 | 176.1 | 163.7 | -108 | 0 | 0 | 0 | 111.7 | S26 A27 K32 K33 L34 A46 A57 L58 | S26-F30 PolarHBondContact O-N 3.35Å; A27-F30 WeakPolarHBondContact O-CB 3.43Å; A27-F30 PolarHBondContact O-N 2.88Å; F30-K32 VanDerWaalsContact C-N 3.3Å; F30-K32 PolarHBondContact O-N 3.45Å; F30-K33 PolarHBondContact O-N 3.38Å; F30-L34 HydrophobicContact CE1-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CD2 4.34Å; F30-L34 WeakPolarHBondContact O-CB 3.36Å; F30-L34 PolarHBondContact O-N 3.05Å; F30-A46 HydrophobicContact CZ-CB 4.18Å; F30-A57 HydrophobicContact CD1-CB 3.92Å; F30-A57 HydrophobicContact CE1-CB 4.06Å; F30-L58 HydrophobicContact CE1-CD1 4.49Å |
| 31 | V | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -33 | -179.8 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | A27 L34 R35 L58 L62 L65 | A27-V31 PolarHBondContact O-N 3.42Å; V31-L34 PolarHBondContact O-N 2.84Å; V31-R35 PolarHBondContact O-N 3.34Å; V31-L58 HydrophobicContact CG2-CD1 3.99Å; V31-L62 HydrophobicContact CG1-CD2 3.83Å; V31-L62 HydrophobicContact CG1-CG 4.07Å; V31-L65 HydrophobicContact CB-CD1 4.09Å; V31-L65 HydrophobicContact CG1-CD1 3.76Å |
| 32 | K | 86.8 | Confident | 84.9 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 173.5 | -166.4 | 155.4 | -167.1 | 152.3 | 0 | 111.8 | G28 K29 F30 L34 R35 E36 E69 | G28-K32 WeakPolarHBondContact O-CB 3.49Å; G28-K32 PolarHBondContact O-N 3.28Å; G28-K32 VanDerWaalsContact O-N 3.09Å; K29-K32 PolarHBondContact O-N 3.32Å; F30-K32 VanDerWaalsContact C-N 3.3Å; F30-K32 PolarHBondContact O-N 3.45Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 3.48Å; K32-R35 PolarHBondContact O-N 3Å; K32-E36 WeakPolarHBondContact O-CG 3.23Å; K32-E36 PolarHBondContact O-N 2.91Å; K32-E69 IonicContact NZ-OE1 3.93Å; K32-E69 PolarHBondContact NZ-OE1 2.98Å |
| 33 | K | 87.5 | Confident | 84.8 | Confident | 153 Ų | 153 | 61.3 Ų | 61.3 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 173.4 | -172 | -177.9 | 177.7 | -173.1 | 0 | 112.5 | K29 F30 E36 S37 | K29-K33 PolarHBondContact O-N 2.9Å; F30-K33 PolarHBondContact O-N 3.38Å; K33-E36 WeakPolarHBondContact O-CB 3.43Å; K33-E36 PolarHBondContact O-N 3.13Å; K33-S37 PolarHBondContact O-N 3.38Å; K33-S37 PolarHBondContact O-OG 3.08Å |
| 34 | L | 86.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.6 | -172.5 | 65.2 | 0 | 0 | 0 | 111.3 | F30 V31 K32 E36 S37 E38 V41 A46 L58 | F30-L34 HydrophobicContact CE1-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CD2 4.34Å; F30-L34 WeakPolarHBondContact O-CB 3.36Å; F30-L34 PolarHBondContact O-N 3.05Å; V31-L34 PolarHBondContact O-N 2.84Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 3.48Å; L34-E36 PolarHBondContact O-N 2.89Å; L34-S37 PolarHBondContact O-N 3.27Å; L34-S37 VanDerWaalsContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.79Å; L34-E38 WeakPolarHBondContact CD1-OE2 3.47Å; L34-E38 PolarHBondContact O-N 3.08Å; L34-V41 HydrophobicContact CD2-CG1 4.37Å; L34-A46 HydrophobicContact CD2-CB 4.09Å; L34-L58 HydrophobicContact CD2-CD1 3.56Å |
| 35 | R | 81.9 | Confident | 84.6 | Confident | 78 Ų | 78 | 64 Ų | 64 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -22.4 | 173.7 | -82.1 | -173.8 | 164.7 | -154.3 | -0.6 | 113.9 | V31 K32 V41 S75 F76 D79 | V31-R35 PolarHBondContact O-N 3.34Å; K32-R35 PolarHBondContact O-N 3Å; R35-V41 HydrophobicContact CG-CG2 3.32Å; R35-S75 PolarHBondContact NH2-OG 3.07Å; R35-F76 VanDerWaalsContact NH1-CE1 3.32Å; R35-D79 IonicContact CZ-OD2 2.73Å; R35-D79 IonicContact NE-OD2 3.72Å; R35-D79 IonicContact NH2-OD2 3.5Å; R35-D79 PolarHBondContact NH2-OD2 3.06Å |
| 36 | E | 82.9 | Confident | 84.4 | Confident | 148 Ų | 148 | 63.6 Ų | 63.6 | 69% | 0.692 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -75.5 | -27.1 | 173.4 | -67.9 | 162.2 | -175.1 | 0 | 0 | 112.3 | K32 K33 L34 | K32-E36 WeakPolarHBondContact O-CG 3.23Å; K32-E36 PolarHBondContact O-N 2.91Å; K33-E36 WeakPolarHBondContact O-CB 3.43Å; K33-E36 PolarHBondContact O-N 3.13Å; L34-E36 PolarHBondContact O-N 2.89Å |
| 37 | S | 80.2 | Confident | 84.4 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -98.4 | -35.9 | 176.5 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | K33 L34 | K33-S37 PolarHBondContact O-N 3.38Å; K33-S37 PolarHBondContact O-OG 3.08Å; L34-S37 PolarHBondContact O-N 3.27Å; L34-S37 VanDerWaalsContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.79Å |
| 38 | E | 78.8 | Confident | 84 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | trans | -131.9 | 96.9 | -172.8 | -63.8 | -173 | 144.8 | 0 | 0 | 108.9 | L34 N40 S44 Q45 | L34-E38 WeakPolarHBondContact CD1-OE2 3.47Å; L34-E38 PolarHBondContact O-N 3.08Å; E38-N40 PolarHBondContact O-N 2.95Å; E38-N40 VanDerWaalsContact O-N 3.17Å; E38-S44 WeakPolarHBondContact OE2-CA 3.49Å; E38-S44 WeakPolarHBondContact OE2-CB 3.31Å; E38-Q45 PolarHBondContact OE2-N 3.36Å | ||
| 39 | A | 73 | Confident | 83.4 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 81% | 0.81 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -63.2 | -25 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 40 | N | 81.9 | Confident | 82.8 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | trans | -105.8 | 106.2 | 170.2 | -175 | 9.6 | 0 | 0 | 0 | 110.8 | E38 V42 D43 S44 | E38-N40 PolarHBondContact O-N 2.95Å; E38-N40 VanDerWaalsContact O-N 3.17Å; N40-V42 PolarHBondContact O-N 3.49Å; N40-V42 WeakPolarHBondContact OD1-CB 3.49Å; N40-V42 PolarHBondContact OD1-N 3.09Å; N40-V42 VanDerWaalsContact OD1-N 3.1Å; N40-D43 HydrophobicContact CB-CB 4.28Å; N40-D43 PolarHBondContact ND2-OD2 2.9Å; N40-D43 PolarHBondContact O-N 3.2Å; N40-D43 VanDerWaalsContact O-N 3.13Å; N40-S44 PolarHBondContact O-N 3.46Å | ||
| 41 | V | 83.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -62.9 | -30.4 | 179.9 | -172 | 0 | 0 | 0 | 0 | 112.1 | L34 R35 D43 S44 L58 L62 | L34-V41 HydrophobicContact CD2-CG1 4.37Å; R35-V41 HydrophobicContact CG-CG2 3.32Å; V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 3.42Å; V41-S44 VanDerWaalsContact O-CB 3.26Å; V41-S44 WeakPolarHBondContact O-CB 3.48Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 PolarHBondContact O-OG 2.86Å; V41-L58 HydrophobicContact CG1-CD1 3.45Å; V41-L58 VanDerWaalsContact CG1-CD1 3.45Å; V41-L58 HydrophobicContact CG1-CD2 4.48Å; V41-L58 HydrophobicContact CG1-CG 4.24Å; V41-L62 HydrophobicContact CG1-CD1 4.3Å; V41-L62 HydrophobicContact CG1-CD2 4.31Å |
| 42 | V | 83.7 | Confident | 82.4 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -67.2 | -31.8 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | N40 N47 L82 T83 | N40-V42 PolarHBondContact O-N 3.49Å; N40-V42 WeakPolarHBondContact OD1-CB 3.49Å; N40-V42 PolarHBondContact OD1-N 3.09Å; N40-V42 VanDerWaalsContact OD1-N 3.1Å; V42-N47 PolarHBondContact O-ND2 2.9Å; V42-L82 HydrophobicContact CG1-CB 3.88Å; V42-L82 HydrophobicContact CG1-CD1 4.42Å; V42-L82 HydrophobicContact CG2-CB 3.81Å; V42-L82 HydrophobicContact CG2-CD1 3.96Å; V42-T83 HydrophobicContact CG2-CG2 4.36Å |
| 43 | D | 82.4 | Confident | 82.3 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -89.2 | -4.2 | 178.1 | -71.3 | -33.7 | 0 | 0 | 0 | 113.9 | N40 V41 R48 | N40-D43 HydrophobicContact CB-CB 4.28Å; N40-D43 PolarHBondContact ND2-OD2 2.9Å; N40-D43 PolarHBondContact O-N 3.2Å; N40-D43 VanDerWaalsContact O-N 3.13Å; V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 3.42Å; D43-R48 VanDerWaalsContact O-CD 3.25Å; D43-R48 WeakPolarHBondContact O-CD 3.49Å; D43-R48 PolarHBondContact O-NE 3.38Å; D43-R48 IonicContact OD1-CZ 3Å; D43-R48 IonicContact OD1-NE 3.55Å; D43-R48 IonicContact OD1-NH2 3.17Å; D43-R48 PolarHBondContact OD1-NH2 2.95Å |
| 44 | S | 84.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -55.8 | 151.5 | -173.9 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | E38 N40 V41 A46 N47 R48 | E38-S44 WeakPolarHBondContact OE2-CA 3.49Å; E38-S44 WeakPolarHBondContact OE2-CB 3.31Å; N40-S44 PolarHBondContact O-N 3.46Å; V41-S44 VanDerWaalsContact O-CB 3.26Å; V41-S44 WeakPolarHBondContact O-CB 3.48Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 PolarHBondContact O-OG 2.86Å; S44-A46 PolarHBondContact O-N 3.37Å; S44-N47 PolarHBondContact O-N 2.98Å; S44-N47 VanDerWaalsContact O-N 3.1Å; S44-N47 WeakPolarHBondContact OG-CB 3.35Å; S44-N47 PolarHBondContact OG-N 3.14Å; S44-N47 VanDerWaalsContact OG-N 3.09Å; S44-R48 PolarHBondContact O-N 3.45Å |
| 45 | Q | 82.1 | Confident | 82.2 | Confident | 134 Ų | 134 | 70 Ų | 70 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.1 | -34.4 | 172.1 | -169.7 | 179.5 | -19.6 | 0 | 0 | 111.1 | E38 R48 S49 G50 | E38-Q45 PolarHBondContact OE2-N 3.36Å; Q45-R48 PolarHBondContact O-N 3.21Å; Q45-S49 VanDerWaalsContact CG-OG 3.23Å; Q45-S49 WeakPolarHBondContact CG-OG 3.19Å; Q45-S49 CarbonylContact O-C 3.29Å; Q45-S49 PolarHBondContact O-N 2.98Å; Q45-S49 PolarHBondContact O-OG 2.9Å; Q45-S49 VanDerWaalsContact O-OG 3.1Å; Q45-G50 PolarHBondContact O-N 3.24Å |
| 46 | A | 81.9 | Confident | 82.5 | Confident | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F30 L34 S44 G50 | F30-A46 HydrophobicContact CZ-CB 4.18Å; L34-A46 HydrophobicContact CD2-CB 4.09Å; S44-A46 PolarHBondContact O-N 3.37Å; A46-G50 WeakPolarHBondContact O-CA 3.32Å; A46-G50 PolarHBondContact O-N 2.95Å |
| 47 | N | 86.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.7 | -37.9 | 176.6 | -169.4 | 42.7 | 0 | 0 | 0 | 112.9 | V42 S44 L58 T83 R85 | V42-N47 PolarHBondContact O-ND2 2.9Å; S44-N47 PolarHBondContact O-N 2.98Å; S44-N47 VanDerWaalsContact O-N 3.1Å; S44-N47 WeakPolarHBondContact OG-CB 3.35Å; S44-N47 PolarHBondContact OG-N 3.14Å; S44-N47 VanDerWaalsContact OG-N 3.09Å; N47-L58 HydrophobicContact CB-CD2 3.75Å; N47-T83 HydrophobicContact CB-CG2 4.29Å; N47-R85 PolarHBondContact O-NH2 2.94Å |
| 48 | R | 82.3 | Confident | 83.4 | Confident | 171 Ų | 171 | 62 Ų | 62 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -83.3 | -33.9 | -172.7 | -69 | -174.2 | 170.9 | -153.4 | 1.6 | 114.4 | D43 S44 Q45 | D43-R48 VanDerWaalsContact O-CD 3.25Å; D43-R48 WeakPolarHBondContact O-CD 3.49Å; D43-R48 PolarHBondContact O-NE 3.38Å; D43-R48 IonicContact OD1-CZ 3Å; D43-R48 IonicContact OD1-NE 3.55Å; D43-R48 IonicContact OD1-NH2 3.17Å; D43-R48 PolarHBondContact OD1-NH2 2.95Å; S44-R48 PolarHBondContact O-N 3.45Å; Q45-R48 PolarHBondContact O-N 3.21Å |
| 49 | S | 77.5 | Confident | 84 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -145.7 | 4 | -173.4 | 55 | 0 | 0 | 0 | 0 | 114.7 | Q45 | Q45-S49 VanDerWaalsContact CG-OG 3.23Å; Q45-S49 WeakPolarHBondContact CG-OG 3.19Å; Q45-S49 CarbonylContact O-C 3.29Å; Q45-S49 PolarHBondContact O-N 2.98Å; Q45-S49 PolarHBondContact O-OG 2.9Å; Q45-S49 VanDerWaalsContact O-OG 3.1Å |
| 50 | G | 76.5 | Confident | 84.9 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | -66.7 | 157.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q45 A46 | Q45-G50 PolarHBondContact O-N 3.24Å; A46-G50 WeakPolarHBondContact O-CA 3.32Å; A46-G50 PolarHBondContact O-N 2.95Å | ||
| 51 | S | 85.8 | Confident | 85.3 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | trans | -67.6 | 169.7 | 175.2 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | E53 D54 Q55 | S51-E53 PolarHBondContact O-N 3.18Å; S51-E53 PolarHBondContact OG-N 3.15Å; S51-D54 VanDerWaalsContact CB-OD2 3.29Å; S51-D54 WeakPolarHBondContact CB-OD2 3.48Å; S51-D54 PolarHBondContact N-OD2 3.37Å; S51-D54 PolarHBondContact O-N 2.69Å; S51-D54 VanDerWaalsContact O-N 3.16Å; S51-D54 PolarHBondContact OG-N 3.24Å; S51-D54 VanDerWaalsContact OG-N 3.15Å; S51-D54 PolarHBondContact OG-OD2 3.4Å; S51-Q55 PolarHBondContact O-N 2.89Å | ||
| 52 | D | 83.4 | Confident | 85.7 | Confident | 93 Ų | 93 | 51.2 Ų | 51.2 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.5 | -31.8 | 166.7 | -91.2 | 31.9 | 0 | 0 | 0 | 113.5 | R56 | D52-R56 WeakPolarHBondContact O-CB 3.42Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 2.96Å; D52-R56 VanDerWaalsContact O-N 3.13Å; D52-R56 IonicContact OD2-CZ 2.7Å; D52-R56 IonicContact OD2-NH2 2.79Å; D52-R56 PolarHBondContact OD2-NH2 2.93Å |
| 53 | E | 85 | Confident | 86.1 | Confident | 136 Ų | 136 | 50 Ų | 50 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -76.4 | -43.3 | 178.4 | -62.4 | -175.4 | 163.2 | 0 | 0 | 110.7 | S51 Q55 R56 A57 | S51-E53 PolarHBondContact O-N 3.18Å; S51-E53 PolarHBondContact OG-N 3.15Å; E53-Q55 PolarHBondContact O-N 2.93Å; E53-R56 PolarHBondContact O-N 2.86Å; E53-A57 WeakPolarHBondContact O-CB 3.47Å; E53-A57 PolarHBondContact O-N 3.32Å |
| 54 | D | 85.8 | Confident | 86.5 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.2 | -58.4 | -64.6 | 0 | 0 | 0 | 111.4 | S51 A57 L58 | S51-D54 VanDerWaalsContact CB-OD2 3.29Å; S51-D54 WeakPolarHBondContact CB-OD2 3.48Å; S51-D54 PolarHBondContact N-OD2 3.37Å; S51-D54 PolarHBondContact O-N 2.69Å; S51-D54 VanDerWaalsContact O-N 3.16Å; S51-D54 PolarHBondContact OG-N 3.24Å; S51-D54 VanDerWaalsContact OG-N 3.15Å; S51-D54 PolarHBondContact OG-OD2 3.4Å; D54-A57 PolarHBondContact O-N 2.98Å; D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.92Å |
| 55 | Q | 86.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -38.2 | 179.4 | -161.3 | -156.8 | -25.5 | 0 | 0 | 111.9 | S51 E53 L58 Q59 T83 R85 | S51-Q55 PolarHBondContact O-N 2.89Å; E53-Q55 PolarHBondContact O-N 2.93Å; Q55-L58 WeakPolarHBondContact O-CB 3.41Å; Q55-L58 PolarHBondContact O-N 3.32Å; Q55-Q59 PolarHBondContact O-N 3.17Å; Q55-T83 PolarHBondContact NE2-O 3.21Å; Q55-R85 VanDerWaalsContact NE2-CG 3.31Å; Q55-R85 VanDerWaalsContact OE1-CD 3.27Å |
| 56 | R | 87.9 | Confident | 87.1 | Confident | 120 Ų | 120 | 41 Ų | 41 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 172.3 | -73.8 | 169.2 | -164.7 | 130.6 | 16.5 | 111.3 | D52 E53 L58 Q59 A60 Y90 | D52-R56 WeakPolarHBondContact O-CB 3.42Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 2.96Å; D52-R56 VanDerWaalsContact O-N 3.13Å; D52-R56 IonicContact OD2-CZ 2.7Å; D52-R56 IonicContact OD2-NH2 2.79Å; D52-R56 PolarHBondContact OD2-NH2 2.93Å; E53-R56 PolarHBondContact O-N 2.86Å; R56-L58 VanDerWaalsContact C-N 3.33Å; R56-L58 PolarHBondContact O-N 3.29Å; R56-Q59 PolarHBondContact O-N 3.18Å; R56-A60 WeakPolarHBondContact O-CB 3.48Å; R56-A60 PolarHBondContact O-N 3.44Å; R56-Y90 HydrophobicContact CB-CE1 4.16Å; R56-Y90 HydrophobicContact CG-CE1 4.36Å; R56-Y90 WeakPolarHBondContact O-CE1 3.39Å |
| 57 | A | 90 | Very high | 87.5 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A27 F30 E53 D54 G61 | A27-A57 WeakPolarHBondContact CB-O 2.99Å; F30-A57 HydrophobicContact CD1-CB 3.92Å; F30-A57 HydrophobicContact CE1-CB 4.06Å; E53-A57 WeakPolarHBondContact O-CB 3.47Å; E53-A57 PolarHBondContact O-N 3.32Å; D54-A57 PolarHBondContact O-N 2.98Å; A57-G61 PolarHBondContact O-N 3.17Å |
| 58 | L | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -52.6 | 174 | -167.4 | 63.8 | 0 | 0 | 0 | 111.2 | F30 V31 L34 V41 N47 D54 Q55 R56 G61 L62 T83 | F30-L58 HydrophobicContact CE1-CD1 4.49Å; V31-L58 HydrophobicContact CG2-CD1 3.99Å; L34-L58 HydrophobicContact CD2-CD1 3.56Å; V41-L58 HydrophobicContact CG1-CD1 3.45Å; V41-L58 VanDerWaalsContact CG1-CD1 3.45Å; V41-L58 HydrophobicContact CG1-CD2 4.48Å; V41-L58 HydrophobicContact CG1-CG 4.24Å; N47-L58 HydrophobicContact CB-CD2 3.75Å; D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.92Å; Q55-L58 WeakPolarHBondContact O-CB 3.41Å; Q55-L58 PolarHBondContact O-N 3.32Å; R56-L58 VanDerWaalsContact C-N 3.33Å; R56-L58 PolarHBondContact O-N 3.29Å; L58-G61 PolarHBondContact O-N 3.14Å; L58-L62 HydrophobicContact CG-CD1 4.29Å; L58-L62 WeakPolarHBondContact O-CB 3.17Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.08Å; L58-T83 HydrophobicContact CD2-CG2 3.99Å |
| 59 | Q | 91.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.4 | -77.4 | -67.9 | -8.8 | 0 | 0 | 112.9 | Q55 R56 G61 L62 L63 I80 T83 S84 Y90 V91 | Q55-Q59 PolarHBondContact O-N 3.17Å; R56-Q59 PolarHBondContact O-N 3.18Å; Q59-G61 VanDerWaalsContact C-N 3.29Å; Q59-G61 PolarHBondContact O-N 2.94Å; Q59-L62 PolarHBondContact O-N 3.32Å; Q59-L63 WeakPolarHBondContact O-CB 3.32Å; Q59-L63 PolarHBondContact O-N 3.44Å; Q59-I80 PolarHBondContact NE2-O 3.42Å; Q59-T83 PolarHBondContact NE2-O 3.41Å; Q59-T83 PolarHBondContact NE2-OG1 2.98Å; Q59-S84 VanDerWaalsContact NE2-CA 3.28Å; Q59-S84 VanDerWaalsContact NE2-N 3.1Å; Q59-Y90 HydrophobicContact CB-CD1 3.75Å; Q59-Y90 HydrophobicContact CB-CE1 3.99Å; Q59-V91 HydrophobicContact CB-CG2 4.22Å; Q59-V91 HydrophobicContact CG-CG2 4.47Å |
| 60 | A | 91.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 A27 R56 Y64 Y90 | L24-A60 HydrophobicContact CD1-CB 4.04Å; L24-A60 WeakPolarHBondContact CD1-O 3.39Å; A27-A60 HydrophobicContact CB-CB 3.66Å; R56-A60 WeakPolarHBondContact O-CB 3.48Å; R56-A60 PolarHBondContact O-N 3.44Å; A60-Y64 WeakPolarHBondContact O-CB 3.08Å; A60-Y64 PolarHBondContact O-N 3.27Å; A60-Y90 HydrophobicContact CB-CE1 4.16Å |
| 61 | G | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.3 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A27 A57 L58 Q59 Y64 L65 | A27-G61 WeakPolarHBondContact O-CA 3.19Å; A57-G61 PolarHBondContact O-N 3.17Å; L58-G61 PolarHBondContact O-N 3.14Å; Q59-G61 VanDerWaalsContact C-N 3.29Å; Q59-G61 PolarHBondContact O-N 2.94Å; G61-Y64 PolarHBondContact O-N 3.43Å; G61-L65 VanDerWaalsContact O-CG 3.3Å; G61-L65 WeakPolarHBondContact O-CG 3.39Å; G61-L65 PolarHBondContact O-N 3.03Å |
| 62 | L | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 171.2 | -71.5 | 168.4 | 0 | 0 | 0 | 111.2 | V31 V41 L58 Q59 L65 A66 F76 D79 I80 T83 | V31-L62 HydrophobicContact CG1-CD2 3.83Å; V31-L62 HydrophobicContact CG1-CG 4.07Å; V41-L62 HydrophobicContact CG1-CD1 4.3Å; V41-L62 HydrophobicContact CG1-CD2 4.31Å; L58-L62 HydrophobicContact CG-CD1 4.29Å; L58-L62 WeakPolarHBondContact O-CB 3.17Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.08Å; Q59-L62 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-A66 VanDerWaalsContact O-CB 3.27Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.8Å; L62-F76 HydrophobicContact CD2-CD1 3.94Å; L62-D79 HydrophobicContact CD1-CB 3.9Å; L62-D79 HydrophobicContact CD2-CB 3.8Å; L62-D79 HydrophobicContact CG-CB 4.49Å; L62-I80 HydrophobicContact CB-CD1 4.2Å; L62-I80 HydrophobicContact CB-CG1 3.59Å; L62-I80 HydrophobicContact CD1-CG1 4.37Å; L62-T83 HydrophobicContact CD1-CG2 4.43Å; L62-T83 WeakPolarHBondContact CD1-OG1 3.41Å |
| 63 | L | 91.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 173.6 | 176.2 | 61.7 | 0 | 0 | 0 | 112 | Q59 A66 L67 V91 E94 M95 L117 | Q59-L63 WeakPolarHBondContact O-CB 3.32Å; Q59-L63 PolarHBondContact O-N 3.44Å; L63-A66 PolarHBondContact O-N 3.4Å; L63-L67 HydrophobicContact CD1-CD1 3.87Å; L63-L67 HydrophobicContact CD1-CG 4.08Å; L63-L67 HydrophobicContact CG-CD1 4.03Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 2.86Å; L63-V91 HydrophobicContact CD1-CG1 4.12Å; L63-V91 HydrophobicContact CD2-CG1 4.22Å; L63-E94 HydrophobicContact CD2-CB 3.58Å; L63-M95 HydrophobicContact CD1-CG 3.78Å; L63-M95 HydrophobicContact CD1-SD 4.26Å; L63-M95 HydrophobicContact CD2-CG 4.22Å; L63-L117 HydrophobicContact CD1-CD1 4.16Å |
| 64 | Y | 91.2 | Very high | 82.5 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.6 | -52 | 175.5 | 177.9 | -83.3 | 0 | 0 | 0 | 110.9 | L8 L24 Q25 A60 G61 A66 L67 T68 | L8-Y64 HydrophobicContact CD1-CD2 3.76Å; L8-Y64 HydrophobicContact CD1-CE2 3.59Å; L8-Y64 HydrophobicContact CG-CD2 4.29Å; L8-Y64 HydrophobicContact CG-CE2 3.91Å; L24-Y64 HydrophobicContact CG-CD2 4.18Å; Q25-Y64 HydrophobicContact CB-CD2 4.49Å; Q25-Y64 HydrophobicContact CB-CE2 4Å; Q25-Y64 HydrophobicContact CG-CE2 3.84Å; A60-Y64 WeakPolarHBondContact O-CB 3.08Å; A60-Y64 PolarHBondContact O-N 3.27Å; G61-Y64 PolarHBondContact O-N 3.43Å; Y64-A66 PolarHBondContact O-N 2.85Å; Y64-L67 PolarHBondContact O-N 2.99Å; Y64-L67 VanDerWaalsContact O-N 3.16Å; Y64-T68 HydrophobicContact CD1-CG2 4.33Å; Y64-T68 HydrophobicContact CE1-CG2 3.92Å; Y64-T68 HydrophobicContact CE2-CG2 4.2Å; Y64-T68 PolarHBondContact O-N 3.2Å; Y64-T68 PolarHBondContact O-OG1 3.24Å; Y64-T68 VanDerWaalsContact O-OG1 3.11Å |
| 65 | L | 89.1 | Confident | 81.9 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | -178.2 | -66.7 | 170.6 | 0 | 0 | 0 | 111.7 | V31 G61 L62 L67 T68 E69 F76 | V31-L65 HydrophobicContact CB-CD1 4.09Å; V31-L65 HydrophobicContact CG1-CD1 3.76Å; G61-L65 VanDerWaalsContact O-CG 3.3Å; G61-L65 WeakPolarHBondContact O-CG 3.39Å; G61-L65 PolarHBondContact O-N 3.03Å; L62-L65 PolarHBondContact O-N 3.27Å; L65-L67 PolarHBondContact O-N 3.41Å; L65-T68 PolarHBondContact O-N 3.49Å; L65-E69 HydrophobicContact CD2-CG 4.3Å; L65-E69 WeakPolarHBondContact O-CB 3.43Å; L65-E69 PolarHBondContact O-N 3.11Å; L65-F76 HydrophobicContact CB-CD1 4.21Å; L65-F76 HydrophobicContact CB-CD2 4.33Å; L65-F76 HydrophobicContact CB-CE1 3.74Å; L65-F76 HydrophobicContact CB-CE2 3.87Å; L65-F76 HydrophobicContact CB-CG 4.49Å; L65-F76 HydrophobicContact CB-CZ 3.57Å; L65-F76 HydrophobicContact CD1-CE1 3.81Å; L65-F76 HydrophobicContact CD1-CZ 4.08Å; L65-F76 HydrophobicContact CG-CE1 4.41Å; L65-F76 HydrophobicContact CG-CZ 4.34Å |
| 66 | A | 90 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -30.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L62 L63 Y64 F76 I80 L117 | L62-A66 VanDerWaalsContact O-CB 3.27Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.8Å; L63-A66 PolarHBondContact O-N 3.4Å; Y64-A66 PolarHBondContact O-N 2.85Å; A66-F76 HydrophobicContact CB-CB 3.74Å; A66-F76 HydrophobicContact CB-CD2 4.42Å; A66-F76 HydrophobicContact CB-CG 4.38Å; A66-I80 HydrophobicContact CB-CD1 4.29Å; A66-L117 HydrophobicContact CB-CD1 3.84Å; A66-L117 HydrophobicContact CB-CD2 4.09Å; A66-L117 HydrophobicContact CB-CG 4.48Å |
| 67 | L | 90 | Very high | 81.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -81.9 | -32.7 | 175.2 | -71.4 | 173.1 | 0 | 0 | 0 | 113 | L8 L63 Y64 L65 L98 V110 N113 L114 L117 | L8-L67 HydrophobicContact CD2-CB 4.06Å; L63-L67 HydrophobicContact CD1-CD1 3.87Å; L63-L67 HydrophobicContact CD1-CG 4.08Å; L63-L67 HydrophobicContact CG-CD1 4.03Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 2.86Å; Y64-L67 PolarHBondContact O-N 2.99Å; Y64-L67 VanDerWaalsContact O-N 3.16Å; L65-L67 PolarHBondContact O-N 3.41Å; L67-L98 HydrophobicContact CD1-CD1 3.66Å; L67-V110 HydrophobicContact CB-CG1 4.49Å; L67-V110 HydrophobicContact CD2-CG1 4.46Å; L67-V110 WeakPolarHBondContact O-CG2 3.44Å; L67-N113 HydrophobicContact CD2-CB 4.44Å; L67-N113 PolarHBondContact O-ND2 3.35Å; L67-L114 HydrophobicContact CD2-CB 3.76Å; L67-L114 HydrophobicContact CD2-CD1 4.5Å; L67-L114 HydrophobicContact CD2-CG 4.25Å; L67-L117 HydrophobicContact CD2-CD1 3.96Å; L67-L117 HydrophobicContact CG-CD1 4.27Å |
| 68 | T | 87.7 | Confident | 81.1 | Confident | 27 Ų | 27 | 35 Ų | 35 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -98.7 | -33.4 | -174.7 | 59.7 | 0 | 0 | 0 | 0 | 115.8 | P7 L8 Y64 L65 | P7-T68 HydrophobicContact CB-CG2 3.79Å; L8-T68 HydrophobicContact CD2-CG2 3.57Å; L8-T68 HydrophobicContact CG-CG2 3.81Å; Y64-T68 HydrophobicContact CD1-CG2 4.33Å; Y64-T68 HydrophobicContact CE1-CG2 3.92Å; Y64-T68 HydrophobicContact CE2-CG2 4.2Å; Y64-T68 PolarHBondContact O-N 3.2Å; Y64-T68 PolarHBondContact O-OG1 3.24Å; Y64-T68 VanDerWaalsContact O-OG1 3.11Å; L65-T68 PolarHBondContact O-N 3.49Å |
| 69 | E | 80.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | trans | -98.4 | 123.8 | -173.9 | -61.9 | -168.3 | 161.3 | 0 | 0 | 110.6 | K32 L65 D71 F76 | K32-E69 IonicContact NZ-OE1 3.93Å; K32-E69 PolarHBondContact NZ-OE1 2.98Å; L65-E69 HydrophobicContact CD2-CG 4.3Å; L65-E69 WeakPolarHBondContact O-CB 3.43Å; L65-E69 PolarHBondContact O-N 3.11Å; E69-D71 PolarHBondContact O-N 3.35Å; E69-F76 HydrophobicContact CB-CE2 4.24Å | ||
| 70 | P | 64.3 | Low | 80.9 | Confident | 79 Ų | 79 | 35.6 Ų | 35.6 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -77.7 | -21.2 | -168.6 | 30 | -36.1 | 0 | 0 | 0 | 114.5 | R73 | P70-R73 VanDerWaalsContact O-CZ 3.31Å; P70-R73 PolarHBondContact O-NE 2.93Å; P70-R73 PolarHBondContact O-NH2 2.95Å |
| 71 | D | 62.1 | Low | 80.7 | Confident | 156 Ų | 156 | 38.1 Ų | 38.1 | 83% | 0.834 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -100.2 | -33.8 | -158.4 | -126.7 | -6 | 0 | 0 | 0 | 115.6 | E69 | E69-D71 PolarHBondContact O-N 3.35Š|
| 72 | P | 60.4 | Low | 80.6 | Confident | 40 Ų | 40 | 43 Ų | 43 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -97.9 | 18.4 | -179.2 | -3.7 | 24.8 | 0 | 0 | 0 | 114.9 | H74 S75 F76 | P72-H74 PolarHBondContact O-N 3.48Å; P72-S75 WeakPolarHBondContact CB-OG 3.42Å; P72-S75 WeakPolarHBondContact O-CA 3.36Å; P72-S75 WeakPolarHBondContact O-CB 3.33Å; P72-S75 PolarHBondContact O-N 2.94Å; P72-S75 PolarHBondContact O-OG 2.94Å; P72-F76 HydrophobicContact CB-CD2 3.95Å; P72-F76 HydrophobicContact CB-CE2 3.61Å; P72-F76 HydrophobicContact CB-CZ 4.12Å; P72-F76 HydrophobicContact CG-CD2 4.35Å; P72-F76 HydrophobicContact CG-CE2 3.57Å; P72-F76 HydrophobicContact CG-CZ 4.04Å; P72-F76 PolarHBondContact O-N 3.29Å; P72-F76 VanDerWaalsContact O-N 3.12Å |
| 73 | R | 56.9 | Low | 80.4 | Confident | 85 Ų | 85 | 43 Ų | 43 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -52.1 | -43.2 | -165.7 | -85.1 | 179.8 | -84.3 | 171 | -8.2 | 115.8 | P70 S75 F76 C77 N113 | P70-R73 VanDerWaalsContact O-CZ 3.31Å; P70-R73 PolarHBondContact O-NE 2.93Å; P70-R73 PolarHBondContact O-NH2 2.95Å; R73-S75 VanDerWaalsContact C-N 3.32Å; R73-S75 PolarHBondContact O-N 3.32Å; R73-F76 PolarHBondContact O-N 2.89Å; R73-C77 WeakPolarHBondContact O-CB 3.48Å; R73-C77 PolarHBondContact O-N 3.18Å; R73-N113 WeakPolarHBondContact CD-OD1 3.37Å; R73-N113 PolarHBondContact NE-OD1 3.04Å; R73-N113 PolarHBondContact NH1-OD1 3.46Å |
| 74 | H | 60.2 | Low | 80.2 | Confident | 132 Ų | 132 | 44.3 Ų | 44.3 | 61% | 0.611 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.4 | -33.1 | 175.3 | -80.4 | -64 | 0 | 0 | 0 | 112.7 | P72 T78 E120 | P72-H74 PolarHBondContact O-N 3.48Å; H74-T78 WeakPolarHBondContact O-CB 3.4Å; H74-T78 PolarHBondContact O-N 2.82Å; H74-T78 PolarHBondContact O-OG1 2.83Å; H74-E120 IonicContact CE1-OE1 2.72Å; H74-E120 PolarHBondContact CE1-OE1 3.09Å; H74-E120 IonicContact CE1-OE2 3.74Å; H74-E120 IonicContact ND1-OE2 2.74Å |
| 75 | S | 74.6 | Confident | 79.9 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66 | -49 | 173.5 | 77.3 | 0 | 0 | 0 | 0 | 110.9 | R35 P72 R73 C77 T78 D79 | R35-S75 PolarHBondContact NH2-OG 3.07Å; P72-S75 WeakPolarHBondContact CB-OG 3.42Å; P72-S75 WeakPolarHBondContact O-CA 3.36Å; P72-S75 WeakPolarHBondContact O-CB 3.33Å; P72-S75 PolarHBondContact O-N 2.94Å; P72-S75 PolarHBondContact O-OG 2.94Å; R73-S75 VanDerWaalsContact C-N 3.32Å; R73-S75 PolarHBondContact O-N 3.32Å; S75-C77 PolarHBondContact O-N 3.39Å; S75-T78 PolarHBondContact O-N 3.14Å; S75-T78 VanDerWaalsContact O-N 3.17Å; S75-D79 WeakPolarHBondContact O-CB 3.04Å; S75-D79 VanDerWaalsContact O-CG 3.29Å; S75-D79 PolarHBondContact O-N 2.71Å |
| 76 | F | 81.3 | Confident | 79.8 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | -179.6 | -64.7 | -55 | 0 | 0 | 0 | 112.6 | R35 L62 L65 A66 E69 P72 R73 T78 D79 I80 | R35-F76 VanDerWaalsContact NH1-CE1 3.32Å; L62-F76 HydrophobicContact CD2-CD1 3.94Å; L65-F76 HydrophobicContact CB-CD1 4.21Å; L65-F76 HydrophobicContact CB-CD2 4.33Å; L65-F76 HydrophobicContact CB-CE1 3.74Å; L65-F76 HydrophobicContact CB-CE2 3.87Å; L65-F76 HydrophobicContact CB-CG 4.49Å; L65-F76 HydrophobicContact CB-CZ 3.57Å; L65-F76 HydrophobicContact CD1-CE1 3.81Å; L65-F76 HydrophobicContact CD1-CZ 4.08Å; L65-F76 HydrophobicContact CG-CE1 4.41Å; L65-F76 HydrophobicContact CG-CZ 4.34Å; A66-F76 HydrophobicContact CB-CB 3.74Å; A66-F76 HydrophobicContact CB-CD2 4.42Å; A66-F76 HydrophobicContact CB-CG 4.38Å; E69-F76 HydrophobicContact CB-CE2 4.24Å; P72-F76 HydrophobicContact CB-CD2 3.95Å; P72-F76 HydrophobicContact CB-CE2 3.61Å; P72-F76 HydrophobicContact CB-CZ 4.12Å; P72-F76 HydrophobicContact CG-CD2 4.35Å; P72-F76 HydrophobicContact CG-CE2 3.57Å; P72-F76 HydrophobicContact CG-CZ 4.04Å; P72-F76 PolarHBondContact O-N 3.29Å; P72-F76 VanDerWaalsContact O-N 3.12Å; R73-F76 PolarHBondContact O-N 2.89Å; F76-T78 VanDerWaalsContact C-N 3.34Å; F76-D79 PolarHBondContact O-N 3.35Å; F76-I80 WeakPolarHBondContact O-CB 3.44Å; F76-I80 WeakPolarHBondContact O-CD1 3.38Å; F76-I80 WeakPolarHBondContact O-CG1 3.44Å; F76-I80 PolarHBondContact O-N 3.38Å |
| 77 | C | 81.5 | Confident | 79.5 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 175.4 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | R73 S75 V81 L117 E120 F121 | R73-C77 WeakPolarHBondContact O-CB 3.48Å; R73-C77 PolarHBondContact O-N 3.18Å; S75-C77 PolarHBondContact O-N 3.39Å; C77-V81 WeakPolarHBondContact O-CG2 3.33Å; C77-V81 PolarHBondContact O-N 3.04Å; C77-L117 HydrophobicContact CB-CD2 3.93Å; C77-E120 WeakPolarHBondContact SG-CB 3.4Å; C77-F121 VanDerWaalsContact SG-CE1 3.58Å |
| 78 | T | 84.5 | Confident | 79.5 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 174.5 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | H74 S75 F76 I80 V81 L82 | H74-T78 WeakPolarHBondContact O-CB 3.4Å; H74-T78 PolarHBondContact O-N 2.82Å; H74-T78 PolarHBondContact O-OG1 2.83Å; S75-T78 PolarHBondContact O-N 3.14Å; S75-T78 VanDerWaalsContact O-N 3.17Å; F76-T78 VanDerWaalsContact C-N 3.34Å; T78-I80 PolarHBondContact O-N 2.93Å; T78-V81 PolarHBondContact O-N 3.05Å; T78-L82 HydrophobicContact CG2-CD1 3.74Å; T78-L82 HydrophobicContact CG2-CG 4.27Å; T78-L82 WeakPolarHBondContact O-CB 3.38Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 2.88Å |
| 79 | D | 88.3 | Confident | 79.6 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.9 | -70.4 | -1.7 | 0 | 0 | 0 | 111.6 | R35 L62 S75 F76 V81 L82 T83 | R35-D79 IonicContact CZ-OD2 2.73Å; R35-D79 IonicContact NE-OD2 3.72Å; R35-D79 IonicContact NH2-OD2 3.5Å; R35-D79 PolarHBondContact NH2-OD2 3.06Å; L62-D79 HydrophobicContact CD1-CB 3.9Å; L62-D79 HydrophobicContact CD2-CB 3.8Å; L62-D79 HydrophobicContact CG-CB 4.49Å; S75-D79 WeakPolarHBondContact O-CB 3.04Å; S75-D79 VanDerWaalsContact O-CG 3.29Å; S75-D79 PolarHBondContact O-N 2.71Å; F76-D79 PolarHBondContact O-N 3.35Å; D79-V81 VanDerWaalsContact C-N 3.34Å; D79-V81 PolarHBondContact O-N 2.88Å; D79-L82 PolarHBondContact O-N 3.31Å; D79-T83 WeakPolarHBondContact O-CB 3.41Å; D79-T83 VanDerWaalsContact O-CG2 3.32Å; D79-T83 WeakPolarHBondContact O-CG2 3.48Å; D79-T83 PolarHBondContact O-N 2.93Å; D79-T83 PolarHBondContact O-OG1 3Å |
| 80 | I | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 177.9 | -76.2 | 164.9 | 0 | 0 | 0 | 111.1 | Q59 L62 A66 F76 T78 S84 L88 V91 F121 | Q59-I80 PolarHBondContact NE2-O 3.42Å; L62-I80 HydrophobicContact CB-CD1 4.2Å; L62-I80 HydrophobicContact CB-CG1 3.59Å; L62-I80 HydrophobicContact CD1-CG1 4.37Å; A66-I80 HydrophobicContact CB-CD1 4.29Å; F76-I80 WeakPolarHBondContact O-CB 3.44Å; F76-I80 WeakPolarHBondContact O-CD1 3.38Å; F76-I80 WeakPolarHBondContact O-CG1 3.44Å; F76-I80 PolarHBondContact O-N 3.38Å; T78-I80 PolarHBondContact O-N 2.93Å; I80-S84 VanDerWaalsContact O-CB 3.31Å; I80-S84 WeakPolarHBondContact O-CB 3.25Å; I80-S84 PolarHBondContact O-N 2.96Å; I80-L88 HydrophobicContact CG2-CD2 3.58Å; I80-V91 HydrophobicContact CG2-CG1 4.21Å; I80-V91 HydrophobicContact CG2-CG2 4Å; I80-F121 HydrophobicContact CG2-CE1 4.04Å; I80-F121 HydrophobicContact CG2-CZ 3.78Å |
| 81 | V | 88.1 | Confident | 81.4 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | C77 T78 D79 S84 L88 F121 T124 | C77-V81 WeakPolarHBondContact O-CG2 3.33Å; C77-V81 PolarHBondContact O-N 3.04Å; T78-V81 PolarHBondContact O-N 3.05Å; D79-V81 VanDerWaalsContact C-N 3.34Å; D79-V81 PolarHBondContact O-N 2.88Å; V81-S84 PolarHBondContact O-N 3.06Å; V81-L88 HydrophobicContact CG2-CD1 4.36Å; V81-L88 HydrophobicContact CG2-CD2 4.25Å; V81-F121 HydrophobicContact CG2-CD1 4.5Å; V81-F121 HydrophobicContact CG2-CE1 4.26Å; V81-T124 HydrophobicContact CG2-CG2 4.28Å |
| 82 | L | 88 | Confident | 82.9 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.9 | -20.3 | -179 | -67.1 | 178 | 0 | 0 | 0 | 114.5 | V42 T78 D79 | V42-L82 HydrophobicContact CG1-CB 3.88Å; V42-L82 HydrophobicContact CG1-CD1 4.42Å; V42-L82 HydrophobicContact CG2-CB 3.81Å; V42-L82 HydrophobicContact CG2-CD1 3.96Å; T78-L82 HydrophobicContact CG2-CD1 3.74Å; T78-L82 HydrophobicContact CG2-CG 4.27Å; T78-L82 WeakPolarHBondContact O-CB 3.38Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 2.88Å; D79-L82 PolarHBondContact O-N 3.31Å |
| 83 | T | 89 | Confident | 84.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 4.9 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 113 | V42 N47 Q55 L58 Q59 L62 D79 | V42-T83 HydrophobicContact CG2-CG2 4.36Å; N47-T83 HydrophobicContact CB-CG2 4.29Å; Q55-T83 PolarHBondContact NE2-O 3.21Å; L58-T83 HydrophobicContact CD2-CG2 3.99Å; Q59-T83 PolarHBondContact NE2-O 3.41Å; Q59-T83 PolarHBondContact NE2-OG1 2.98Å; L62-T83 HydrophobicContact CD1-CG2 4.43Å; L62-T83 WeakPolarHBondContact CD1-OG1 3.41Å; D79-T83 WeakPolarHBondContact O-CB 3.41Å; D79-T83 VanDerWaalsContact O-CG2 3.32Å; D79-T83 WeakPolarHBondContact O-CG2 3.48Å; D79-T83 PolarHBondContact O-N 2.93Å; D79-T83 PolarHBondContact O-OG1 3Å |
| 84 | S | 87.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | trans | -88.6 | 118.1 | 179.9 | 152.1 | 0 | 0 | 0 | 0 | 110.5 | Q59 I80 V81 D86 N87 L88 | Q59-S84 VanDerWaalsContact NE2-CA 3.28Å; Q59-S84 VanDerWaalsContact NE2-N 3.1Å; I80-S84 VanDerWaalsContact O-CB 3.31Å; I80-S84 WeakPolarHBondContact O-CB 3.25Å; I80-S84 PolarHBondContact O-N 2.96Å; V81-S84 PolarHBondContact O-N 3.06Å; S84-D86 PolarHBondContact OG-OD1 2.82Å; S84-N87 PolarHBondContact OG-N 2.91Å; S84-L88 PolarHBondContact OG-N 3.16Å | ||
| 85 | R | 85.3 | Confident | 87.7 | Confident | 133 Ų | 133 | 39.6 Ų | 39.6 | 50% | 0.502 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -94.1 | 0.6 | 171.9 | -58.6 | -179.9 | -162.3 | 153.4 | -12.4 | 112.6 | N47 Q55 | N47-R85 PolarHBondContact O-NH2 2.94Å; Q55-R85 VanDerWaalsContact NE2-CG 3.31Å; Q55-R85 VanDerWaalsContact OE1-CD 3.27Å |
| 86 | D | 86.1 | Confident | 88.6 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -130.5 | 21.8 | -163.9 | 67.7 | -47.8 | 0 | 0 | 0 | 113.6 | S84 L88 T89 Y90 | S84-D86 PolarHBondContact OG-OD1 2.82Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.38Å; D86-T89 VanDerWaalsContact O-CB 3.29Å; D86-T89 WeakPolarHBondContact O-CB 3.33Å; D86-T89 PolarHBondContact O-N 3.36Å; D86-T89 VanDerWaalsContact O-N 3.11Å; D86-T89 PolarHBondContact O-OG1 3.42Å; D86-T89 PolarHBondContact OD2-N 3.45Å; D86-Y90 VanDerWaalsContact OD2-CB 3.29Å; D86-Y90 WeakPolarHBondContact OD2-CB 3.49Å; D86-Y90 PolarHBondContact OD2-N 3.12Å |
| 87 | N | 84.7 | Confident | 89.1 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.6 | -176.1 | -168.4 | 53.7 | 0 | 0 | 0 | 112.8 | S84 T89 T126 | S84-N87 PolarHBondContact OG-N 2.91Å; N87-T89 PolarHBondContact O-N 2.87Å; N87-T89 VanDerWaalsContact O-N 3.14Å; N87-T126 PolarHBondContact ND2-O 3.09Å; N87-T126 PolarHBondContact OD1-OG1 3.39Å |
| 88 | L | 89.4 | Confident | 89.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 7.4 | -179.4 | -54.9 | 172.9 | 0 | 0 | 0 | 116 | I80 V81 S84 D86 Y90 V91 L92 F121 A127 | I80-L88 HydrophobicContact CG2-CD2 3.58Å; V81-L88 HydrophobicContact CG2-CD1 4.36Å; V81-L88 HydrophobicContact CG2-CD2 4.25Å; S84-L88 PolarHBondContact OG-N 3.16Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.38Å; L88-Y90 VanDerWaalsContact C-N 3.33Å; L88-Y90 PolarHBondContact O-N 2.78Å; L88-V91 PolarHBondContact O-N 3Å; L88-V91 VanDerWaalsContact O-N 3.13Å; L88-L92 HydrophobicContact CB-CD1 4Å; L88-L92 HydrophobicContact CB-CG 4.09Å; L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.38Å; L88-L92 PolarHBondContact O-N 2.7Å; L88-F121 HydrophobicContact CD1-CB 4.41Å; L88-F121 HydrophobicContact CD1-CD1 3.68Å; L88-F121 HydrophobicContact CD1-CD2 4.45Å; L88-F121 HydrophobicContact CD1-CE1 4.01Å; L88-F121 HydrophobicContact CD1-CG 3.94Å; L88-F121 HydrophobicContact CD2-CE1 4.36Å; L88-A127 HydrophobicContact CD1-CB 4.09Å |
| 89 | T | 89.9 | Confident | 89.9 | Confident | 89 Ų | 89 | 38.5 Ų | 38.5 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.5 | -47 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | D86 N87 S93 | D86-T89 VanDerWaalsContact O-CB 3.29Å; D86-T89 WeakPolarHBondContact O-CB 3.33Å; D86-T89 PolarHBondContact O-N 3.36Å; D86-T89 VanDerWaalsContact O-N 3.11Å; D86-T89 PolarHBondContact O-OG1 3.42Å; D86-T89 PolarHBondContact OD2-N 3.45Å; N87-T89 PolarHBondContact O-N 2.87Å; N87-T89 VanDerWaalsContact O-N 3.14Å; T89-S93 WeakPolarHBondContact O-CB 3.43Å; T89-S93 PolarHBondContact O-N 2.79Å |
| 90 | Y | 90.7 | Very high | 89.9 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -49.3 | 178.3 | 178.1 | -117.4 | 0 | 0 | 0 | 111.9 | R56 Q59 A60 D86 L88 L92 S93 E94 | R56-Y90 HydrophobicContact CB-CE1 4.16Å; R56-Y90 HydrophobicContact CG-CE1 4.36Å; R56-Y90 WeakPolarHBondContact O-CE1 3.39Å; Q59-Y90 HydrophobicContact CB-CD1 3.75Å; Q59-Y90 HydrophobicContact CB-CE1 3.99Å; A60-Y90 HydrophobicContact CB-CE1 4.16Å; D86-Y90 VanDerWaalsContact OD2-CB 3.29Å; D86-Y90 WeakPolarHBondContact OD2-CB 3.49Å; D86-Y90 PolarHBondContact OD2-N 3.12Å; L88-Y90 VanDerWaalsContact C-N 3.33Å; L88-Y90 PolarHBondContact O-N 2.78Å; Y90-L92 PolarHBondContact O-N 3.23Å; Y90-S93 WeakPolarHBondContact O-CB 3.37Å; Y90-S93 PolarHBondContact O-N 3.05Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 3.01Å; Y90-E94 HydrophobicContact CD2-CG 4.39Å; Y90-E94 HydrophobicContact CE1-CG 4.34Å; Y90-E94 HydrophobicContact CE2-CG 3.87Å; Y90-E94 PolarHBondContact O-N 3.29Å; Y90-E94 PolarHBondContact OH-OE1 2.91Å |
| 91 | V | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.9 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | Q59 L63 I80 L88 S93 E94 M95 F121 | Q59-V91 HydrophobicContact CB-CG2 4.22Å; Q59-V91 HydrophobicContact CG-CG2 4.47Å; L63-V91 HydrophobicContact CD1-CG1 4.12Å; L63-V91 HydrophobicContact CD2-CG1 4.22Å; I80-V91 HydrophobicContact CG2-CG1 4.21Å; I80-V91 HydrophobicContact CG2-CG2 4Å; L88-V91 PolarHBondContact O-N 3Å; L88-V91 VanDerWaalsContact O-N 3.13Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 2.94Å; V91-E94 PolarHBondContact O-N 2.76Å; V91-M95 HydrophobicContact CG1-SD 4.31Å; V91-M95 WeakPolarHBondContact O-CG 3.5Å; V91-M95 PolarHBondContact O-N 3.32Å; V91-F121 HydrophobicContact CG1-CE2 3.82Å; V91-F121 HydrophobicContact CG1-CZ 3.98Å |
| 92 | L | 93.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -35.4 | 176.3 | -67.1 | 171.4 | 0 | 0 | 0 | 111.5 | L88 Y90 T96 F121 A127 V129 L132 | L88-L92 HydrophobicContact CB-CD1 4Å; L88-L92 HydrophobicContact CB-CG 4.09Å; L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.38Å; L88-L92 PolarHBondContact O-N 2.7Å; Y90-L92 PolarHBondContact O-N 3.23Å; L92-T96 VanDerWaalsContact O-CB 3.24Å; L92-T96 WeakPolarHBondContact O-CB 3.28Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 2.91Å; L92-F121 HydrophobicContact CD2-CD2 3.85Å; L92-F121 HydrophobicContact CD2-CE2 4.46Å; L92-A127 HydrophobicContact CD1-CB 4.31Å; L92-V129 HydrophobicContact CD1-CG1 4.47Å; L92-V129 HydrophobicContact CD2-CG1 3.95Å; L92-L132 HydrophobicContact CD2-CD2 3.93Å |
| 93 | S | 92.3 | Very high | 89.8 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67 | -39.6 | 173.6 | 82.2 | 0 | 0 | 0 | 0 | 112.5 | T89 Y90 V91 T96 R97 | T89-S93 WeakPolarHBondContact O-CB 3.43Å; T89-S93 PolarHBondContact O-N 2.79Å; Y90-S93 WeakPolarHBondContact O-CB 3.37Å; Y90-S93 PolarHBondContact O-N 3.05Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 3.01Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 2.94Å; S93-T96 PolarHBondContact O-N 3.48Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.21Å |
| 94 | E | 91.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69 | -44.6 | 176.4 | -74 | -65.7 | 166.5 | 0 | 0 | 111.9 | L63 Y90 V91 T96 R97 L98 | L63-E94 HydrophobicContact CD2-CB 3.58Å; Y90-E94 HydrophobicContact CD2-CG 4.39Å; Y90-E94 HydrophobicContact CE1-CG 4.34Å; Y90-E94 HydrophobicContact CE2-CG 3.87Å; Y90-E94 PolarHBondContact O-N 3.29Å; Y90-E94 PolarHBondContact OH-OE1 2.91Å; V91-E94 PolarHBondContact O-N 2.76Å; E94-T96 VanDerWaalsContact C-N 3.3Å; E94-T96 PolarHBondContact O-N 2.79Å; E94-R97 PolarHBondContact O-N 3.32Å; E94-R97 IonicContact OE1-CZ 3.34Å; E94-R97 IonicContact OE1-NH2 2.78Å; E94-R97 PolarHBondContact OE1-NH2 2.97Å; E94-R97 IonicContact OE2-CZ 2.66Å; E94-R97 VanDerWaalsContact OE2-CZ 3.31Å; E94-R97 IonicContact OE2-NE 3.47Å; E94-R97 PolarHBondContact OE2-NE 3.05Å; E94-R97 IonicContact OE2-NH2 3.11Å; E94-R97 PolarHBondContact OE2-NH2 2.86Å; E94-L98 WeakPolarHBondContact O-CB 3.27Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.42Å; E94-L98 PolarHBondContact O-N 3.4Å |
| 95 | M | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 171 | -72.6 | 179.7 | 79.9 | 0 | 0 | 111.7 | L63 V91 L98 V99 L114 L117 F121 L132 | L63-M95 HydrophobicContact CD1-CG 3.78Å; L63-M95 HydrophobicContact CD1-SD 4.26Å; L63-M95 HydrophobicContact CD2-CG 4.22Å; V91-M95 HydrophobicContact CG1-SD 4.31Å; V91-M95 WeakPolarHBondContact O-CG 3.5Å; V91-M95 PolarHBondContact O-N 3.32Å; M95-L98 PolarHBondContact O-N 3.07Å; M95-V99 WeakPolarHBondContact O-CG2 3.45Å; M95-V99 PolarHBondContact O-N 3.25Å; M95-L114 HydrophobicContact CE-CD2 3.91Å; M95-L114 HydrophobicContact CE-CG 3.79Å; M95-L114 WeakPolarHBondContact CE-O 3.45Å; M95-L117 HydrophobicContact CE-CB 3.84Å; M95-F121 HydrophobicContact SD-CD2 4.04Å; M95-F121 HydrophobicContact SD-CE2 3.56Å; M95-F121 VanDerWaalsContact SD-CE2 3.56Å; M95-L132 HydrophobicContact CB-CD1 4.02Å; M95-L132 HydrophobicContact CB-CD2 3.86Å; M95-L132 HydrophobicContact CE-CD2 3.99Å; M95-L132 HydrophobicContact SD-CD2 4.11Å |
| 96 | T | 93.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | L92 S93 E94 L98 V99 A100 V131 H135 | L92-T96 VanDerWaalsContact O-CB 3.24Å; L92-T96 WeakPolarHBondContact O-CB 3.28Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 2.91Å; S93-T96 PolarHBondContact O-N 3.48Å; E94-T96 VanDerWaalsContact C-N 3.3Å; E94-T96 PolarHBondContact O-N 2.79Å; T96-L98 VanDerWaalsContact C-N 3.34Å; T96-L98 PolarHBondContact O-N 3.18Å; T96-V99 PolarHBondContact O-N 2.96Å; T96-A100 VanDerWaalsContact O-CB 3.24Å; T96-A100 WeakPolarHBondContact O-CB 3.44Å; T96-A100 PolarHBondContact O-N 2.67Å; T96-V131 HydrophobicContact CG2-CG1 4.02Å; T96-H135 HydrophobicContact CG2-CB 4.47Å; T96-H135 WeakPolarHBondContact CG2-ND1 3.31Å |
| 97 | R | 91.1 | Very high | 90 | Very high | 80 Ų | 80 | 34.4 Ų | 34.4 | 30% | 0.302 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.6 | -177 | 166.6 | 64.3 | -176 | 4.7 | 112 | F20 S93 E94 A100 E101 | F20-R97 HydrophobicContact CD2-CG 4.41Å; F20-R97 VanDerWaalsContact CD2-NE 3.28Å; F20-R97 HydrophobicContact CE1-CG 4.33Å; F20-R97 HydrophobicContact CE2-CG 4.04Å; F20-R97 HydrophobicContact CZ-CG 4Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.21Å; E94-R97 PolarHBondContact O-N 3.32Å; E94-R97 IonicContact OE1-CZ 3.34Å; E94-R97 IonicContact OE1-NH2 2.78Å; E94-R97 PolarHBondContact OE1-NH2 2.97Å; E94-R97 IonicContact OE2-CZ 2.66Å; E94-R97 VanDerWaalsContact OE2-CZ 3.31Å; E94-R97 IonicContact OE2-NE 3.47Å; E94-R97 PolarHBondContact OE2-NE 3.05Å; E94-R97 IonicContact OE2-NH2 3.11Å; E94-R97 PolarHBondContact OE2-NH2 2.86Å; R97-A100 PolarHBondContact O-N 2.82Å; R97-E101 HydrophobicContact CG-CG 4.38Å; R97-E101 VanDerWaalsContact CG-OE1 3.29Å; R97-E101 WeakPolarHBondContact CG-OE1 3.41Å; R97-E101 WeakPolarHBondContact O-CB 3.25Å; R97-E101 PolarHBondContact O-N 3.31Å |
| 98 | L | 91.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.4 | -73.6 | 167.9 | 0 | 0 | 0 | 111.8 | F20 L21 L24 L67 E94 M95 T96 A100 T102 W103 M106 | F20-L98 HydrophobicContact CE2-CD2 3.89Å; F20-L98 HydrophobicContact CE2-CG 4.44Å; F20-L98 HydrophobicContact CZ-CD2 4.22Å; L21-L98 HydrophobicContact CD2-CD2 3.8Å; L24-L98 HydrophobicContact CD2-CD1 4.14Å; L24-L98 HydrophobicContact CD2-CD2 4.22Å; L67-L98 HydrophobicContact CD1-CD1 3.66Å; E94-L98 WeakPolarHBondContact O-CB 3.27Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.42Å; E94-L98 PolarHBondContact O-N 3.4Å; M95-L98 PolarHBondContact O-N 3.07Å; T96-L98 VanDerWaalsContact C-N 3.34Å; T96-L98 PolarHBondContact O-N 3.18Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 2.98Å; L98-T102 PolarHBondContact O-N 2.92Å; L98-T102 PolarHBondContact O-OG1 2.89Å; L98-W103 PolarHBondContact O-N 3.18Å; L98-M106 VanDerWaalsContact C-CE 3.48Å; L98-M106 HydrophobicContact CB-CE 3.67Å; L98-M106 VanDerWaalsContact O-CE 3.25Å; L98-M106 WeakPolarHBondContact O-CE 3.28Å |
| 99 | V | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | M95 T96 W103 L114 L132 H135 V136 R139 | M95-V99 WeakPolarHBondContact O-CG2 3.45Å; M95-V99 PolarHBondContact O-N 3.25Å; T96-V99 PolarHBondContact O-N 2.96Å; V99-W103 HydrophobicContact CG1-CE3 4.3Å; V99-W103 HydrophobicContact CG2-CE3 4.13Å; V99-W103 HydrophobicContact CG2-CZ3 4.41Å; V99-W103 WeakPolarHBondContact O-CB 3.26Å; V99-L114 HydrophobicContact CG2-CD1 3.75Å; V99-L114 HydrophobicContact CG2-CD2 3.81Å; V99-L114 HydrophobicContact CG2-CG 4.46Å; V99-L132 HydrophobicContact CB-CD1 4.47Å; V99-L132 HydrophobicContact CG2-CD1 3.87Å; V99-H135 HydrophobicContact CB-CB 4.33Å; V99-H135 HydrophobicContact CG1-CB 3.92Å; V99-V136 HydrophobicContact CG1-CG2 4.06Å; V99-V136 HydrophobicContact CG2-CG2 4.19Å; V99-R139 HydrophobicContact CG1-CG 4.01Å; V99-R139 PolarHBondContact O-NE 3.1Å; V99-R139 PolarHBondContact O-NH2 3.39Å |
| 100 | A | 86.8 | Confident | 90.2 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71 | -45 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | T96 R97 L98 R139 | T96-A100 VanDerWaalsContact O-CB 3.24Å; T96-A100 WeakPolarHBondContact O-CB 3.44Å; T96-A100 PolarHBondContact O-N 2.67Å; R97-A100 PolarHBondContact O-N 2.82Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 2.98Å; A100-R139 PolarHBondContact O-NH2 3.04Å |
| 101 | E | 85.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 31 Ų | 31 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -100.4 | -35.5 | -170.7 | -66.3 | -173.2 | -136.5 | 0 | 0 | 114.3 | F20 R97 | F20-E101 HydrophobicContact CE1-CB 4.04Å; F20-E101 HydrophobicContact CE1-CG 4.47Å; F20-E101 WeakPolarHBondContact CE1-OE2 3.49Å; F20-E101 HydrophobicContact CZ-CB 4.3Å; R97-E101 HydrophobicContact CG-CG 4.38Å; R97-E101 VanDerWaalsContact CG-OE1 3.29Å; R97-E101 WeakPolarHBondContact CG-OE1 3.41Å; R97-E101 WeakPolarHBondContact O-CB 3.25Å; R97-E101 PolarHBondContact O-N 3.31Å |
| 102 | T | 88.3 | Confident | 90.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -6 | -164.5 | 64.9 | 0 | 0 | 0 | 0 | 115.9 | L9 P18 F20 L98 P104 K105 M106 | L9-T102 HydrophobicContact CD1-CG2 3.8Å; P18-T102 HydrophobicContact CG-CG2 4.08Å; F20-T102 HydrophobicContact CE1-CG2 4.07Å; F20-T102 HydrophobicContact CZ-CG2 3.74Å; L98-T102 PolarHBondContact O-N 2.92Å; L98-T102 PolarHBondContact O-OG1 2.89Å; T102-P104 VanDerWaalsContact C-CD 3.42Å; T102-P104 VanDerWaalsContact O-N 3.13Å; T102-K105 PolarHBondContact O-N 3.23Å; T102-M106 PolarHBondContact O-N 3.33Å |
| 103 | W | 90.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -43.9 | -45.1 | -178.6 | -177.2 | -91.4 | 0 | 0 | 0 | 116.4 | L98 V99 K105 M106 R111 L114 R139 W151 L152 | L98-W103 PolarHBondContact O-N 3.18Å; V99-W103 HydrophobicContact CG1-CE3 4.3Å; V99-W103 HydrophobicContact CG2-CE3 4.13Å; V99-W103 HydrophobicContact CG2-CZ3 4.41Å; V99-W103 WeakPolarHBondContact O-CB 3.26Å; W103-K105 PolarHBondContact O-N 3.23Å; W103-M106 HydrophobicContact CD2-SD 4.35Å; W103-M106 HydrophobicContact CE3-CE 4.39Å; W103-M106 HydrophobicContact CE3-SD 3.66Å; W103-M106 HydrophobicContact CZ3-SD 4.25Å; W103-M106 PolarHBondContact O-N 3.45Å; W103-R111 HydrophobicContact CE3-CG 4.34Å; W103-R111 HydrophobicContact CH2-CB 3.95Å; W103-R111 HydrophobicContact CH2-CG 3.89Å; W103-R111 HydrophobicContact CZ2-CB 4.44Å; W103-R111 HydrophobicContact CZ2-CG 4.08Å; W103-R111 HydrophobicContact CZ3-CB 4.3Å; W103-R111 HydrophobicContact CZ3-CG 4.02Å; W103-R111 PolarHBondContact O-NE 2.93Å; W103-R111 PolarHBondContact O-NH2 3.18Å; W103-L114 HydrophobicContact CZ3-CD1 4.48Å; W103-L114 HydrophobicContact CZ3-CD2 4.46Å; W103-R139 HydrophobicContact CB-CG 4.34Å; W103-R139 HydrophobicContact CD2-CG 4.13Å; W103-R139 HydrophobicContact CG-CG 3.8Å; W103-W151 HydrophobicContact CH2-CZ3 4.47Å; W103-W151 HydrophobicContact CZ2-CZ3 4.4Å; W103-L152 HydrophobicContact CH2-CD1 3.86Å; W103-L152 HydrophobicContact CZ2-CD1 3.73Å; W103-L152 HydrophobicContact CZ2-CD2 3.79Å; W103-L152 HydrophobicContact CZ2-CG 4.23Å |
| 104 | P | 86.2 | Confident | 90.3 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -62 | -32.4 | 179.6 | -22.5 | 35 | 0 | 0 | 0 | 113.1 | T102 R111 | T102-P104 VanDerWaalsContact C-CD 3.42Å; T102-P104 VanDerWaalsContact O-N 3.13Å; P104-R111 PolarHBondContact O-NH2 3.02Å |
| 105 | K | 87.7 | Confident | 90.4 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 33% | 0.326 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -88.7 | -12.4 | -179.3 | -70.6 | -180 | 170.6 | 174.7 | 0 | 113.8 | L9 K10 F11 D15 T102 W103 | L9-K105 CarbonylContact C-O 3.51Å; L9-K105 WeakPolarHBondContact CA-O 3.4Å; L9-K105 HydrophobicContact CB-CB 4.32Å; L9-K105 HydrophobicContact CD2-CB 4.33Å; K10-K105 PolarHBondContact N-O 3.29Å; F11-K105 HydrophobicContact CD1-CD 4.13Å; F11-K105 HydrophobicContact CE1-CD 4.04Å; D15-K105 VanDerWaalsContact CG-NZ 3.33Å; D15-K105 WeakPolarHBondContact OD1-CE 3.5Å; D15-K105 IonicContact OD1-NZ 3.5Å; D15-K105 PolarHBondContact OD1-NZ 3.32Å; D15-K105 IonicContact OD2-NZ 3.67Å; T102-K105 PolarHBondContact O-N 3.23Å; W103-K105 PolarHBondContact O-N 3.23Å |
| 106 | M | 89.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -56.7 | 142.3 | 179.4 | -71.6 | 178.7 | -178.3 | 0 | 0 | 113.1 | L9 L98 T102 W103 V110 R111 L114 | L9-M106 HydrophobicContact CD2-CB 4.27Å; L9-M106 HydrophobicContact CD2-CG 3.68Å; L98-M106 VanDerWaalsContact C-CE 3.48Å; L98-M106 HydrophobicContact CB-CE 3.67Å; L98-M106 VanDerWaalsContact O-CE 3.25Å; L98-M106 WeakPolarHBondContact O-CE 3.28Å; T102-M106 PolarHBondContact O-N 3.33Å; W103-M106 HydrophobicContact CD2-SD 4.35Å; W103-M106 HydrophobicContact CE3-CE 4.39Å; W103-M106 HydrophobicContact CE3-SD 3.66Å; W103-M106 HydrophobicContact CZ3-SD 4.25Å; W103-M106 PolarHBondContact O-N 3.45Å; M106-V110 HydrophobicContact CB-CG1 4.35Å; M106-V110 HydrophobicContact CG-CG1 4.14Å; M106-V110 HydrophobicContact SD-CG1 4.14Å; M106-R111 HydrophobicContact CB-CG 3.81Å; M106-R111 PolarHBondContact O-NH2 3.32Å; M106-R111 HydrophobicContact SD-CG 4.14Å; M106-L114 HydrophobicContact CE-CD1 3.96Å; M106-L114 HydrophobicContact SD-CD1 4.22Å |
| 107 | T | 88.7 | Confident | 90.1 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | trans | -66 | 152.8 | 166 | 72.3 | 0 | 0 | 0 | 0 | 110 | P7 L8 K10 S109 V110 R111 | P7-T107 WeakPolarHBondContact O-CG2 3.41Å; P7-T107 PolarHBondContact O-OG1 2.92Å; L8-T107 PolarHBondContact O-N 2.89Å; L8-T107 VanDerWaalsContact O-N 3.11Å; K10-T107 HydrophobicContact CG-CG2 4.18Å; T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.36Å; T107-V110 PolarHBondContact O-N 3.46Å; T107-V110 VanDerWaalsContact O-N 3.15Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.49Å; T107-V110 PolarHBondContact OG1-N 3.21Å; T107-R111 PolarHBondContact O-N 3.42Å; T107-R111 VanDerWaalsContact O-N 3.15Å | ||
| 108 | Q | 89.4 | Confident | 90.2 | Very high | 69 Ų | 69 | 27.7 Ų | 27.7 | 32% | 0.322 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.4 | -34.4 | -177.9 | -170.2 | 58 | 27.9 | 0 | 0 | 112 | V110 R111 C112 W151 | Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.06Å; Q108-R111 PolarHBondContact O-N 3.17Å; Q108-R111 VanDerWaalsContact OE1-NH1 3.14Å; Q108-C112 PolarHBondContact O-N 3.43Å; Q108-C112 PolarHBondContact O-SG 3.39Å; Q108-W151 VanDerWaalsContact NE2-CE2 3.29Å; Q108-W151 VanDerWaalsContact NE2-CZ3 3.27Å |
| 109 | S | 88.3 | Confident | 90.2 | Very high | 58 Ų | 58 | 27.9 Ų | 27.9 | 41% | 0.406 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 173 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | T107 R111 C112 N113 | T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.36Å; S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.66Å; S109-C112 PolarHBondContact O-N 2.98Å; S109-N113 WeakPolarHBondContact O-CB 3.29Å; S109-N113 PolarHBondContact O-N 3.09Å; S109-N113 PolarHBondContact O-ND2 3.13Å; S109-N113 PolarHBondContact O-OD1 3.24Å |
| 110 | V | 90.9 | Very high | 90 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 179.5 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | P7 L8 L67 M106 T107 Q108 N113 L114 | P7-V110 WeakPolarHBondContact O-CG2 3.38Å; L8-V110 HydrophobicContact CD2-CG1 4.28Å; L8-V110 HydrophobicContact CD2-CG2 4.22Å; L67-V110 HydrophobicContact CB-CG1 4.49Å; L67-V110 HydrophobicContact CD2-CG1 4.46Å; L67-V110 WeakPolarHBondContact O-CG2 3.44Å; M106-V110 HydrophobicContact CB-CG1 4.35Å; M106-V110 HydrophobicContact CG-CG1 4.14Å; M106-V110 HydrophobicContact SD-CG1 4.14Å; T107-V110 PolarHBondContact O-N 3.46Å; T107-V110 VanDerWaalsContact O-N 3.15Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.49Å; T107-V110 PolarHBondContact OG1-N 3.21Å; Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.06Å; V110-N113 PolarHBondContact O-N 3.03Å; V110-L114 VanDerWaalsContact O-CB 3.28Å; V110-L114 WeakPolarHBondContact O-CB 3.45Å; V110-L114 PolarHBondContact O-N 3.11Å |
| 111 | R | 92.9 | Very high | 90.1 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 173 | -63.8 | -177.5 | -174.7 | 135.9 | 0.8 | 112.1 | W103 P104 M106 T107 Q108 S109 N113 L114 L115 W151 | W103-R111 HydrophobicContact CE3-CG 4.34Å; W103-R111 HydrophobicContact CH2-CB 3.95Å; W103-R111 HydrophobicContact CH2-CG 3.89Å; W103-R111 HydrophobicContact CZ2-CB 4.44Å; W103-R111 HydrophobicContact CZ2-CG 4.08Å; W103-R111 HydrophobicContact CZ3-CB 4.3Å; W103-R111 HydrophobicContact CZ3-CG 4.02Å; W103-R111 PolarHBondContact O-NE 2.93Å; W103-R111 PolarHBondContact O-NH2 3.18Å; P104-R111 PolarHBondContact O-NH2 3.02Å; M106-R111 HydrophobicContact CB-CG 3.81Å; M106-R111 PolarHBondContact O-NH2 3.32Å; M106-R111 HydrophobicContact SD-CG 4.14Å; T107-R111 PolarHBondContact O-N 3.42Å; T107-R111 VanDerWaalsContact O-N 3.15Å; Q108-R111 PolarHBondContact O-N 3.17Å; Q108-R111 VanDerWaalsContact OE1-NH1 3.14Å; S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.66Å; R111-N113 VanDerWaalsContact C-N 3.31Å; R111-N113 PolarHBondContact O-N 2.83Å; R111-L114 PolarHBondContact O-N 3.48Å; R111-L115 WeakPolarHBondContact O-CG 3.37Å; R111-L115 PolarHBondContact O-N 3.04Å; R111-W151 HydrophobicContact CB-CH2 3.68Å; R111-W151 HydrophobicContact CB-CZ3 3.82Å |
| 112 | C | 92.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 28% | 0.284 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | Q108 S109 L115 S116 W151 | Q108-C112 PolarHBondContact O-N 3.43Å; Q108-C112 PolarHBondContact O-SG 3.39Å; S109-C112 PolarHBondContact O-N 2.98Å; C112-L115 PolarHBondContact O-N 3.36Å; C112-S116 WeakPolarHBondContact O-CB 3.48Å; C112-S116 PolarHBondContact O-N 2.94Å; C112-S116 PolarHBondContact O-OG 3.08Å; C112-W151 HydrophobicContact CB-CZ2 4.43Å; C112-W151 WeakPolarHBondContact SG-CZ2 3.5Å |
| 113 | N | 91 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 178.9 | -66 | -9.4 | 0 | 0 | 0 | 111.5 | L67 R73 S109 V110 R111 S116 L117 | L67-N113 HydrophobicContact CD2-CB 4.44Å; L67-N113 PolarHBondContact O-ND2 3.35Å; R73-N113 WeakPolarHBondContact CD-OD1 3.37Å; R73-N113 PolarHBondContact NE-OD1 3.04Å; R73-N113 PolarHBondContact NH1-OD1 3.46Å; S109-N113 WeakPolarHBondContact O-CB 3.29Å; S109-N113 PolarHBondContact O-N 3.09Å; S109-N113 PolarHBondContact O-ND2 3.13Å; S109-N113 PolarHBondContact O-OD1 3.24Å; V110-N113 PolarHBondContact O-N 3.03Å; R111-N113 VanDerWaalsContact C-N 3.31Å; R111-N113 PolarHBondContact O-N 2.83Å; N113-S116 WeakPolarHBondContact O-CB 3.32Å; N113-S116 PolarHBondContact O-N 3.35Å; N113-L117 WeakPolarHBondContact O-CG 3.26Å; N113-L117 PolarHBondContact O-N 2.81Å |
| 114 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -45 | 176.4 | -165.9 | 158.1 | 0 | 0 | 0 | 111.8 | L67 M95 V99 W103 M106 V110 R111 S116 L117 L118 | L67-L114 HydrophobicContact CD2-CB 3.76Å; L67-L114 HydrophobicContact CD2-CD1 4.5Å; L67-L114 HydrophobicContact CD2-CG 4.25Å; M95-L114 HydrophobicContact CE-CD2 3.91Å; M95-L114 HydrophobicContact CE-CG 3.79Å; M95-L114 WeakPolarHBondContact CE-O 3.45Å; V99-L114 HydrophobicContact CG2-CD1 3.75Å; V99-L114 HydrophobicContact CG2-CD2 3.81Å; V99-L114 HydrophobicContact CG2-CG 4.46Å; W103-L114 HydrophobicContact CZ3-CD1 4.48Å; W103-L114 HydrophobicContact CZ3-CD2 4.46Å; M106-L114 HydrophobicContact CE-CD1 3.96Å; M106-L114 HydrophobicContact SD-CD1 4.22Å; V110-L114 VanDerWaalsContact O-CB 3.28Å; V110-L114 WeakPolarHBondContact O-CB 3.45Å; V110-L114 PolarHBondContact O-N 3.11Å; R111-L114 PolarHBondContact O-N 3.48Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-L117 PolarHBondContact O-N 3.34Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 PolarHBondContact O-N 3.35Å |
| 115 | L | 93.2 | Very high | 89.5 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 175.2 | -64.4 | -173.9 | 0 | 0 | 0 | 112.6 | R111 C112 L118 G119 V136 W151 L152 M156 | R111-L115 WeakPolarHBondContact O-CG 3.37Å; R111-L115 PolarHBondContact O-N 3.04Å; C112-L115 PolarHBondContact O-N 3.36Å; L115-L118 HydrophobicContact CD2-CD2 4.22Å; L115-G119 PolarHBondContact O-N 3.05Å; L115-V136 HydrophobicContact CD2-CG1 4.37Å; L115-W151 HydrophobicContact CD1-CH2 3.54Å; L115-W151 HydrophobicContact CD1-CZ2 3.98Å; L115-W151 HydrophobicContact CD1-CZ3 4.19Å; L115-W151 HydrophobicContact CG-CH2 4.34Å; L115-L152 HydrophobicContact CD1-CD1 3.93Å; L115-L152 HydrophobicContact CD2-CD1 4.3Å; L115-M156 HydrophobicContact CD2-SD 3.78Å |
| 116 | S | 90.5 | Very high | 88.9 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64 | -50.4 | 173 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | C112 N113 L114 L118 G119 E120 | C112-S116 WeakPolarHBondContact O-CB 3.48Å; C112-S116 PolarHBondContact O-N 2.94Å; C112-S116 PolarHBondContact O-OG 3.08Å; N113-S116 WeakPolarHBondContact O-CB 3.32Å; N113-S116 PolarHBondContact O-N 3.35Å; L114-S116 VanDerWaalsContact C-N 3.33Å; S116-L118 VanDerWaalsContact C-N 3.32Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-G119 PolarHBondContact O-N 3.1Å; S116-E120 PolarHBondContact O-N 2.92Å |
| 117 | L | 91.4 | Very high | 88.6 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 176.1 | -73.2 | 167.5 | 0 | 0 | 0 | 112.2 | L63 A66 L67 C77 M95 N113 L114 G119 E120 F121 | L63-L117 HydrophobicContact CD1-CD1 4.16Å; A66-L117 HydrophobicContact CB-CD1 3.84Å; A66-L117 HydrophobicContact CB-CD2 4.09Å; A66-L117 HydrophobicContact CB-CG 4.48Å; L67-L117 HydrophobicContact CD2-CD1 3.96Å; L67-L117 HydrophobicContact CG-CD1 4.27Å; C77-L117 HydrophobicContact CB-CD2 3.93Å; M95-L117 HydrophobicContact CE-CB 3.84Å; N113-L117 WeakPolarHBondContact O-CG 3.26Å; N113-L117 PolarHBondContact O-N 2.81Å; L114-L117 PolarHBondContact O-N 3.34Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 3.42Å; L117-E120 PolarHBondContact O-N 2.91Å; L117-F121 HydrophobicContact CB-CE2 4.46Å; L117-F121 HydrophobicContact CD2-CZ 4.42Å; L117-F121 WeakPolarHBondContact O-CB 3.45Å; L117-F121 WeakPolarHBondContact O-CD2 3.35Å; L117-F121 VanDerWaalsContact O-CG 3.23Å; L117-F121 WeakPolarHBondContact O-CG 3.4Å; L117-F121 PolarHBondContact O-N 3.11Å |
| 118 | L | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 173.7 | 177.3 | 59.6 | 0 | 0 | 0 | 111.7 | L114 L115 S116 F121 I122 V129 L132 M133 V136 M156 L159 | L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 PolarHBondContact O-N 3.35Å; L115-L118 HydrophobicContact CD2-CD2 4.22Å; S116-L118 VanDerWaalsContact C-N 3.32Å; S116-L118 PolarHBondContact O-N 3.47Å; L118-F121 PolarHBondContact O-N 3.17Å; L118-I122 HydrophobicContact CD1-CD1 4.11Å; L118-I122 HydrophobicContact CD1-CG1 4.39Å; L118-I122 HydrophobicContact CG-CD1 4.03Å; L118-I122 WeakPolarHBondContact O-CB 3.35Å; L118-I122 WeakPolarHBondContact O-CD1 3.37Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.46Å; L118-V129 HydrophobicContact CD1-CB 4.23Å; L118-V129 HydrophobicContact CD1-CG1 4.3Å; L118-L132 HydrophobicContact CD1-CD2 3.86Å; L118-L132 HydrophobicContact CD1-CG 4.22Å; L118-M133 HydrophobicContact CD1-SD 3.89Å; L118-M133 HydrophobicContact CD2-SD 3.84Å; L118-M133 HydrophobicContact CG-SD 4.2Å; L118-V136 HydrophobicContact CD2-CG2 4.41Å; L118-M156 HydrophobicContact CD2-CE 4.44Å; L118-M156 HydrophobicContact CD2-SD 4.33Å; L118-L159 HydrophobicContact CD2-CD2 4.07Å; L118-L159 HydrophobicContact CG-CD2 4.11Å |
| 119 | G | 91.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L115 S116 L117 S123 | L115-G119 PolarHBondContact O-N 3.05Å; S116-G119 PolarHBondContact O-N 3.1Å; L117-G119 VanDerWaalsContact C-N 3.29Å; L117-G119 PolarHBondContact O-N 3.42Å; G119-S123 WeakPolarHBondContact O-CB 3.41Å; G119-S123 PolarHBondContact O-N 3.49Å; G119-S123 PolarHBondContact O-OG 3.47Å |
| 120 | E | 88.2 | Confident | 88.6 | Confident | 69 Ų | 69 | 31.6 Ų | 31.6 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.8 | -43 | 171.8 | -63 | -61.7 | 137.4 | 0 | 0 | 110.9 | H74 C77 S116 L117 S123 T124 | H74-E120 IonicContact CE1-OE1 2.72Å; H74-E120 PolarHBondContact CE1-OE1 3.09Å; H74-E120 IonicContact CE1-OE2 3.74Å; H74-E120 IonicContact ND1-OE2 2.74Å; C77-E120 WeakPolarHBondContact SG-CB 3.4Å; S116-E120 PolarHBondContact O-N 2.92Å; L117-E120 PolarHBondContact O-N 2.91Å; E120-S123 CarbonylContact O-C 3.56Å; E120-S123 WeakPolarHBondContact O-CA 3.42Å; E120-S123 VanDerWaalsContact O-CB 3.28Å; E120-S123 WeakPolarHBondContact O-CB 3.36Å; E120-S123 PolarHBondContact O-N 2.97Å; E120-T124 PolarHBondContact O-N 2.96Å; E120-T124 VanDerWaalsContact O-N 3.11Å |
| 121 | F | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 177 | -63.9 | -18.1 | 0 | 0 | 0 | 112.7 | C77 I80 V81 L88 V91 L92 M95 L117 L118 S123 T124 A127 V129 | C77-F121 VanDerWaalsContact SG-CE1 3.58Å; I80-F121 HydrophobicContact CG2-CE1 4.04Å; I80-F121 HydrophobicContact CG2-CZ 3.78Å; V81-F121 HydrophobicContact CG2-CD1 4.5Å; V81-F121 HydrophobicContact CG2-CE1 4.26Å; L88-F121 HydrophobicContact CD1-CB 4.41Å; L88-F121 HydrophobicContact CD1-CD1 3.68Å; L88-F121 HydrophobicContact CD1-CD2 4.45Å; L88-F121 HydrophobicContact CD1-CE1 4.01Å; L88-F121 HydrophobicContact CD1-CG 3.94Å; L88-F121 HydrophobicContact CD2-CE1 4.36Å; V91-F121 HydrophobicContact CG1-CE2 3.82Å; V91-F121 HydrophobicContact CG1-CZ 3.98Å; L92-F121 HydrophobicContact CD2-CD2 3.85Å; L92-F121 HydrophobicContact CD2-CE2 4.46Å; M95-F121 HydrophobicContact SD-CD2 4.04Å; M95-F121 HydrophobicContact SD-CE2 3.56Å; M95-F121 VanDerWaalsContact SD-CE2 3.56Å; L117-F121 HydrophobicContact CB-CE2 4.46Å; L117-F121 HydrophobicContact CD2-CZ 4.42Å; L117-F121 WeakPolarHBondContact O-CB 3.45Å; L117-F121 WeakPolarHBondContact O-CD2 3.35Å; L117-F121 VanDerWaalsContact O-CG 3.23Å; L117-F121 WeakPolarHBondContact O-CG 3.4Å; L117-F121 PolarHBondContact O-N 3.11Å; L118-F121 PolarHBondContact O-N 3.17Å; F121-S123 VanDerWaalsContact C-N 3.25Å; F121-S123 PolarHBondContact O-N 3.26Å; F121-T124 PolarHBondContact O-N 3Å; F121-T124 PolarHBondContact O-OG1 3.39Å; F121-A127 HydrophobicContact CB-CB 4.29Å; F121-V129 HydrophobicContact CB-CG1 4.34Å |
| 122 | I | 90.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -41.7 | 167.8 | -74.2 | 166 | 0 | 0 | 0 | 110.6 | L118 T124 K125 V129 M133 L159 N163 W166 | L118-I122 HydrophobicContact CD1-CD1 4.11Å; L118-I122 HydrophobicContact CD1-CG1 4.39Å; L118-I122 HydrophobicContact CG-CD1 4.03Å; L118-I122 WeakPolarHBondContact O-CB 3.35Å; L118-I122 WeakPolarHBondContact O-CD1 3.37Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.46Å; I122-T124 VanDerWaalsContact C-N 3.26Å; I122-T124 PolarHBondContact O-N 2.9Å; I122-K125 WeakPolarHBondContact O-CA 3.5Å; I122-K125 PolarHBondContact O-N 3.41Å; I122-V129 HydrophobicContact CG1-CG2 4.15Å; I122-M133 HydrophobicContact CD1-SD 4.14Å; I122-L159 HydrophobicContact CD1-CD1 4.36Å; I122-L159 HydrophobicContact CD1-CD2 4.11Å; I122-L159 HydrophobicContact CD1-CG 4.28Å; I122-N163 HydrophobicContact CG2-CB 3.78Å; I122-W166 HydrophobicContact CD1-CH2 4.27Å; I122-W166 HydrophobicContact CD1-CZ3 4.21Å; I122-W166 HydrophobicContact CG1-CH2 3.81Å; I122-W166 HydrophobicContact CG1-CZ2 4.07Å; I122-W166 HydrophobicContact CG1-CZ3 4.09Å; I122-W166 HydrophobicContact CG2-CD2 3.7Å; I122-W166 HydrophobicContact CG2-CE3 3.7Å; I122-W166 HydrophobicContact CG2-CG 4.19Å; I122-W166 HydrophobicContact CG2-CH2 4.34Å; I122-W166 HydrophobicContact CG2-CZ2 4.33Å; I122-W166 HydrophobicContact CG2-CZ3 4.03Å |
| 123 | S | 86.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 31.7 Ų | 31.7 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -23.8 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 113.7 | G119 E120 F121 K125 | G119-S123 WeakPolarHBondContact O-CB 3.41Å; G119-S123 PolarHBondContact O-N 3.49Å; G119-S123 PolarHBondContact O-OG 3.47Å; E120-S123 CarbonylContact O-C 3.56Å; E120-S123 WeakPolarHBondContact O-CA 3.42Å; E120-S123 VanDerWaalsContact O-CB 3.28Å; E120-S123 WeakPolarHBondContact O-CB 3.36Å; E120-S123 PolarHBondContact O-N 2.97Å; F121-S123 VanDerWaalsContact C-N 3.25Å; F121-S123 PolarHBondContact O-N 3.26Å; S123-K125 PolarHBondContact O-N 2.67Å |
| 124 | T | 83.2 | Confident | 88.7 | Confident | 49 Ų | 49 | 32.9 Ų | 32.9 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.3 | 170.8 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | V81 E120 F121 I122 T126 | V81-T124 HydrophobicContact CG2-CG2 4.28Å; E120-T124 PolarHBondContact O-N 2.96Å; E120-T124 VanDerWaalsContact O-N 3.11Å; F121-T124 PolarHBondContact O-N 3Å; F121-T124 PolarHBondContact O-OG1 3.39Å; I122-T124 VanDerWaalsContact C-N 3.26Å; I122-T124 PolarHBondContact O-N 2.9Å; T124-T126 PolarHBondContact O-N 3.43Å |
| 125 | K | 77.4 | Confident | 88.7 | Confident | 144 Ų | 144 | 34.5 Ų | 34.5 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 64.6 | -36.1 | -176.8 | -53.5 | -177.3 | -178.6 | -178.6 | 0 | 116.3 | I122 S123 R172 | I122-K125 WeakPolarHBondContact O-CA 3.5Å; I122-K125 PolarHBondContact O-N 3.41Å; S123-K125 PolarHBondContact O-N 2.67Å; K125-R172 PolarHBondContact O-NH2 3.42Å; K125-R172 VanDerWaalsContact O-NH2 3.08Å |
| 126 | T | 75.5 | Confident | 88.7 | Confident | 87 Ų | 87 | 33.8 Ų | 33.8 | 53% | 0.534 | 19% | 0.193 | S | C | . | . | trans | -80.3 | -12.7 | -176.6 | 61 | 0 | 0 | 0 | 0 | 114.5 | N87 T124 | N87-T126 PolarHBondContact ND2-O 3.09Å; N87-T126 PolarHBondContact OD1-OG1 3.39Å; T124-T126 PolarHBondContact O-N 3.43Å | ||
| 127 | A | 82.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | trans | -71.7 | 127.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L88 L92 F121 V129 | L88-A127 HydrophobicContact CD1-CB 4.09Å; L92-A127 HydrophobicContact CD1-CB 4.31Å; F121-A127 HydrophobicContact CB-CB 4.29Å; A127-V129 VanDerWaalsContact C-N 3.26Å; A127-V129 HydrophobicContact CB-CG1 3.88Å; A127-V129 PolarHBondContact O-N 3.08Å | ||
| 128 | S | 87 | Confident | 89 | Confident | 69 Ų | 69 | 31.5 Ų | 31.5 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | trans | -79.5 | 67.8 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | E130 | S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 WeakPolarHBondContact CA-OE2 3.32Å; S128-E130 PolarHBondContact O-N 3.2Å | ||
| 129 | V | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -77.1 | -2.6 | -175 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | L92 L118 F121 I122 A127 V131 L132 M133 W166 | L92-V129 HydrophobicContact CD1-CG1 4.47Å; L92-V129 HydrophobicContact CD2-CG1 3.95Å; L118-V129 HydrophobicContact CD1-CB 4.23Å; L118-V129 HydrophobicContact CD1-CG1 4.3Å; F121-V129 HydrophobicContact CB-CG1 4.34Å; I122-V129 HydrophobicContact CG1-CG2 4.15Å; A127-V129 VanDerWaalsContact C-N 3.26Å; A127-V129 HydrophobicContact CB-CG1 3.88Å; A127-V129 PolarHBondContact O-N 3.08Å; V129-V131 VanDerWaalsContact C-N 3.31Å; V129-V131 PolarHBondContact O-N 3.19Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 3.28Å; V129-M133 HydrophobicContact CB-CG 4.26Å; V129-M133 HydrophobicContact CG2-CG 3.87Å; V129-M133 WeakPolarHBondContact O-CG 3.36Å; V129-M133 PolarHBondContact O-N 3.49Å; V129-W166 HydrophobicContact CG2-CH2 3.51Å; V129-W166 HydrophobicContact CG2-CZ2 3.57Å | ||
| 130 | E | 90 | Very high | 89.1 | Confident | 35 Ų | 35 | 32.2 Ų | 32.2 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | -168 | -64.5 | 86.1 | 167.6 | 0 | 0 | 113.4 | S128 L134 R172 F175 L176 | S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 WeakPolarHBondContact CA-OE2 3.32Å; S128-E130 PolarHBondContact O-N 3.2Å; E130-L134 WeakPolarHBondContact O-CB 3.28Å; E130-L134 PolarHBondContact O-N 3.02Å; E130-R172 VanDerWaalsContact OE1-CD 3.23Å; E130-R172 WeakPolarHBondContact OE1-CD 3.4Å; E130-R172 IonicContact OE1-CZ 3.17Å; E130-R172 IonicContact OE1-NE 2.69Å; E130-R172 PolarHBondContact OE1-NE 3.01Å; E130-R172 IonicContact OE1-NH1 3.21Å; E130-R172 PolarHBondContact OE1-NH1 3.08Å; E130-F175 HydrophobicContact CB-CD1 4.44Å; E130-L176 HydrophobicContact CG-CB 4.34Å; E130-L176 HydrophobicContact CG-CD2 4.45Å |
| 131 | V | 90.4 | Very high | 89.3 | Confident | 73 Ų | 73 | 30 Ų | 30 | 44% | 0.442 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.4 | -37 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | T96 V129 H135 | T96-V131 HydrophobicContact CG2-CG1 4.02Å; V129-V131 VanDerWaalsContact C-N 3.31Å; V129-V131 PolarHBondContact O-N 3.19Å; V131-H135 PolarHBondContact O-N 3.21Å; V131-H135 VanDerWaalsContact O-N 3.15Å; V131-H135 PolarHBondContact O-ND1 3.22Å |
| 132 | L | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 175.2 | 176.3 | 55.4 | 0 | 0 | 0 | 110.6 | L92 M95 V99 L118 V129 L134 H135 V136 | L92-L132 HydrophobicContact CD2-CD2 3.93Å; M95-L132 HydrophobicContact CB-CD1 4.02Å; M95-L132 HydrophobicContact CB-CD2 3.86Å; M95-L132 HydrophobicContact CE-CD2 3.99Å; M95-L132 HydrophobicContact SD-CD2 4.11Å; V99-L132 HydrophobicContact CB-CD1 4.47Å; V99-L132 HydrophobicContact CG2-CD1 3.87Å; L118-L132 HydrophobicContact CD1-CD2 3.86Å; L118-L132 HydrophobicContact CD1-CG 4.22Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 3.28Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.86Å; L132-H135 PolarHBondContact O-N 3.24Å; L132-H135 VanDerWaalsContact O-N 3.08Å; L132-V136 HydrophobicContact CD1-CG2 4.36Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.24Å |
| 133 | M | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 174.6 | -68.8 | -65.5 | -67.9 | 0 | 0 | 111.6 | L118 I122 V129 H135 V136 Y137 M156 L160 L176 | L118-M133 HydrophobicContact CD1-SD 3.89Å; L118-M133 HydrophobicContact CD2-SD 3.84Å; L118-M133 HydrophobicContact CG-SD 4.2Å; I122-M133 HydrophobicContact CD1-SD 4.14Å; V129-M133 HydrophobicContact CB-CG 4.26Å; V129-M133 HydrophobicContact CG2-CG 3.87Å; V129-M133 WeakPolarHBondContact O-CG 3.36Å; V129-M133 PolarHBondContact O-N 3.49Å; M133-H135 VanDerWaalsContact C-N 3.32Å; M133-H135 PolarHBondContact O-N 2.72Å; M133-V136 PolarHBondContact O-N 3.4Å; M133-Y137 HydrophobicContact CE-CE1 3.98Å; M133-Y137 HydrophobicContact CE-CE2 4.43Å; M133-Y137 VanDerWaalsContact CE-OH 3.25Å; M133-Y137 WeakPolarHBondContact CE-OH 3.32Å; M133-Y137 WeakPolarHBondContact O-CB 3.24Å; M133-Y137 VanDerWaalsContact O-CG 3.26Å; M133-Y137 PolarHBondContact O-N 3.11Å; M133-M156 HydrophobicContact CE-CE 3.64Å; M133-M156 HydrophobicContact SD-CE 4.07Å; M133-L160 HydrophobicContact CE-CD2 3.94Å; M133-L176 HydrophobicContact CB-CD1 3.63Å; M133-L176 HydrophobicContact CG-CD1 4.06Å; M133-L176 HydrophobicContact CG-CD2 4.4Å |
| 134 | L | 92.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 174.4 | 179 | 147.5 | 0 | 0 | 0 | 111.9 | E130 L132 V136 Y137 R138 F175 L179 T287 | E130-L134 WeakPolarHBondContact O-CB 3.28Å; E130-L134 PolarHBondContact O-N 3.02Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.86Å; L134-V136 PolarHBondContact O-N 3.1Å; L134-Y137 PolarHBondContact O-N 3.37Å; L134-R138 HydrophobicContact CD2-CG 4.41Å; L134-R138 WeakPolarHBondContact O-CG 3.46Å; L134-R138 PolarHBondContact O-N 2.95Å; L134-F175 HydrophobicContact CD1-CZ 3.91Å; L134-L179 HydrophobicContact CB-CD2 4.01Å; L134-L179 HydrophobicContact CD1-CD2 4.06Å; L134-L179 HydrophobicContact CG-CD2 4.24Å; L134-T287 HydrophobicContact CD1-CG2 4.09Å; L134-T287 HydrophobicContact CG-CG2 3.99Å |
| 135 | H | 91.7 | Very high | 89.6 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.5 | -33.4 | 179 | -75.7 | 82.5 | 0 | 0 | 0 | 112.8 | T96 V99 V131 L132 M133 R138 R139 | T96-H135 HydrophobicContact CG2-CB 4.47Å; T96-H135 WeakPolarHBondContact CG2-ND1 3.31Å; V99-H135 HydrophobicContact CB-CB 4.33Å; V99-H135 HydrophobicContact CG1-CB 3.92Å; V131-H135 PolarHBondContact O-N 3.21Å; V131-H135 VanDerWaalsContact O-N 3.15Å; V131-H135 PolarHBondContact O-ND1 3.22Å; L132-H135 PolarHBondContact O-N 3.24Å; L132-H135 VanDerWaalsContact O-N 3.08Å; M133-H135 VanDerWaalsContact C-N 3.32Å; M133-H135 PolarHBondContact O-N 2.72Å; H135-R138 PolarHBondContact O-N 2.99Å; H135-R139 PolarHBondContact O-N 3.44Å |
| 136 | V | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | V99 L115 L118 L132 M133 L134 R138 R139 M140 L152 M156 | V99-V136 HydrophobicContact CG1-CG2 4.06Å; V99-V136 HydrophobicContact CG2-CG2 4.19Å; L115-V136 HydrophobicContact CD2-CG1 4.37Å; L118-V136 HydrophobicContact CD2-CG2 4.41Å; L132-V136 HydrophobicContact CD1-CG2 4.36Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.24Å; M133-V136 PolarHBondContact O-N 3.4Å; L134-V136 PolarHBondContact O-N 3.1Å; V136-R138 PolarHBondContact O-N 3.33Å; V136-R139 WeakPolarHBondContact O-CA 3.22Å; V136-R139 WeakPolarHBondContact O-CB 3.49Å; V136-R139 PolarHBondContact O-N 2.99Å; V136-M140 PolarHBondContact O-N 3.15Å; V136-L152 HydrophobicContact CG1-CD1 4.08Å; V136-M156 HydrophobicContact CG1-CE 3.88Å; V136-M156 HydrophobicContact CG1-CG 3.93Å; V136-M156 HydrophobicContact CG1-SD 3.65Å |
| 137 | Y | 94.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -30 | 173.1 | -66.5 | -19.3 | 0 | 0 | 0 | 112.9 | M133 L134 R139 M140 M156 L160 L176 L179 T180 T183 R186 | M133-Y137 HydrophobicContact CE-CE1 3.98Å; M133-Y137 HydrophobicContact CE-CE2 4.43Å; M133-Y137 VanDerWaalsContact CE-OH 3.25Å; M133-Y137 WeakPolarHBondContact CE-OH 3.32Å; M133-Y137 WeakPolarHBondContact O-CB 3.24Å; M133-Y137 VanDerWaalsContact O-CG 3.26Å; M133-Y137 PolarHBondContact O-N 3.11Å; L134-Y137 PolarHBondContact O-N 3.37Å; Y137-R139 PolarHBondContact O-N 2.78Å; Y137-M140 HydrophobicContact CD1-SD 3.7Å; Y137-M140 HydrophobicContact CE1-SD 4.32Å; Y137-M140 PolarHBondContact O-N 2.71Å; Y137-M156 HydrophobicContact CD1-CE 4.35Å; Y137-M156 HydrophobicContact CE1-CE 3.79Å; Y137-L160 HydrophobicContact CE1-CD1 4.26Å; Y137-L160 WeakPolarHBondContact OH-CD2 3.37Å; Y137-L176 HydrophobicContact CE2-CD1 4.18Å; Y137-L179 HydrophobicContact CD2-CD2 4.02Å; Y137-L179 HydrophobicContact CD2-CG 3.86Å; Y137-L179 HydrophobicContact CE2-CD2 4.43Å; Y137-L179 HydrophobicContact CE2-CG 4.2Å; Y137-T180 WeakPolarHBondContact OH-CG2 3.45Å; Y137-T180 PolarHBondContact OH-OG1 3.37Å; Y137-T183 HydrophobicContact CD1-CG2 4.19Å; Y137-T183 HydrophobicContact CG-CG2 4.02Å; Y137-R186 PolarHBondContact O-NH2 3.03Å |
| 138 | R | 92.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 2.1 | 170.1 | -67.4 | -165.4 | 79.7 | 178.4 | 13.8 | 114.8 | L134 H135 V136 Q286 T287 I289 P290 E294 | L134-R138 HydrophobicContact CD2-CG 4.41Å; L134-R138 WeakPolarHBondContact O-CG 3.46Å; L134-R138 PolarHBondContact O-N 2.95Å; H135-R138 PolarHBondContact O-N 2.99Å; V136-R138 PolarHBondContact O-N 3.33Å; R138-Q286 PolarHBondContact NH2-O 3Å; R138-T287 HydrophobicContact CG-CG2 3.89Å; R138-I289 PolarHBondContact NE-O 2.89Å; R138-I289 VanDerWaalsContact NE-O 3.11Å; R138-I289 PolarHBondContact NH2-O 3.13Å; R138-P290 WeakPolarHBondContact O-CA 3.27Å; R138-E294 IonicContact CZ-OE1 2.65Å; R138-E294 IonicContact CZ-OE2 2.73Å; R138-E294 IonicContact NH1-OE1 2.7Å; R138-E294 PolarHBondContact NH1-OE1 3.19Å; R138-E294 IonicContact NH1-OE2 3.13Å; R138-E294 PolarHBondContact NH1-OE2 2.84Å; R138-E294 IonicContact NH2-OE1 3.39Å; R138-E294 IonicContact NH2-OE2 2.78Å; R138-E294 PolarHBondContact NH2-OE2 3.31Å |
| 139 | R | 93.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -24 | 165.1 | -62.9 | -55.1 | -172.6 | 174.7 | 0.8 | 112.8 | V99 A100 W103 H135 V136 Y137 T141 N149 L152 E292 | V99-R139 HydrophobicContact CG1-CG 4.01Å; V99-R139 PolarHBondContact O-NE 3.1Å; V99-R139 PolarHBondContact O-NH2 3.39Å; A100-R139 PolarHBondContact O-NH2 3.04Å; W103-R139 HydrophobicContact CB-CG 4.34Å; W103-R139 HydrophobicContact CD2-CG 4.13Å; W103-R139 HydrophobicContact CG-CG 3.8Å; H135-R139 PolarHBondContact O-N 3.44Å; V136-R139 WeakPolarHBondContact O-CA 3.22Å; V136-R139 WeakPolarHBondContact O-CB 3.49Å; V136-R139 PolarHBondContact O-N 2.99Å; Y137-R139 PolarHBondContact O-N 2.78Å; R139-T141 PolarHBondContact O-N 3Å; R139-T141 PolarHBondContact O-OG1 2.77Å; R139-N149 PolarHBondContact O-OD1 3.39Å; R139-L152 HydrophobicContact CB-CD2 3.64Å; R139-E292 IonicContact NH1-OE2 3.65Å |
| 140 | M | 94.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.3 | 92.6 | 171.6 | -65.3 | 163.2 | 62.2 | 0 | 0 | 109.9 | V136 Y137 L152 I153 M156 T183 L184 R186 L187 | V136-M140 PolarHBondContact O-N 3.15Å; Y137-M140 HydrophobicContact CD1-SD 3.7Å; Y137-M140 HydrophobicContact CE1-SD 4.32Å; Y137-M140 PolarHBondContact O-N 2.71Å; M140-L152 HydrophobicContact CG-CD2 3.79Å; M140-L152 HydrophobicContact CG-CG 3.84Å; M140-I153 HydrophobicContact CB-CG1 3.93Å; M140-I153 HydrophobicContact CE-CB 4.32Å; M140-I153 HydrophobicContact CE-CG1 4.04Å; M140-I153 HydrophobicContact CE-CG2 4.11Å; M140-I153 HydrophobicContact CG-CG1 3.8Å; M140-M156 HydrophobicContact CE-CB 4.21Å; M140-M156 HydrophobicContact SD-CB 3.9Å; M140-M156 HydrophobicContact SD-CG 3.87Å; M140-T183 HydrophobicContact CE-CG2 4.24Å; M140-L184 HydrophobicContact CE-CD2 4.24Å; M140-R186 PolarHBondContact O-NH1 2.96Å; M140-R186 PolarHBondContact O-NH2 2.87Å; M140-L187 HydrophobicContact CB-CD1 3.88Å; M140-L187 HydrophobicContact CE-CD1 3.71Å |
| 141 | T | 91.4 | Very high | 91.7 | Very high | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.141 | 17% | 0.165 | C | C | . | . | trans | -92.4 | 139.7 | -166.6 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | R139 D144 N149 L187 P290 L332 | R139-T141 PolarHBondContact O-N 3Å; R139-T141 PolarHBondContact O-OG1 2.77Å; T141-D144 HydrophobicContact CG2-CB 3.97Å; T141-N149 PolarHBondContact N-OD1 3.49Å; T141-N149 PolarHBondContact O-ND2 2.98Å; T141-L187 WeakPolarHBondContact O-CD2 3.39Å; T141-P290 HydrophobicContact CG2-CG 3.69Å; T141-P290 WeakPolarHBondContact OG1-CG 3.3Å; T141-L332 HydrophobicContact CG2-CD1 4.48Å | ||
| 142 | T | 91.3 | Very high | 92 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 144.1 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | D144 R186 D190 S331 L332 C335 | T142-D144 VanDerWaalsContact C-N 3.29Å; T142-D144 PolarHBondContact O-N 3.46Å; T142-R186 HydrophobicContact CG2-CG 4.12Å; T142-D190 WeakPolarHBondContact CA-OD2 3.38Å; T142-D190 VanDerWaalsContact CB-OD2 3.22Å; T142-D190 WeakPolarHBondContact CB-OD2 3.35Å; T142-D190 PolarHBondContact OG1-OD2 3.2Å; T142-S331 WeakPolarHBondContact OG1-CB 3.44Å; T142-S331 PolarHBondContact OG1-OG 3.43Å; T142-L332 HydrophobicContact CG2-CB 4.43Å; T142-L332 HydrophobicContact CG2-CD1 3.7Å; T142-C335 HydrophobicContact CG2-CB 4.3Å |
| 143 | G | 88 | Confident | 92.1 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 18.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D190 E328 S329 S331 | G143-D190 PolarHBondContact N-OD2 3.47Å; G143-E328 VanDerWaalsContact CA-O 3.28Å; G143-E328 WeakPolarHBondContact CA-O 3.35Å; G143-S329 PolarHBondContact O-N 3.27Å; G143-S331 WeakPolarHBondContact CA-OG 3.3Å; G143-S331 PolarHBondContact N-OG 3.08Å |
| 144 | D | 88.9 | Confident | 92.2 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 15% | 0.152 | S | C | . | . | trans | -125.1 | 97.7 | 177.9 | 176 | 5.9 | 0 | 0 | 0 | 110.1 | T141 T142 S146 N149 | T141-D144 HydrophobicContact CG2-CB 3.97Å; T142-D144 VanDerWaalsContact C-N 3.29Å; T142-D144 PolarHBondContact O-N 3.46Å; D144-S146 VanDerWaalsContact C-N 3.28Å; D144-S146 PolarHBondContact O-N 3.41Å; D144-S146 WeakPolarHBondContact OD1-CB 3.31Å; D144-S146 PolarHBondContact OD1-N 3.2Å; D144-S146 PolarHBondContact OD1-OG 2.82Å; D144-S146 PolarHBondContact OD2-OG 2.84Å; D144-N149 HydrophobicContact CB-CB 4.46Å; D144-N149 PolarHBondContact O-ND2 3.27Å; D144-N149 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 145 | I | 89.9 | Confident | 92.4 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 32% | 0.323 | 16% | 0.157 | S | C | . | . | trans | -90.2 | 20.4 | 176.2 | 62.4 | 168.3 | 0 | 0 | 0 | 113 | L150 E328 | I145-L150 WeakPolarHBondContact O-CD1 3.25Å; I145-E328 HydrophobicContact CD1-CG 3.83Å; I145-E328 HydrophobicContact CG1-CG 3.97Å; I145-E328 HydrophobicContact CG2-CG 4.26Å | ||
| 146 | S | 88.2 | Confident | 92.6 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | trans | -62.5 | 145.7 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | D144 Q148 N149 L150 | D144-S146 VanDerWaalsContact C-N 3.28Å; D144-S146 PolarHBondContact O-N 3.41Å; D144-S146 WeakPolarHBondContact OD1-CB 3.31Å; D144-S146 PolarHBondContact OD1-N 3.2Å; D144-S146 PolarHBondContact OD1-OG 2.82Å; D144-S146 PolarHBondContact OD2-OG 2.84Å; S146-Q148 PolarHBondContact O-N 3.38Å; S146-N149 PolarHBondContact O-N 3.43Å; S146-N149 PolarHBondContact OG-N 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.3Å; S146-L150 PolarHBondContact O-N 2.8Å | ||
| 147 | P | 89.4 | Confident | 92.7 | Very high | 97 Ų | 97 | 27.8 Ų | 27.8 | 63% | 0.63 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -55.8 | -27.2 | 178.4 | -27.6 | 35.6 | 0 | 0 | 0 | 114 | W151 | P147-W151 WeakPolarHBondContact O-CB 3.13Å; P147-W151 PolarHBondContact O-N 2.94Å |
| 148 | Q | 89.8 | Confident | 92.8 | Very high | 108 Ų | 108 | 31.5 Ų | 31.5 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -75.7 | -37.3 | 178.2 | -63.7 | 77.8 | 12.8 | 0 | 0 | 112.7 | S146 L152 | S146-Q148 PolarHBondContact O-N 3.38Å; Q148-L152 PolarHBondContact O-N 2.95Å |
| 149 | N | 92.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74 | -45.5 | 174.7 | -171.4 | 53 | 0 | 0 | 0 | 110.6 | R139 T141 D144 S146 W151 L152 I153 | R139-N149 PolarHBondContact O-OD1 3.39Å; T141-N149 PolarHBondContact N-OD1 3.49Å; T141-N149 PolarHBondContact O-ND2 2.98Å; D144-N149 HydrophobicContact CB-CB 4.46Å; D144-N149 PolarHBondContact O-ND2 3.27Å; D144-N149 WeakPolarHBondContact OD2-CB 3.48Å; S146-N149 PolarHBondContact O-N 3.43Å; S146-N149 PolarHBondContact OG-N 3.25Å; N149-W151 PolarHBondContact O-N 2.92Å; N149-L152 WeakPolarHBondContact O-CB 3.3Å; N149-L152 PolarHBondContact O-N 3.39Å; N149-L152 VanDerWaalsContact O-N 3.12Å; N149-I153 VanDerWaalsContact O-CG1 3.32Å; N149-I153 WeakPolarHBondContact O-CG1 3.41Å; N149-I153 PolarHBondContact O-N 2.63Å |
| 150 | L | 93.4 | Very high | 93 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 175.9 | -65.5 | 178.7 | 0 | 0 | 0 | 112.4 | I145 S146 L152 I153 D154 L209 L212 | I145-L150 WeakPolarHBondContact O-CD1 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.3Å; S146-L150 PolarHBondContact O-N 2.8Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.88Å; L150-I153 PolarHBondContact O-N 3.02Å; L150-D154 WeakPolarHBondContact O-CB 3.47Å; L150-D154 PolarHBondContact O-N 2.95Å; L150-L209 HydrophobicContact CD1-CD1 4.01Å; L150-L209 HydrophobicContact CD2-CD1 3.59Å; L150-L209 HydrophobicContact CG-CD1 4.47Å; L150-L212 HydrophobicContact CD2-CD2 4.13Å |
| 151 | W | 94.6 | Very high | 93 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 25% | 0.254 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.9 | 166.6 | 77.7 | 0 | 0 | 0 | 112.6 | W103 Q108 R111 C112 L115 P147 N149 S155 | W103-W151 HydrophobicContact CH2-CZ3 4.47Å; W103-W151 HydrophobicContact CZ2-CZ3 4.4Å; Q108-W151 VanDerWaalsContact NE2-CE2 3.29Å; Q108-W151 VanDerWaalsContact NE2-CZ3 3.27Å; R111-W151 HydrophobicContact CB-CH2 3.68Å; R111-W151 HydrophobicContact CB-CZ3 3.82Å; C112-W151 HydrophobicContact CB-CZ2 4.43Å; C112-W151 WeakPolarHBondContact SG-CZ2 3.5Å; L115-W151 HydrophobicContact CD1-CH2 3.54Å; L115-W151 HydrophobicContact CD1-CZ2 3.98Å; L115-W151 HydrophobicContact CD1-CZ3 4.19Å; L115-W151 HydrophobicContact CG-CH2 4.34Å; P147-W151 WeakPolarHBondContact O-CB 3.13Å; P147-W151 PolarHBondContact O-N 2.94Å; N149-W151 PolarHBondContact O-N 2.92Å; W151-S155 PolarHBondContact NE1-OG 3.27Å; W151-S155 VanDerWaalsContact NE1-OG 3.17Å; W151-S155 VanDerWaalsContact O-CB 3.25Å; W151-S155 WeakPolarHBondContact O-CB 3.23Å; W151-S155 PolarHBondContact O-N 3.13Å; W151-S155 PolarHBondContact O-OG 3.23Å |
| 152 | L | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.1 | 172.2 | 61.9 | 0 | 0 | 0 | 110.5 | W103 L115 V136 R139 M140 Q148 N149 L150 M156 | W103-L152 HydrophobicContact CH2-CD1 3.86Å; W103-L152 HydrophobicContact CZ2-CD1 3.73Å; W103-L152 HydrophobicContact CZ2-CD2 3.79Å; W103-L152 HydrophobicContact CZ2-CG 4.23Å; L115-L152 HydrophobicContact CD1-CD1 3.93Å; L115-L152 HydrophobicContact CD2-CD1 4.3Å; V136-L152 HydrophobicContact CG1-CD1 4.08Å; R139-L152 HydrophobicContact CB-CD2 3.64Å; M140-L152 HydrophobicContact CG-CD2 3.79Å; M140-L152 HydrophobicContact CG-CG 3.84Å; Q148-L152 PolarHBondContact O-N 2.95Å; N149-L152 WeakPolarHBondContact O-CB 3.3Å; N149-L152 PolarHBondContact O-N 3.39Å; N149-L152 VanDerWaalsContact O-N 3.12Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.88Å; L152-M156 HydrophobicContact CD1-CG 3.96Å; L152-M156 WeakPolarHBondContact O-CB 3.33Å; L152-M156 VanDerWaalsContact O-CG 3.26Å; L152-M156 WeakPolarHBondContact O-CG 3.39Å; L152-M156 PolarHBondContact O-N 3.45Å |
| 153 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | -179.4 | -63.5 | 166.2 | 0 | 0 | 0 | 110 | M140 N149 L150 S155 M156 V157 L187 L212 E216 | M140-I153 HydrophobicContact CB-CG1 3.93Å; M140-I153 HydrophobicContact CE-CB 4.32Å; M140-I153 HydrophobicContact CE-CG1 4.04Å; M140-I153 HydrophobicContact CE-CG2 4.11Å; M140-I153 HydrophobicContact CG-CG1 3.8Å; N149-I153 VanDerWaalsContact O-CG1 3.32Å; N149-I153 WeakPolarHBondContact O-CG1 3.41Å; N149-I153 PolarHBondContact O-N 2.63Å; L150-I153 PolarHBondContact O-N 3.02Å; I153-S155 PolarHBondContact O-N 3.08Å; I153-M156 PolarHBondContact O-N 2.83Å; I153-M156 VanDerWaalsContact O-N 3.13Å; I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.36Å; I153-V157 PolarHBondContact O-N 2.99Å; I153-L187 HydrophobicContact CD1-CD1 4.18Å; I153-L187 HydrophobicContact CD1-CD2 3.99Å; I153-L187 HydrophobicContact CG1-CD1 4.29Å; I153-L212 HydrophobicContact CG2-CD1 4.17Å; I153-L212 HydrophobicContact CG2-CD2 4.25Å; I153-E216 WeakPolarHBondContact CG2-OE1 3.47Å |
| 154 | D | 95.2 | Very high | 93.5 | Very high | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.6 | -164.2 | 41 | 0 | 0 | 0 | 112 | L150 M156 V157 D158 H208 L212 K215 | L150-D154 WeakPolarHBondContact O-CB 3.47Å; L150-D154 PolarHBondContact O-N 2.95Å; D154-M156 VanDerWaalsContact C-N 3.33Å; D154-M156 PolarHBondContact O-N 3.22Å; D154-V157 PolarHBondContact O-N 2.92Å; D154-D158 PolarHBondContact O-N 3.01Å; D154-H208 IonicContact OD2-CE1 2.82Å; D154-H208 PolarHBondContact OD2-CE1 2.83Å; D154-H208 IonicContact OD2-NE2 3.78Å; D154-L212 HydrophobicContact CB-CD1 3.92Å; D154-K215 IonicContact OD1-NZ 3.5Å; D154-K215 PolarHBondContact OD1-NZ 3.17Å; D154-K215 IonicContact OD2-NZ 3.31Å |
| 155 | S | 95.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | W151 I153 L159 | W151-S155 PolarHBondContact NE1-OG 3.27Å; W151-S155 VanDerWaalsContact NE1-OG 3.17Å; W151-S155 VanDerWaalsContact O-CB 3.25Å; W151-S155 WeakPolarHBondContact O-CB 3.23Å; W151-S155 PolarHBondContact O-N 3.13Å; W151-S155 PolarHBondContact O-OG 3.23Å; I153-S155 PolarHBondContact O-N 3.08Å; S155-L159 VanDerWaalsContact O-CB 3.3Å; S155-L159 WeakPolarHBondContact O-CB 3.43Å; S155-L159 PolarHBondContact O-N 3.02Å |
| 156 | M | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.4 | -36.6 | 176.4 | -74.6 | -60.3 | -62.9 | 0 | 0 | 112 | L115 L118 M133 V136 Y137 M140 L152 I153 D154 L159 L160 | L115-M156 HydrophobicContact CD2-SD 3.78Å; L118-M156 HydrophobicContact CD2-CE 4.44Å; L118-M156 HydrophobicContact CD2-SD 4.33Å; M133-M156 HydrophobicContact CE-CE 3.64Å; M133-M156 HydrophobicContact SD-CE 4.07Å; V136-M156 HydrophobicContact CG1-CE 3.88Å; V136-M156 HydrophobicContact CG1-CG 3.93Å; V136-M156 HydrophobicContact CG1-SD 3.65Å; Y137-M156 HydrophobicContact CD1-CE 4.35Å; Y137-M156 HydrophobicContact CE1-CE 3.79Å; M140-M156 HydrophobicContact CE-CB 4.21Å; M140-M156 HydrophobicContact SD-CB 3.9Å; M140-M156 HydrophobicContact SD-CG 3.87Å; L152-M156 HydrophobicContact CD1-CG 3.96Å; L152-M156 WeakPolarHBondContact O-CB 3.33Å; L152-M156 VanDerWaalsContact O-CG 3.26Å; L152-M156 WeakPolarHBondContact O-CG 3.39Å; L152-M156 PolarHBondContact O-N 3.45Å; I153-M156 PolarHBondContact O-N 2.83Å; I153-M156 VanDerWaalsContact O-N 3.13Å; D154-M156 VanDerWaalsContact C-N 3.33Å; D154-M156 PolarHBondContact O-N 3.22Å; M156-L159 HydrophobicContact CE-CD2 4.39Å; M156-L159 PolarHBondContact O-N 3.34Å; M156-L159 HydrophobicContact SD-CD2 4Å; M156-L160 WeakPolarHBondContact O-CB 3.45Å; M156-L160 WeakPolarHBondContact O-CD1 3.23Å; M156-L160 WeakPolarHBondContact O-CG 3.46Å; M156-L160 PolarHBondContact O-N 3.13Å |
| 157 | V | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 174.5 | 171 | 0 | 0 | 0 | 0 | 110.5 | I153 D154 L159 L160 E161 L184 L212 K215 E216 L219 | I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.36Å; I153-V157 PolarHBondContact O-N 2.99Å; D154-V157 PolarHBondContact O-N 2.92Å; V157-L159 PolarHBondContact O-N 3.49Å; V157-L160 PolarHBondContact O-N 3.3Å; V157-E161 VanDerWaalsContact O-CB 3.29Å; V157-E161 WeakPolarHBondContact O-CB 3.45Å; V157-E161 PolarHBondContact O-N 3.38Å; V157-L184 HydrophobicContact CG2-CD2 3.99Å; V157-L212 HydrophobicContact CG2-CD1 4.37Å; V157-K215 HydrophobicContact CG1-CB 3.76Å; V157-E216 HydrophobicContact CG2-CG 3.73Å; V157-L219 HydrophobicContact CG1-CD2 4.2Å |
| 158 | D | 95.7 | Very high | 93.9 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 174.4 | -75.7 | -34.1 | 0 | 0 | 0 | 112.7 | D154 L160 K162 K215 | D154-D158 PolarHBondContact O-N 3.01Å; D158-L160 VanDerWaalsContact C-N 3.34Å; D158-K162 VanDerWaalsContact O-CB 3.28Å; D158-K162 WeakPolarHBondContact O-CB 3.39Å; D158-K162 PolarHBondContact O-N 3.48Å; D158-K215 WeakPolarHBondContact OD1-CE 3.04Å; D158-K215 IonicContact OD1-NZ 3.71Å; D158-K215 PolarHBondContact OD1-NZ 2.76Å; D158-K215 IonicContact OD2-NZ 2.71Å; D158-K215 PolarHBondContact OD2-NZ 2.72Å |
| 159 | L | 95.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 175.9 | 178 | 60.7 | 0 | 0 | 0 | 112.2 | L118 I122 S155 M156 V157 N163 | L118-L159 HydrophobicContact CD2-CD2 4.07Å; L118-L159 HydrophobicContact CG-CD2 4.11Å; I122-L159 HydrophobicContact CD1-CD1 4.36Å; I122-L159 HydrophobicContact CD1-CD2 4.11Å; I122-L159 HydrophobicContact CD1-CG 4.28Å; S155-L159 VanDerWaalsContact O-CB 3.3Å; S155-L159 WeakPolarHBondContact O-CB 3.43Å; S155-L159 PolarHBondContact O-N 3.02Å; M156-L159 HydrophobicContact CE-CD2 4.39Å; M156-L159 PolarHBondContact O-N 3.34Å; M156-L159 HydrophobicContact SD-CD2 4Å; V157-L159 PolarHBondContact O-N 3.49Å; L159-N163 WeakPolarHBondContact O-CB 3.33Å; L159-N163 PolarHBondContact O-N 3Å; L159-N163 PolarHBondContact O-ND2 3.26Å |
| 160 | L | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.6 | -43.5 | 178.6 | -70.7 | 164.1 | 0 | 0 | 0 | 111.8 | M133 Y137 M156 V157 D158 K162 N163 K164 L167 T180 L219 | M133-L160 HydrophobicContact CE-CD2 3.94Å; Y137-L160 HydrophobicContact CE1-CD1 4.26Å; Y137-L160 WeakPolarHBondContact OH-CD2 3.37Å; M156-L160 WeakPolarHBondContact O-CB 3.45Å; M156-L160 WeakPolarHBondContact O-CD1 3.23Å; M156-L160 WeakPolarHBondContact O-CG 3.46Å; M156-L160 PolarHBondContact O-N 3.13Å; V157-L160 PolarHBondContact O-N 3.3Å; D158-L160 VanDerWaalsContact C-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.35Å; L160-N163 CarbonylContact O-C 3.26Å; L160-N163 VanDerWaalsContact O-C 3.29Å; L160-N163 PolarHBondContact O-N 3.28Å; L160-K164 WeakPolarHBondContact O-CA 3.45Å; L160-K164 PolarHBondContact O-N 2.84Å; L160-L167 HydrophobicContact CD2-CD2 4.12Å; L160-T180 HydrophobicContact CD1-CG2 3.69Å; L160-T180 HydrophobicContact CD2-CG2 4.11Å; L160-T180 HydrophobicContact CG-CG2 4.48Å; L160-L219 HydrophobicContact CB-CD2 3.86Å |
| 161 | E | 95 | Very high | 93.2 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.2 | 178 | 57.7 | -154.5 | 0 | 0 | 111.1 | V157 N163 K164 | V157-E161 VanDerWaalsContact O-CB 3.29Å; V157-E161 WeakPolarHBondContact O-CB 3.45Å; V157-E161 PolarHBondContact O-N 3.38Å; E161-N163 PolarHBondContact O-N 3.03Å; E161-K164 WeakPolarHBondContact O-CG 3.5Å; E161-K164 WeakPolarHBondContact OE1-CE 3.26Å; E161-K164 IonicContact OE1-NZ 3.37Å; E161-K164 PolarHBondContact OE1-NZ 2.9Å; E161-K164 IonicContact OE2-NZ 2.83Å; E161-K164 PolarHBondContact OE2-NZ 2.87Å |
| 162 | K | 94.6 | Very high | 92.8 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.2 | -27 | 174.7 | -176 | -177 | 174.8 | -167.1 | 0 | 113.3 | D158 L160 | D158-K162 VanDerWaalsContact O-CB 3.28Å; D158-K162 WeakPolarHBondContact O-CB 3.39Å; D158-K162 PolarHBondContact O-N 3.48Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.35Å |
| 163 | N | 93 | Very high | 92.3 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 22.5 | -172.4 | -64.9 | -77.1 | 0 | 0 | 0 | 113.4 | I122 L159 L160 E161 D165 W166 L167 | I122-N163 HydrophobicContact CG2-CB 3.78Å; L159-N163 WeakPolarHBondContact O-CB 3.33Å; L159-N163 PolarHBondContact O-N 3Å; L159-N163 PolarHBondContact O-ND2 3.26Å; L160-N163 CarbonylContact O-C 3.26Å; L160-N163 VanDerWaalsContact O-C 3.29Å; L160-N163 PolarHBondContact O-N 3.28Å; E161-N163 PolarHBondContact O-N 3.03Å; N163-D165 VanDerWaalsContact C-N 3.29Å; N163-D165 PolarHBondContact O-N 3.23Å; N163-W166 HydrophobicContact CB-CE3 4.38Å; N163-W166 WeakPolarHBondContact O-CA 3.36Å; N163-W166 WeakPolarHBondContact O-CB 3.27Å; N163-W166 PolarHBondContact O-N 3.21Å; N163-L167 PolarHBondContact O-N 3.43Å |
| 164 | K | 92.5 | Very high | 91.9 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -31.5 | -172.4 | 62.6 | -170.1 | 177.6 | -175.7 | 0 | 114.2 | L160 E161 W166 L167 A168 E222 L223 | L160-K164 WeakPolarHBondContact O-CA 3.45Å; L160-K164 PolarHBondContact O-N 2.84Å; E161-K164 WeakPolarHBondContact O-CG 3.5Å; E161-K164 WeakPolarHBondContact OE1-CE 3.26Å; E161-K164 IonicContact OE1-NZ 3.37Å; E161-K164 PolarHBondContact OE1-NZ 2.9Å; E161-K164 IonicContact OE2-NZ 2.83Å; E161-K164 PolarHBondContact OE2-NZ 2.87Å; K164-W166 VanDerWaalsContact C-N 3.34Å; K164-W166 PolarHBondContact O-N 3.24Å; K164-L167 PolarHBondContact O-N 3.11Å; K164-A168 WeakPolarHBondContact O-CB 3.48Å; K164-A168 PolarHBondContact O-N 3.18Å; K164-E222 WeakPolarHBondContact CD-OE1 3.45Å; K164-E222 WeakPolarHBondContact CE-OE1 3.38Å; K164-E222 VanDerWaalsContact NZ-CD 3.33Å; K164-E222 IonicContact NZ-OE1 2.8Å; K164-E222 PolarHBondContact NZ-OE1 2.71Å; K164-E222 IonicContact NZ-OE2 3.62Å; K164-E222 PolarHBondContact NZ-OE2 3.16Å; K164-L223 HydrophobicContact CB-CD2 4.47Å |
| 165 | D | 91.3 | Very high | 91.7 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.8 | -29.3 | 173.8 | -59.9 | -40.8 | 0 | 0 | 0 | 112.9 | N163 S169 | N163-D165 VanDerWaalsContact C-N 3.29Å; N163-D165 PolarHBondContact O-N 3.23Å; D165-S169 PolarHBondContact O-N 3.26Å |
| 166 | W | 92.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 50 Ų | 50 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.6 | -39.1 | 170.8 | 165 | 91.9 | 0 | 0 | 0 | 111.1 | I122 V129 N163 K164 A168 S169 R172 L176 | I122-W166 HydrophobicContact CD1-CH2 4.27Å; I122-W166 HydrophobicContact CD1-CZ3 4.21Å; I122-W166 HydrophobicContact CG1-CH2 3.81Å; I122-W166 HydrophobicContact CG1-CZ2 4.07Å; I122-W166 HydrophobicContact CG1-CZ3 4.09Å; I122-W166 HydrophobicContact CG2-CD2 3.7Å; I122-W166 HydrophobicContact CG2-CE3 3.7Å; I122-W166 HydrophobicContact CG2-CG 4.19Å; I122-W166 HydrophobicContact CG2-CH2 4.34Å; I122-W166 HydrophobicContact CG2-CZ2 4.33Å; I122-W166 HydrophobicContact CG2-CZ3 4.03Å; V129-W166 HydrophobicContact CG2-CH2 3.51Å; V129-W166 HydrophobicContact CG2-CZ2 3.57Å; N163-W166 HydrophobicContact CB-CE3 4.38Å; N163-W166 WeakPolarHBondContact O-CA 3.36Å; N163-W166 WeakPolarHBondContact O-CB 3.27Å; N163-W166 PolarHBondContact O-N 3.21Å; K164-W166 VanDerWaalsContact C-N 3.34Å; K164-W166 PolarHBondContact O-N 3.24Å; W166-A168 VanDerWaalsContact C-N 3.3Å; W166-A168 PolarHBondContact O-N 3.23Å; W166-S169 VanDerWaalsContact O-CB 3.22Å; W166-S169 WeakPolarHBondContact O-CB 3.25Å; W166-S169 PolarHBondContact O-N 3.49Å; W166-S169 VanDerWaalsContact O-N 3.13Å; W166-S169 PolarHBondContact O-OG 2.71Å; W166-R172 HydrophobicContact CZ2-CG 4.24Å; W166-L176 HydrophobicContact CH2-CD2 3.44Å; W166-L176 VanDerWaalsContact CH2-CD2 3.44Å; W166-L176 HydrophobicContact CZ2-CD2 4.32Å; W166-L176 HydrophobicContact CZ3-CD2 3.84Å |
| 167 | L | 92 | Very high | 91.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 174.8 | -176.6 | 64.6 | 0 | 0 | 0 | 111.8 | L160 N163 K164 S169 L176 L177 T180 L223 | L160-L167 HydrophobicContact CD2-CD2 4.12Å; N163-L167 PolarHBondContact O-N 3.43Å; K164-L167 PolarHBondContact O-N 3.11Å; L167-S169 VanDerWaalsContact C-N 3.25Å; L167-S169 PolarHBondContact O-N 3.37Å; L167-L176 HydrophobicContact CD1-CB 4.34Å; L167-L176 HydrophobicContact CD1-CD2 3.95Å; L167-L176 HydrophobicContact CD1-CG 3.72Å; L167-L177 HydrophobicContact CD1-CB 4.17Å; L167-L177 HydrophobicContact CG-CB 4.06Å; L167-L177 HydrophobicContact CG-CD1 4.35Å; L167-L177 HydrophobicContact CG-CG 4.32Å; L167-T180 HydrophobicContact CD2-CG2 3.91Å; L167-L223 HydrophobicContact CD2-CD1 3.74Å; L167-L223 HydrophobicContact CD2-CD2 3.93Å |
| 168 | A | 90 | Very high | 91.4 | Very high | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K164 W166 Q173 L177 | K164-A168 WeakPolarHBondContact O-CB 3.48Å; K164-A168 PolarHBondContact O-N 3.18Å; W166-A168 VanDerWaalsContact C-N 3.3Å; W166-A168 PolarHBondContact O-N 3.23Å; A168-Q173 WeakPolarHBondContact O-CG 3.31Å; A168-Q173 PolarHBondContact O-NE2 2.86Å; A168-L177 HydrophobicContact CB-CD1 4.25Å |
| 169 | S | 90.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -67.9 | 149.8 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | D165 W166 L167 E171 R172 Q173 | D165-S169 PolarHBondContact O-N 3.26Å; W166-S169 VanDerWaalsContact O-CB 3.22Å; W166-S169 WeakPolarHBondContact O-CB 3.25Å; W166-S169 PolarHBondContact O-N 3.49Å; W166-S169 VanDerWaalsContact O-N 3.13Å; W166-S169 PolarHBondContact O-OG 2.71Å; L167-S169 VanDerWaalsContact C-N 3.25Å; L167-S169 PolarHBondContact O-N 3.37Å; S169-E171 PolarHBondContact O-N 3.09Å; S169-E171 VanDerWaalsContact O-N 3.09Å; S169-R172 PolarHBondContact O-N 2.76Å; S169-R172 WeakPolarHBondContact OG-CG 3.37Å; S169-Q173 WeakPolarHBondContact O-CG 3.4Å; S169-Q173 PolarHBondContact O-N 3.07Å |
| 170 | L | 87 | Confident | 91.5 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 69% | 0.686 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.9 | -172.1 | -171.1 | 64.6 | 0 | 0 | 0 | 113.9 | P174 | L170-P174 WeakPolarHBondContact O-CD 3.26Š|
| 171 | E | 83.3 | Confident | 91.5 | Very high | 136 Ų | 136 | 45.1 Ų | 45.1 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -33.7 | 175.5 | -61.7 | 179.6 | -159.6 | 0 | 0 | 113.3 | S169 P174 | S169-E171 PolarHBondContact O-N 3.09Å; S169-E171 VanDerWaalsContact O-N 3.09Å; E171-P174 WeakPolarHBondContact O-CD 3.4Å |
| 172 | R | 86.5 | Confident | 91.6 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -25.2 | -173.5 | -52.9 | -63.2 | 171.1 | -101.7 | -24.9 | 112.1 | K125 E130 W166 S169 F175 L176 L177 | K125-R172 PolarHBondContact O-NH2 3.42Å; K125-R172 VanDerWaalsContact O-NH2 3.08Å; E130-R172 VanDerWaalsContact OE1-CD 3.23Å; E130-R172 WeakPolarHBondContact OE1-CD 3.4Å; E130-R172 IonicContact OE1-CZ 3.17Å; E130-R172 IonicContact OE1-NE 2.69Å; E130-R172 PolarHBondContact OE1-NE 3.01Å; E130-R172 IonicContact OE1-NH1 3.21Å; E130-R172 PolarHBondContact OE1-NH1 3.08Å; W166-R172 HydrophobicContact CZ2-CG 4.24Å; S169-R172 PolarHBondContact O-N 2.76Å; S169-R172 WeakPolarHBondContact OG-CG 3.37Å; R172-F175 PolarHBondContact O-N 3.13Å; R172-L176 HydrophobicContact CB-CB 4.29Å; R172-L176 HydrophobicContact CB-CD2 4.41Å; R172-L176 PolarHBondContact O-N 2.67Å; R172-L177 PolarHBondContact O-N 2.88Å |
| 173 | Q | 83.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -39.7 | 173.3 | -86.7 | -174 | 24.7 | 0 | 0 | 116.6 | A168 S169 F175 P178 R230 | A168-Q173 WeakPolarHBondContact O-CG 3.31Å; A168-Q173 PolarHBondContact O-NE2 2.86Å; S169-Q173 WeakPolarHBondContact O-CG 3.4Å; S169-Q173 PolarHBondContact O-N 3.07Å; Q173-F175 VanDerWaalsContact C-N 3.27Å; Q173-F175 PolarHBondContact O-N 3.23Å; Q173-P178 WeakPolarHBondContact O-CD 3.28Å; Q173-P178 WeakPolarHBondContact O-CG 3.17Å; Q173-R230 HydrophobicContact CB-CG 4.17Å; Q173-R230 HydrophobicContact CG-CG 4.37Å |
| 174 | P | 87.6 | Confident | 91.8 | Very high | 74 Ų | 74 | 33 Ų | 33 | 48% | 0.481 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.7 | -172.9 | -21.7 | 35.1 | 0 | 0 | 0 | 114.7 | L170 E171 | L170-P174 WeakPolarHBondContact O-CD 3.26Å; E171-P174 WeakPolarHBondContact O-CD 3.4Å |
| 175 | F | 90.7 | Very high | 92 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 21% | 0.211 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | -53.5 | -173.2 | 177.7 | -115.3 | 0 | 0 | 0 | 113.4 | E130 L134 R172 Q173 L179 C283 | E130-F175 HydrophobicContact CB-CD1 4.44Å; L134-F175 HydrophobicContact CD1-CZ 3.91Å; R172-F175 PolarHBondContact O-N 3.13Å; Q173-F175 VanDerWaalsContact C-N 3.27Å; Q173-F175 PolarHBondContact O-N 3.23Å; F175-L179 HydrophobicContact CE1-CD2 4.12Å; F175-L179 HydrophobicContact CZ-CD2 3.94Å; F175-L179 WeakPolarHBondContact O-CB 3.41Å; F175-L179 PolarHBondContact O-N 2.88Å; F175-C283 HydrophobicContact CE2-CB 4.14Å |
| 176 | L | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.8 | -41.3 | -170.8 | -175.6 | 63.2 | 0 | 0 | 0 | 112.3 | E130 M133 Y137 W166 L167 R172 L179 T180 | E130-L176 HydrophobicContact CG-CB 4.34Å; E130-L176 HydrophobicContact CG-CD2 4.45Å; M133-L176 HydrophobicContact CB-CD1 3.63Å; M133-L176 HydrophobicContact CG-CD1 4.06Å; M133-L176 HydrophobicContact CG-CD2 4.4Å; Y137-L176 HydrophobicContact CE2-CD1 4.18Å; W166-L176 HydrophobicContact CH2-CD2 3.44Å; W166-L176 VanDerWaalsContact CH2-CD2 3.44Å; W166-L176 HydrophobicContact CZ2-CD2 4.32Å; W166-L176 HydrophobicContact CZ3-CD2 3.84Å; L167-L176 HydrophobicContact CD1-CB 4.34Å; L167-L176 HydrophobicContact CD1-CD2 3.95Å; L167-L176 HydrophobicContact CD1-CG 3.72Å; R172-L176 HydrophobicContact CB-CB 4.29Å; R172-L176 HydrophobicContact CB-CD2 4.41Å; R172-L176 PolarHBondContact O-N 2.67Å; L176-L179 PolarHBondContact O-N 2.61Å; L176-T180 WeakPolarHBondContact O-CB 3.25Å; L176-T180 PolarHBondContact O-N 2.99Å; L176-T180 PolarHBondContact O-OG1 3.5Å |
| 177 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -51.1 | 176.2 | -179.6 | 153.2 | 0 | 0 | 0 | 112.1 | L167 A168 R172 L179 T180 V181 L223 N227 | L167-L177 HydrophobicContact CD1-CB 4.17Å; L167-L177 HydrophobicContact CG-CB 4.06Å; L167-L177 HydrophobicContact CG-CD1 4.35Å; L167-L177 HydrophobicContact CG-CG 4.32Å; A168-L177 HydrophobicContact CB-CD1 4.25Å; R172-L177 PolarHBondContact O-N 2.88Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.41Å; L177-T180 WeakPolarHBondContact O-CB 3.49Å; L177-T180 PolarHBondContact O-N 3.15Å; L177-T180 VanDerWaalsContact O-N 3.14Å; L177-V181 PolarHBondContact O-N 2.89Å; L177-L223 HydrophobicContact CD1-CD2 4.11Å; L177-N227 HydrophobicContact CD1-CB 3.98Å; L177-N227 HydrophobicContact CD2-CB 3.79Å |
| 178 | P | 95.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.1 | -43.6 | 171.6 | -30.2 | 36.2 | 0 | 0 | 0 | 113.3 | Q173 T180 V181 Y182 R230 I234 F284 | Q173-P178 WeakPolarHBondContact O-CD 3.28Å; Q173-P178 WeakPolarHBondContact O-CG 3.17Å; P178-T180 VanDerWaalsContact C-N 3.32Å; P178-T180 PolarHBondContact O-N 3.16Å; P178-V181 PolarHBondContact O-N 3.48Å; P178-Y182 VanDerWaalsContact O-CB 3.32Å; P178-Y182 WeakPolarHBondContact O-CB 3.4Å; P178-Y182 PolarHBondContact O-N 3.23Å; P178-R230 HydrophobicContact CG-CB 4.29Å; P178-R230 WeakPolarHBondContact CG-O 3.42Å; P178-I234 HydrophobicContact CB-CD1 4.01Å; P178-I234 HydrophobicContact CB-CG1 3.82Å; P178-I234 WeakPolarHBondContact O-CD1 3.42Å; P178-F284 HydrophobicContact CB-CE1 3.88Å; P178-F284 HydrophobicContact CB-CZ 3.84Å |
| 179 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -35.4 | 178.7 | 177.4 | 61.8 | 0 | 0 | 0 | 112.4 | L134 Y137 F175 L176 L177 T183 F284 T287 | L134-L179 HydrophobicContact CB-CD2 4.01Å; L134-L179 HydrophobicContact CD1-CD2 4.06Å; L134-L179 HydrophobicContact CG-CD2 4.24Å; Y137-L179 HydrophobicContact CD2-CD2 4.02Å; Y137-L179 HydrophobicContact CD2-CG 3.86Å; Y137-L179 HydrophobicContact CE2-CD2 4.43Å; Y137-L179 HydrophobicContact CE2-CG 4.2Å; F175-L179 HydrophobicContact CE1-CD2 4.12Å; F175-L179 HydrophobicContact CZ-CD2 3.94Å; F175-L179 WeakPolarHBondContact O-CB 3.41Å; F175-L179 PolarHBondContact O-N 2.88Å; L176-L179 PolarHBondContact O-N 2.61Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.41Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 PolarHBondContact O-N 2.88Å; L179-T183 PolarHBondContact O-OG1 3.38Å; L179-F284 HydrophobicContact CB-CD1 4.38Å; L179-F284 HydrophobicContact CB-CE1 4.06Å; L179-F284 HydrophobicContact CD1-CD1 4.18Å; L179-T287 HydrophobicContact CD1-CG2 3.88Å; L179-T287 WeakPolarHBondContact CD1-OG1 3.48Å |
| 180 | T | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -51.1 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | Y137 L160 L167 L176 L177 P178 Y182 T183 L184 L223 | Y137-T180 WeakPolarHBondContact OH-CG2 3.45Å; Y137-T180 PolarHBondContact OH-OG1 3.37Å; L160-T180 HydrophobicContact CD1-CG2 3.69Å; L160-T180 HydrophobicContact CD2-CG2 4.11Å; L160-T180 HydrophobicContact CG-CG2 4.48Å; L167-T180 HydrophobicContact CD2-CG2 3.91Å; L176-T180 WeakPolarHBondContact O-CB 3.25Å; L176-T180 PolarHBondContact O-N 2.99Å; L176-T180 PolarHBondContact O-OG1 3.5Å; L177-T180 WeakPolarHBondContact O-CB 3.49Å; L177-T180 PolarHBondContact O-N 3.15Å; L177-T180 VanDerWaalsContact O-N 3.14Å; P178-T180 VanDerWaalsContact C-N 3.32Å; P178-T180 PolarHBondContact O-N 3.16Å; T180-Y182 VanDerWaalsContact C-N 3.34Å; T180-Y182 PolarHBondContact O-N 3.18Å; T180-T183 PolarHBondContact O-N 2.6Å; T180-T183 VanDerWaalsContact O-N 3.15Å; T180-L184 HydrophobicContact CG2-CD1 4.09Å; T180-L184 WeakPolarHBondContact O-CG 3.4Å; T180-L184 PolarHBondContact O-N 3.27Å; T180-L223 HydrophobicContact CG2-CD1 4.45Å |
| 181 | V | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 177 | 167.5 | 0 | 0 | 0 | 0 | 111 | L177 P178 T183 L184 L185 V220 L223 V224 F238 | L177-V181 PolarHBondContact O-N 2.89Å; P178-V181 PolarHBondContact O-N 3.48Å; V181-T183 VanDerWaalsContact C-N 3.32Å; V181-T183 PolarHBondContact O-N 2.81Å; V181-L184 PolarHBondContact O-N 2.95Å; V181-L185 HydrophobicContact CG1-CD1 3.71Å; V181-L185 HydrophobicContact CG1-CG 4.33Å; V181-L185 WeakPolarHBondContact O-CB 3.24Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 2.95Å; V181-V220 HydrophobicContact CG1-CG1 4.49Å; V181-L223 HydrophobicContact CG2-CB 4.1Å; V181-L223 HydrophobicContact CG2-CD1 4.46Å; V181-V224 HydrophobicContact CB-CG2 4.48Å; V181-V224 HydrophobicContact CG1-CG2 3.58Å; V181-V224 HydrophobicContact CG2-CG2 4.01Å; V181-F238 HydrophobicContact CG1-CD2 4.36Å; V181-F238 HydrophobicContact CG1-CE2 3.88Å |
| 182 | Y | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 175.9 | -165 | -102.5 | 0 | 0 | 0 | 112.9 | P178 T180 R186 I234 D237 L241 F284 L288 | P178-Y182 VanDerWaalsContact O-CB 3.32Å; P178-Y182 WeakPolarHBondContact O-CB 3.4Å; P178-Y182 PolarHBondContact O-N 3.23Å; T180-Y182 VanDerWaalsContact C-N 3.34Å; T180-Y182 PolarHBondContact O-N 3.18Å; Y182-R186 PolarHBondContact O-N 3.06Å; Y182-I234 HydrophobicContact CD2-CD1 4.36Å; Y182-I234 HydrophobicContact CD2-CG2 3.63Å; Y182-I234 HydrophobicContact CE2-CG2 3.82Å; Y182-D237 HydrophobicContact CE2-CB 3.88Å; Y182-L241 HydrophobicContact CD1-CD1 4.42Å; Y182-L241 HydrophobicContact CD2-CD1 3.55Å; Y182-L241 HydrophobicContact CE1-CD1 4.39Å; Y182-L241 HydrophobicContact CE2-CD1 3.54Å; Y182-L241 HydrophobicContact CG-CD1 4.04Å; Y182-F284 HydrophobicContact CD1-CB 3.99Å; Y182-F284 HydrophobicContact CD2-CB 4.36Å; Y182-F284 HydrophobicContact CE1-CB 3.83Å; Y182-F284 WeakPolarHBondContact CE1-O 3.4Å; Y182-F284 HydrophobicContact CE2-CB 4.19Å; Y182-F284 HydrophobicContact CG-CB 4.25Å; Y182-F284 HydrophobicContact CG-CD1 4.45Å; Y182-L288 HydrophobicContact CE1-CD2 3.53Å; Y182-L288 HydrophobicContact CE1-CG 3.97Å |
| 183 | T | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.9 | -45.3 | 179.7 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | Y137 M140 L179 T180 V181 R186 L187 | Y137-T183 HydrophobicContact CD1-CG2 4.19Å; Y137-T183 HydrophobicContact CG-CG2 4.02Å; M140-T183 HydrophobicContact CE-CG2 4.24Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 PolarHBondContact O-N 2.88Å; L179-T183 PolarHBondContact O-OG1 3.38Å; T180-T183 PolarHBondContact O-N 2.6Å; T180-T183 VanDerWaalsContact O-N 3.15Å; V181-T183 VanDerWaalsContact C-N 3.32Å; V181-T183 PolarHBondContact O-N 2.81Å; T183-R186 WeakPolarHBondContact O-CB 3.18Å; T183-R186 PolarHBondContact O-N 2.86Å; T183-L187 HydrophobicContact CG2-CD1 4.04Å; T183-L187 WeakPolarHBondContact O-CD1 3.07Å; T183-L187 WeakPolarHBondContact O-CG 3.29Å; T183-L187 PolarHBondContact O-N 2.89Å |
| 184 | L | 96.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.6 | -41.9 | -179.5 | -65.5 | 176.2 | 0 | 0 | 0 | 112 | M140 V157 T180 V181 R186 L187 I188 E216 L219 V220 | M140-L184 HydrophobicContact CE-CD2 4.24Å; V157-L184 HydrophobicContact CG2-CD2 3.99Å; T180-L184 HydrophobicContact CG2-CD1 4.09Å; T180-L184 WeakPolarHBondContact O-CG 3.4Å; T180-L184 PolarHBondContact O-N 3.27Å; V181-L184 PolarHBondContact O-N 2.95Å; L184-R186 PolarHBondContact O-N 3.45Å; L184-L187 PolarHBondContact O-N 2.88Å; L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.46Å; L184-E216 HydrophobicContact CD2-CG 4.42Å; L184-L219 HydrophobicContact CD1-CD2 3.87Å; L184-L219 HydrophobicContact CD1-CG 4.28Å; L184-V220 HydrophobicContact CB-CG2 3.41Å; L184-V220 VanDerWaalsContact CB-CG2 3.41Å; L184-V220 HydrophobicContact CD1-CG2 3.72Å; L184-V220 HydrophobicContact CG-CG2 4.22Å |
| 185 | L | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -25.8 | 174.3 | -73.4 | 173.2 | 0 | 0 | 0 | 113.3 | V181 P189 V220 F238 L241 L242 V245 M251 | V181-L185 HydrophobicContact CG1-CD1 3.71Å; V181-L185 HydrophobicContact CG1-CG 4.33Å; V181-L185 WeakPolarHBondContact O-CB 3.24Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 2.95Å; L185-P189 WeakPolarHBondContact O-CD 3.32Å; L185-V220 HydrophobicContact CD2-CG1 3.75Å; L185-V220 HydrophobicContact CG-CG1 3.94Å; L185-F238 HydrophobicContact CD1-CD2 3.79Å; L185-F238 HydrophobicContact CD1-CE2 3.79Å; L185-L241 HydrophobicContact CB-CB 3.87Å; L185-L241 HydrophobicContact CB-CD1 4.32Å; L185-L242 HydrophobicContact CD1-CD2 4.18Å; L185-L242 HydrophobicContact CD1-CG 4.22Å; L185-L242 HydrophobicContact CD2-CD2 3.95Å; L185-V245 HydrophobicContact CD2-CG2 3.61Å; L185-M251 HydrophobicContact CD2-SD 4.15Å |
| 186 | R | 94.7 | Very high | 85.6 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.3 | -27.8 | 171.6 | 172.2 | 174.8 | 61.5 | 71.9 | -12.1 | 113.2 | Y137 M140 T142 Y182 T183 L184 L241 T287 | Y137-R186 PolarHBondContact O-NH2 3.03Å; M140-R186 PolarHBondContact O-NH1 2.96Å; M140-R186 PolarHBondContact O-NH2 2.87Å; T142-R186 HydrophobicContact CG2-CG 4.12Å; Y182-R186 PolarHBondContact O-N 3.06Å; T183-R186 WeakPolarHBondContact O-CB 3.18Å; T183-R186 PolarHBondContact O-N 2.86Å; L184-R186 PolarHBondContact O-N 3.45Å; R186-L241 HydrophobicContact CB-CD2 4.4Å; R186-T287 PolarHBondContact NE-O 3.3Å; R186-T287 PolarHBondContact NH2-O 3.01Å |
| 187 | L | 94.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -98.9 | -39.1 | -168.8 | -68.9 | 165.5 | 0 | 0 | 0 | 113.6 | M140 T141 I153 T183 L184 P189 D190 | M140-L187 HydrophobicContact CB-CD1 3.88Å; M140-L187 HydrophobicContact CE-CD1 3.71Å; T141-L187 WeakPolarHBondContact O-CD2 3.39Å; I153-L187 HydrophobicContact CD1-CD1 4.18Å; I153-L187 HydrophobicContact CD1-CD2 3.99Å; I153-L187 HydrophobicContact CG1-CD1 4.29Å; T183-L187 HydrophobicContact CG2-CD1 4.04Å; T183-L187 WeakPolarHBondContact O-CD1 3.07Å; T183-L187 WeakPolarHBondContact O-CG 3.29Å; T183-L187 PolarHBondContact O-N 2.89Å; L184-L187 PolarHBondContact O-N 2.88Å; L187-P189 VanDerWaalsContact C-N 3.25Å; L187-D190 WeakPolarHBondContact O-CB 3.34Å; L187-D190 PolarHBondContact O-N 3.33Å |
| 188 | I | 94.6 | Very high | 81 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -34.6 | 179.5 | -68.7 | 161.5 | 0 | 0 | 0 | 114.9 | L184 D190 R213 E216 L217 V220 V245 L248 | L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.46Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 3.1Å; I188-R213 HydrophobicContact CG2-CG 4.07Å; I188-R213 PolarHBondContact O-NE 3.09Å; I188-R213 VanDerWaalsContact O-NE 3.09Å; I188-E216 HydrophobicContact CD1-CB 3.87Å; I188-E216 HydrophobicContact CG1-CB 3.51Å; I188-E216 HydrophobicContact CG1-CG 4.33Å; I188-L217 HydrophobicContact CD1-CD2 4.35Å; I188-L217 HydrophobicContact CD1-CG 4.49Å; I188-L217 HydrophobicContact CG2-CD1 4.47Å; I188-L217 HydrophobicContact CG2-CD2 3.67Å; I188-L217 HydrophobicContact CG2-CG 3.83Å; I188-V220 HydrophobicContact CD1-CB 4.49Å; I188-V220 HydrophobicContact CD1-CG2 4Å; I188-V245 HydrophobicContact CB-CG1 3.89Å; I188-V245 HydrophobicContact CG2-CB 4.44Å; I188-V245 HydrophobicContact CG2-CG1 3.51Å; I188-L248 HydrophobicContact CG2-CD1 3.97Å |
| 189 | P | 90.4 | Very high | 78.2 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.9 | 174.3 | -26 | 37.2 | 0 | 0 | 0 | 114 | L185 L187 H192 V245 | L185-P189 WeakPolarHBondContact O-CD 3.32Å; L187-P189 VanDerWaalsContact C-N 3.25Å; P189-H192 PolarHBondContact O-ND1 2.66Å; P189-V245 HydrophobicContact CG-CG1 4.2Å |
| 190 | D | 88.2 | Confident | 75.8 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -26.7 | -177.6 | -61.9 | -41.2 | 0 | 0 | 0 | 112.2 | T142 G143 L187 I188 H192 S331 | T142-D190 WeakPolarHBondContact CA-OD2 3.38Å; T142-D190 VanDerWaalsContact CB-OD2 3.22Å; T142-D190 WeakPolarHBondContact CB-OD2 3.35Å; T142-D190 PolarHBondContact OG1-OD2 3.2Å; G143-D190 PolarHBondContact N-OD2 3.47Å; L187-D190 WeakPolarHBondContact O-CB 3.34Å; L187-D190 PolarHBondContact O-N 3.33Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 3.1Å; D190-H192 PolarHBondContact O-N 3.23Å; D190-S331 VanDerWaalsContact OD1-CB 3.29Å; D190-S331 WeakPolarHBondContact OD1-CB 3.48Å; D190-S331 PolarHBondContact OD1-OG 2.8Å |
| 191 | H | 90.3 | Very high | 73.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -83.1 | 52.4 | -174.7 | -56 | 146.5 | 0 | 0 | 0 | 113.9 | L209 R213 E216 | H191-L209 HydrophobicContact CB-CD1 3.9Å; H191-L209 HydrophobicContact CB-CG 4.04Å; H191-R213 HydrophobicContact CB-CB 4.08Å; H191-R213 HydrophobicContact CB-CG 4.2Å; H191-R213 WeakPolarHBondContact O-CB 3.27Å; H191-R213 VanDerWaalsContact O-CD 3.23Å; H191-R213 WeakPolarHBondContact O-CD 3.45Å; H191-R213 WeakPolarHBondContact O-CG 3.2Å; H191-E216 IonicContact CE1-OE1 2.72Å; H191-E216 PolarHBondContact CE1-OE1 2.89Å; H191-E216 IonicContact CE1-OE2 2.69Å; H191-E216 IonicContact CG-OE2 3.54Å; H191-E216 VanDerWaalsContact ND1-CD 3.28Å; H191-E216 IonicContact ND1-OE1 3.18Å; H191-E216 PolarHBondContact ND1-OE1 3.42Å; H191-E216 VanDerWaalsContact ND1-OE1 3.13Å; H191-E216 IonicContact ND1-OE2 3.61Å; H191-E216 PolarHBondContact ND1-OE2 3.41Å |
| 192 | H | 80 | Confident | 70.4 | Confident | 98 Ų | 98 | 60.6 Ų | 60.6 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | trans | -129.3 | 165.4 | 170.8 | 76.1 | -78.2 | 0 | 0 | 0 | 110.9 | P189 D190 L209 | P189-H192 PolarHBondContact O-ND1 2.66Å; D190-H192 PolarHBondContact O-N 3.23Å; H192-L209 WeakPolarHBondContact O-CD2 3.46Å | ||
| 193 | L | 62 | Low | 68 | Low | 71 Ų | 71 | 65 Ų | 65 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | trans | -129.6 | 129.4 | 176.1 | -86.9 | 153.3 | 0 | 0 | 0 | 109.6 | S206 L209 | L193-S206 VanDerWaalsContact CD1-CA 3.46Å; L193-L209 HydrophobicContact CD1-CB 4.18Å; L193-L209 HydrophobicContact CD1-CD2 3.87Å; L193-L209 HydrophobicContact CG-CD2 3.81Å | ||
| 194 | S | 54.5 | Low | 66 | Low | 48 Ų | 48 | 71.3 Ų | 71.3 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | trans | -67.9 | 135.5 | 168.6 | 176 | 0 | 0 | 0 | 0 | 109.6 | Q196 Q197 | S194-Q196 PolarHBondContact O-N 3.26Å; S194-Q197 PolarHBondContact O-N 3.35Å; S194-Q197 VanDerWaalsContact O-N 3.07Å | ||
| 195 | P | 44.7 | Very low | 64 | Low | 117 Ų | 117 | 74.1 Ų | 74.1 | 76% | 0.76 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -52.3 | -28.1 | 177.3 | -28.7 | 35.7 | 0 | 0 | 0 | 114.2 | Q197 | P195-Q197 VanDerWaalsContact C-N 3.3Å; P195-Q197 PolarHBondContact O-N 3.34Å |
| 196 | Q | 46.1 | Very low | 62.2 | Low | 175 Ų | 175 | 76.9 Ų | 76.9 | 82% | 0.818 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -71.6 | -18.1 | -177.6 | -62.1 | -179.2 | -2.3 | 0 | 0 | 114.1 | S194 | S194-Q196 PolarHBondContact O-N 3.26Š|
| 197 | Q | 48 | Very low | 60.7 | Low | 104 Ų | 104 | 79.8 Ų | 79.8 | 49% | 0.486 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -91.6 | -10.2 | -178.3 | -67.8 | -179.3 | -18.9 | 0 | 0 | 114 | S194 P195 | S194-Q197 PolarHBondContact O-N 3.35Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; P195-Q197 VanDerWaalsContact C-N 3.3Å; P195-Q197 PolarHBondContact O-N 3.34Å |
| 198 | A | 43.8 | Very low | 59.9 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | L200 | A198-L200 PolarHBondContact O-N 3.36Š|
| 199 | P | 37.2 | Very low | 59.4 | Low | 109 Ų | 109 | 85 Ų | 85 | 71% | 0.708 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -74.3 | -13.9 | -169.1 | -22.2 | 34.7 | 0 | 0 | 0 | 117.5 | ||
| 200 | L | 45.9 | Very low | 59.2 | Low | 157 Ų | 157 | 86.4 Ų | 86.4 | 82% | 0.822 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -104.9 | 2.8 | -159.2 | -71.6 | 172.1 | 0 | 0 | 0 | 116.4 | A198 | A198-L200 PolarHBondContact O-N 3.36Š|
| 201 | V | 40 | Very low | 59.2 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | trans | -127.2 | 113.9 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 112 | S203 P205 | V201-S203 PolarHBondContact O-N 2.75Å; V201-P205 HydrophobicContact CB-CG 4Å; V201-P205 HydrophobicContact CG1-CG 3.65Å | ||
| 202 | T | 38.9 | Very low | 59.4 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 94% | 0.939 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -78.1 | 41.9 | -174.1 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 203 | S | 45.7 | Very low | 60 | Low | 92 Ų | 92 | 88.8 Ų | 88.8 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -164.5 | 61.7 | 177.3 | 64.4 | 0 | 0 | 0 | 0 | 115.6 | V201 P205 | V201-S203 PolarHBondContact O-N 2.75Å; S203-P205 VanDerWaalsContact C-CD 3.42Å; S203-P205 VanDerWaalsContact O-CD 3.28Å; S203-P205 WeakPolarHBondContact O-CD 3.1Å |
| 204 | N | 53.6 | Low | 61.5 | Low | 134 Ų | 134 | 90.3 Ų | 90.3 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | trans | 31.8 | 52.2 | 169.4 | -74.6 | -4.5 | 0 | 0 | 0 | 118.7 | S206 | N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 2.91Å | ||
| 205 | P | 55.5 | Low | 63.4 | Low | 60 Ų | 60 | 91.1 Ų | 91.1 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | trans | -71.7 | -31.2 | -178.2 | -12.8 | 29.8 | 0 | 0 | 0 | 112.4 | V201 S203 V207 H208 L209 | V201-P205 HydrophobicContact CB-CG 4Å; V201-P205 HydrophobicContact CG1-CG 3.65Å; S203-P205 VanDerWaalsContact C-CD 3.42Å; S203-P205 VanDerWaalsContact O-CD 3.28Å; S203-P205 WeakPolarHBondContact O-CD 3.1Å; P205-V207 PolarHBondContact O-N 3.32Å; P205-H208 WeakPolarHBondContact O-CB 3.25Å; P205-H208 PolarHBondContact O-N 3.28Å; P205-H208 VanDerWaalsContact O-N 3.08Å; P205-L209 PolarHBondContact O-N 3.17Å | ||
| 206 | S | 58.3 | Low | 65.9 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -35.3 | -172.1 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | L193 N204 H208 S210 | L193-S206 VanDerWaalsContact CD1-CA 3.46Å; N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 2.91Å; S206-H208 VanDerWaalsContact C-N 3.26Å; S206-H208 PolarHBondContact O-N 2.92Å; S206-S210 PolarHBondContact O-N 3.06Å; S206-S210 PolarHBondContact O-OG 3.44Å |
| 207 | V | 62.2 | Low | 68.2 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 44% | 0.436 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.6 | -21.7 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | P205 K211 | P205-V207 PolarHBondContact O-N 3.32Å; V207-K211 HydrophobicContact CG1-CD 4.43Å; V207-K211 VanDerWaalsContact O-CD 3.27Å; V207-K211 WeakPolarHBondContact O-CD 3.49Å; V207-K211 WeakPolarHBondContact O-CG 3.43Å |
| 208 | H | 77 | Confident | 70.5 | Confident | 99 Ų | 99 | 74.6 Ų | 74.6 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -83.3 | -48.4 | 177.6 | -160.4 | -58.5 | 0 | 0 | 0 | 111.8 | D154 P205 S206 S210 K211 L212 | D154-H208 IonicContact OD2-CE1 2.82Å; D154-H208 PolarHBondContact OD2-CE1 2.83Å; D154-H208 IonicContact OD2-NE2 3.78Å; P205-H208 WeakPolarHBondContact O-CB 3.25Å; P205-H208 PolarHBondContact O-N 3.28Å; P205-H208 VanDerWaalsContact O-N 3.08Å; S206-H208 VanDerWaalsContact C-N 3.26Å; S206-H208 PolarHBondContact O-N 2.92Å; H208-S210 PolarHBondContact O-N 3.38Å; H208-K211 PolarHBondContact O-N 3.24Å; H208-L212 PolarHBondContact O-N 3.33Å |
| 209 | L | 84.7 | Confident | 73 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | -174.9 | -163.3 | 70.8 | 0 | 0 | 0 | 112.2 | L150 H191 H192 L193 P205 K211 L212 R213 | L150-L209 HydrophobicContact CD1-CD1 4.01Å; L150-L209 HydrophobicContact CD2-CD1 3.59Å; L150-L209 HydrophobicContact CG-CD1 4.47Å; H191-L209 HydrophobicContact CB-CD1 3.9Å; H191-L209 HydrophobicContact CB-CG 4.04Å; H192-L209 WeakPolarHBondContact O-CD2 3.46Å; L193-L209 HydrophobicContact CD1-CB 4.18Å; L193-L209 HydrophobicContact CD1-CD2 3.87Å; L193-L209 HydrophobicContact CG-CD2 3.81Å; P205-L209 PolarHBondContact O-N 3.17Å; L209-K211 PolarHBondContact O-N 3.41Å; L209-L212 PolarHBondContact O-N 3.18Å; L209-R213 PolarHBondContact O-N 2.97Å |
| 210 | S | 85.8 | Confident | 75.8 | Confident | 68 Ų | 68 | 66 Ų | 66 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 113 | S206 H208 Q214 | S206-S210 PolarHBondContact O-N 3.06Å; S206-S210 PolarHBondContact O-OG 3.44Å; H208-S210 PolarHBondContact O-N 3.38Å; S210-Q214 PolarHBondContact O-N 2.77Å; S210-Q214 VanDerWaalsContact O-N 3.15Å |
| 211 | K | 89.5 | Confident | 78.2 | Confident | 136 Ų | 136 | 60.2 Ų | 60.2 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 174 | -74.8 | 178.1 | -175.9 | -179.6 | 0 | 112.3 | V207 H208 L209 Q214 K215 | V207-K211 HydrophobicContact CG1-CD 4.43Å; V207-K211 VanDerWaalsContact O-CD 3.27Å; V207-K211 WeakPolarHBondContact O-CD 3.49Å; V207-K211 WeakPolarHBondContact O-CG 3.43Å; H208-K211 PolarHBondContact O-N 3.24Å; L209-K211 PolarHBondContact O-N 3.41Å; K211-Q214 PolarHBondContact O-N 3.15Å; K211-K215 WeakPolarHBondContact O-CG 3.26Å; K211-K215 PolarHBondContact O-N 3.46Å |
| 212 | L | 93.1 | Very high | 80.9 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.9 | -51.8 | 175.8 | 174.2 | 56.3 | 0 | 0 | 0 | 110.5 | L150 I153 D154 V157 H208 L209 Q214 K215 E216 | L150-L212 HydrophobicContact CD2-CD2 4.13Å; I153-L212 HydrophobicContact CG2-CD1 4.17Å; I153-L212 HydrophobicContact CG2-CD2 4.25Å; D154-L212 HydrophobicContact CB-CD1 3.92Å; V157-L212 HydrophobicContact CG2-CD1 4.37Å; H208-L212 PolarHBondContact O-N 3.33Å; L209-L212 PolarHBondContact O-N 3.18Å; L212-Q214 VanDerWaalsContact C-N 3.25Å; L212-Q214 PolarHBondContact O-N 3.26Å; L212-K215 WeakPolarHBondContact O-CB 3.42Å; L212-K215 PolarHBondContact O-N 3.32Å; L212-E216 HydrophobicContact CD1-CG 4.11Å; L212-E216 WeakPolarHBondContact O-CG 3.41Å; L212-E216 PolarHBondContact O-N 3.32Å |
| 213 | R | 93.9 | Very high | 83.6 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.2 | -41.8 | 177.5 | -158.9 | -164.9 | -153.8 | -174.6 | 6.6 | 112.3 | I188 H191 L209 E216 L217 | I188-R213 HydrophobicContact CG2-CG 4.07Å; I188-R213 PolarHBondContact O-NE 3.09Å; I188-R213 VanDerWaalsContact O-NE 3.09Å; H191-R213 HydrophobicContact CB-CB 4.08Å; H191-R213 HydrophobicContact CB-CG 4.2Å; H191-R213 WeakPolarHBondContact O-CB 3.27Å; H191-R213 VanDerWaalsContact O-CD 3.23Å; H191-R213 WeakPolarHBondContact O-CD 3.45Å; H191-R213 WeakPolarHBondContact O-CG 3.2Å; L209-R213 PolarHBondContact O-N 2.97Å; R213-E216 WeakPolarHBondContact CA-OE2 3.41Å; R213-E216 PolarHBondContact O-N 3.28Å; R213-L217 HydrophobicContact CG-CD1 4.03Å; R213-L217 VanDerWaalsContact O-CB 3.27Å; R213-L217 WeakPolarHBondContact O-CB 3.5Å; R213-L217 WeakPolarHBondContact O-CD1 3.43Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.09Å |
| 214 | Q | 93.1 | Very high | 85.9 | Confident | 102 Ų | 102 | 47 Ų | 47 | 48% | 0.477 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 179.1 | -163.8 | 63.3 | 54.7 | 0 | 0 | 112.9 | S210 K211 L212 A218 E249 | S210-Q214 PolarHBondContact O-N 2.77Å; S210-Q214 VanDerWaalsContact O-N 3.15Å; K211-Q214 PolarHBondContact O-N 3.15Å; L212-Q214 VanDerWaalsContact C-N 3.25Å; L212-Q214 PolarHBondContact O-N 3.26Å; Q214-A218 WeakPolarHBondContact O-CB 3.35Å; Q214-A218 PolarHBondContact O-N 3.11Å; Q214-E249 PolarHBondContact NE2-O 3.32Å |
| 215 | K | 94.6 | Very high | 87.9 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 172.9 | -68.2 | 167.1 | 65.2 | -179.5 | 0 | 110.7 | D154 V157 D158 K211 L212 A218 L219 | D154-K215 IonicContact OD1-NZ 3.5Å; D154-K215 PolarHBondContact OD1-NZ 3.17Å; D154-K215 IonicContact OD2-NZ 3.31Å; V157-K215 HydrophobicContact CG1-CB 3.76Å; D158-K215 WeakPolarHBondContact OD1-CE 3.04Å; D158-K215 IonicContact OD1-NZ 3.71Å; D158-K215 PolarHBondContact OD1-NZ 2.76Å; D158-K215 IonicContact OD2-NZ 2.71Å; D158-K215 PolarHBondContact OD2-NZ 2.72Å; K211-K215 WeakPolarHBondContact O-CG 3.26Å; K211-K215 PolarHBondContact O-N 3.46Å; L212-K215 WeakPolarHBondContact O-CB 3.42Å; L212-K215 PolarHBondContact O-N 3.32Å; K215-A218 PolarHBondContact O-N 3.34Å; K215-L219 WeakPolarHBondContact O-CB 3Å; K215-L219 PolarHBondContact O-N 3.35Å |
| 216 | E | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 177.3 | -66.3 | 174.1 | 123.5 | 0 | 0 | 112.1 | I153 V157 L184 I188 H191 L212 R213 A218 L219 V220 | I153-E216 WeakPolarHBondContact CG2-OE1 3.47Å; V157-E216 HydrophobicContact CG2-CG 3.73Å; L184-E216 HydrophobicContact CD2-CG 4.42Å; I188-E216 HydrophobicContact CD1-CB 3.87Å; I188-E216 HydrophobicContact CG1-CB 3.51Å; I188-E216 HydrophobicContact CG1-CG 4.33Å; H191-E216 IonicContact CE1-OE1 2.72Å; H191-E216 PolarHBondContact CE1-OE1 2.89Å; H191-E216 IonicContact CE1-OE2 2.69Å; H191-E216 IonicContact CG-OE2 3.54Å; H191-E216 VanDerWaalsContact ND1-CD 3.28Å; H191-E216 IonicContact ND1-OE1 3.18Å; H191-E216 PolarHBondContact ND1-OE1 3.42Å; H191-E216 VanDerWaalsContact ND1-OE1 3.13Å; H191-E216 IonicContact ND1-OE2 3.61Å; H191-E216 PolarHBondContact ND1-OE2 3.41Å; L212-E216 HydrophobicContact CD1-CG 4.11Å; L212-E216 WeakPolarHBondContact O-CG 3.41Å; L212-E216 PolarHBondContact O-N 3.32Å; R213-E216 WeakPolarHBondContact CA-OE2 3.41Å; R213-E216 PolarHBondContact O-N 3.28Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.26Å; E216-L219 PolarHBondContact O-N 3.12Å; E216-V220 WeakPolarHBondContact O-CB 2.98Å; E216-V220 VanDerWaalsContact O-CG2 3.3Å; E216-V220 WeakPolarHBondContact O-CG2 3.35Å; E216-V220 PolarHBondContact O-N 3.06Å |
| 217 | L | 95.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -42 | 178.9 | -79.3 | 166.5 | 0 | 0 | 0 | 112.3 | I188 R213 E221 L248 M251 | I188-L217 HydrophobicContact CD1-CD2 4.35Å; I188-L217 HydrophobicContact CD1-CG 4.49Å; I188-L217 HydrophobicContact CG2-CD1 4.47Å; I188-L217 HydrophobicContact CG2-CD2 3.67Å; I188-L217 HydrophobicContact CG2-CG 3.83Å; R213-L217 HydrophobicContact CG-CD1 4.03Å; R213-L217 VanDerWaalsContact O-CB 3.27Å; R213-L217 WeakPolarHBondContact O-CB 3.5Å; R213-L217 WeakPolarHBondContact O-CD1 3.43Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.09Å; L217-E221 WeakPolarHBondContact O-CB 2.94Å; L217-E221 PolarHBondContact O-N 3.07Å; L217-E221 VanDerWaalsContact O-N 3.15Å; L217-L248 HydrophobicContact CD1-CB 4.1Å; L217-L248 HydrophobicContact CD1-CD1 4.26Å; L217-L248 HydrophobicContact CD2-CB 3.94Å; L217-L248 HydrophobicContact CD2-CD1 4.02Å; L217-M251 HydrophobicContact CD2-CB 4.22Å; L217-M251 HydrophobicContact CD2-CG 3.36Å |
| 218 | A | 95.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.1 | -47.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q214 K215 E216 V220 E221 E222 | Q214-A218 WeakPolarHBondContact O-CB 3.35Å; Q214-A218 PolarHBondContact O-N 3.11Å; K215-A218 PolarHBondContact O-N 3.34Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.26Å; A218-V220 PolarHBondContact O-N 3.49Å; A218-E221 PolarHBondContact O-N 2.92Å; A218-E222 PolarHBondContact O-N 2.89Å |
| 219 | L | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 178.4 | 174.7 | 60.7 | 0 | 0 | 0 | 111.8 | V157 L160 L184 K215 E216 L223 | V157-L219 HydrophobicContact CG1-CD2 4.2Å; L160-L219 HydrophobicContact CB-CD2 3.86Å; L184-L219 HydrophobicContact CD1-CD2 3.87Å; L184-L219 HydrophobicContact CD1-CG 4.28Å; K215-L219 WeakPolarHBondContact O-CB 3Å; K215-L219 PolarHBondContact O-N 3.35Å; E216-L219 PolarHBondContact O-N 3.12Å; L219-L223 HydrophobicContact CD1-CD1 3.73Å; L219-L223 HydrophobicContact CD1-CG 4Å; L219-L223 HydrophobicContact CG-CD1 3.94Å; L219-L223 WeakPolarHBondContact O-CB 3.46Å; L219-L223 VanDerWaalsContact O-CG 3.22Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 2.86Å |
| 220 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | V181 L184 L185 I188 E216 A218 V224 M251 | V181-V220 HydrophobicContact CG1-CG1 4.49Å; L184-V220 HydrophobicContact CB-CG2 3.41Å; L184-V220 VanDerWaalsContact CB-CG2 3.41Å; L184-V220 HydrophobicContact CD1-CG2 3.72Å; L184-V220 HydrophobicContact CG-CG2 4.22Å; L185-V220 HydrophobicContact CD2-CG1 3.75Å; L185-V220 HydrophobicContact CG-CG1 3.94Å; I188-V220 HydrophobicContact CD1-CB 4.49Å; I188-V220 HydrophobicContact CD1-CG2 4Å; E216-V220 WeakPolarHBondContact O-CB 2.98Å; E216-V220 VanDerWaalsContact O-CG2 3.3Å; E216-V220 WeakPolarHBondContact O-CG2 3.35Å; E216-V220 PolarHBondContact O-N 3.06Å; A218-V220 PolarHBondContact O-N 3.49Å; V220-V224 HydrophobicContact CG1-CG2 4.11Å; V220-V224 VanDerWaalsContact O-CB 3.32Å; V220-V224 WeakPolarHBondContact O-CB 3.35Å; V220-V224 VanDerWaalsContact O-CG2 3.22Å; V220-V224 WeakPolarHBondContact O-CG2 3.48Å; V220-V224 PolarHBondContact O-N 3.42Å; V220-M251 HydrophobicContact CB-CE 4.14Å; V220-M251 HydrophobicContact CG1-CE 3.79Å; V220-M251 HydrophobicContact CG1-SD 4.06Å |
| 221 | E | 96.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 178.9 | -158.3 | -106.8 | -157.2 | 0 | 0 | 111.7 | L217 A218 L223 V224 R225 P250 M251 L254 | L217-E221 WeakPolarHBondContact O-CB 2.94Å; L217-E221 PolarHBondContact O-N 3.07Å; L217-E221 VanDerWaalsContact O-N 3.15Å; A218-E221 PolarHBondContact O-N 2.92Å; E221-L223 PolarHBondContact O-N 2.98Å; E221-V224 PolarHBondContact O-N 3.18Å; E221-R225 WeakPolarHBondContact O-CB 3.35Å; E221-R225 WeakPolarHBondContact O-CG 3.14Å; E221-R225 PolarHBondContact O-N 2.81Å; E221-R225 IonicContact OE1-CZ 2.7Å; E221-R225 IonicContact OE1-NE 3.34Å; E221-R225 PolarHBondContact OE1-NE 3.23Å; E221-R225 IonicContact OE1-NH2 3.19Å; E221-R225 IonicContact OE2-NE 3.23Å; E221-P250 HydrophobicContact CB-CB 4.41Å; E221-P250 HydrophobicContact CB-CG 3.73Å; E221-P250 HydrophobicContact CG-CB 3.92Å; E221-P250 HydrophobicContact CG-CG 3.82Å; E221-M251 HydrophobicContact CB-CE 3.45Å; E221-M251 VanDerWaalsContact CB-CE 3.45Å; E221-M251 HydrophobicContact CG-CE 3.89Å; E221-M251 VanDerWaalsContact N-CE 3.35Å; E221-L254 HydrophobicContact CG-CB 4.38Å; E221-L254 HydrophobicContact CG-CD2 4.47Å |
| 222 | E | 95.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 178.7 | -168 | -173.3 | 141.9 | 0 | 0 | 111.8 | K164 A218 K226 | K164-E222 WeakPolarHBondContact CD-OE1 3.45Å; K164-E222 WeakPolarHBondContact CE-OE1 3.38Å; K164-E222 VanDerWaalsContact NZ-CD 3.33Å; K164-E222 IonicContact NZ-OE1 2.8Å; K164-E222 PolarHBondContact NZ-OE1 2.71Å; K164-E222 IonicContact NZ-OE2 3.62Å; K164-E222 PolarHBondContact NZ-OE2 3.16Å; A218-E222 PolarHBondContact O-N 2.89Å; E222-K226 HydrophobicContact CG-CD 4.01Å; E222-K226 VanDerWaalsContact O-CB 3.32Å; E222-K226 WeakPolarHBondContact O-CB 3.35Å; E222-K226 VanDerWaalsContact O-CG 3.31Å; E222-K226 WeakPolarHBondContact O-CG 3.1Å; E222-K226 PolarHBondContact O-N 3.34Å; E222-K226 VanDerWaalsContact O-N 3.08Å; E222-K226 WeakPolarHBondContact OE1-CE 3.36Å; E222-K226 IonicContact OE1-NZ 3.33Å; E222-K226 PolarHBondContact OE1-NZ 2.72Å |
| 223 | L | 95.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.8 | -73.5 | 174.4 | 0 | 0 | 0 | 112.2 | K164 L167 L177 T180 V181 L219 E221 N227 | K164-L223 HydrophobicContact CB-CD2 4.47Å; L167-L223 HydrophobicContact CD2-CD1 3.74Å; L167-L223 HydrophobicContact CD2-CD2 3.93Å; L177-L223 HydrophobicContact CD1-CD2 4.11Å; T180-L223 HydrophobicContact CG2-CD1 4.45Å; V181-L223 HydrophobicContact CG2-CB 4.1Å; V181-L223 HydrophobicContact CG2-CD1 4.46Å; L219-L223 HydrophobicContact CD1-CD1 3.73Å; L219-L223 HydrophobicContact CD1-CG 4Å; L219-L223 HydrophobicContact CG-CD1 3.94Å; L219-L223 WeakPolarHBondContact O-CB 3.46Å; L219-L223 VanDerWaalsContact O-CG 3.22Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 2.86Å; E221-L223 PolarHBondContact O-N 2.98Å; L223-N227 WeakPolarHBondContact O-CB 3.33Å; L223-N227 PolarHBondContact O-N 2.97Å; L223-N227 VanDerWaalsContact O-N 3.12Å; L223-N227 PolarHBondContact O-ND2 2.95Å |
| 224 | V | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.1 | -45.2 | -179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | V181 V220 E221 K226 N227 F228 C231 F238 L254 | V181-V224 HydrophobicContact CB-CG2 4.48Å; V181-V224 HydrophobicContact CG1-CG2 3.58Å; V181-V224 HydrophobicContact CG2-CG2 4.01Å; V220-V224 HydrophobicContact CG1-CG2 4.11Å; V220-V224 VanDerWaalsContact O-CB 3.32Å; V220-V224 WeakPolarHBondContact O-CB 3.35Å; V220-V224 VanDerWaalsContact O-CG2 3.22Å; V220-V224 WeakPolarHBondContact O-CG2 3.48Å; V220-V224 PolarHBondContact O-N 3.42Å; E221-V224 PolarHBondContact O-N 3.18Å; V224-K226 VanDerWaalsContact C-N 3.35Å; V224-K226 PolarHBondContact O-N 3.26Å; V224-N227 CarbonylContact O-C 3.57Å; V224-N227 PolarHBondContact O-N 3.39Å; V224-F228 HydrophobicContact CG1-CD2 3.89Å; V224-F228 HydrophobicContact CG1-CE2 4.5Å; V224-F228 WeakPolarHBondContact O-CA 3.4Å; V224-F228 WeakPolarHBondContact O-CB 3.34Å; V224-F228 PolarHBondContact O-N 2.89Å; V224-C231 HydrophobicContact CG2-CB 4.4Å; V224-F238 HydrophobicContact CG1-CZ 3.88Å; V224-F238 HydrophobicContact CG2-CE2 4.19Å; V224-F238 HydrophobicContact CG2-CZ 4.28Å; V224-L254 HydrophobicContact CB-CD2 4Å; V224-L254 HydrophobicContact CG1-CD1 3.99Å; V224-L254 HydrophobicContact CG1-CD2 3.77Å; V224-L254 HydrophobicContact CG1-CG 4.45Å |
| 225 | R | 95 | Very high | 94.8 | Very high | 76 Ų | 76 | 29 Ų | 29 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.8 | -74.9 | -170.9 | 179.4 | -75.5 | -0.9 | 112.5 | E221 L254 D257 L265 | E221-R225 WeakPolarHBondContact O-CB 3.35Å; E221-R225 WeakPolarHBondContact O-CG 3.14Å; E221-R225 PolarHBondContact O-N 2.81Å; E221-R225 IonicContact OE1-CZ 2.7Å; E221-R225 IonicContact OE1-NE 3.34Å; E221-R225 PolarHBondContact OE1-NE 3.23Å; E221-R225 IonicContact OE1-NH2 3.19Å; E221-R225 IonicContact OE2-NE 3.23Å; R225-L254 HydrophobicContact CG-CD1 4.1Å; R225-D257 IonicContact CZ-OD2 2.9Å; R225-D257 IonicContact NH1-OD2 3.53Å; R225-D257 PolarHBondContact NH1-OD2 3.27Å; R225-D257 IonicContact NH2-OD2 3.67Å; R225-D257 PolarHBondContact NH2-OD2 2.93Å; R225-L265 HydrophobicContact CG-CD2 4.46Å |
| 226 | K | 93.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 26 Ų | 26 | 54% | 0.539 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -73.1 | -24 | 179.2 | -73.9 | 178.5 | 174.3 | 179.5 | 0 | 114.1 | E222 V224 | E222-K226 HydrophobicContact CG-CD 4.01Å; E222-K226 VanDerWaalsContact O-CB 3.32Å; E222-K226 WeakPolarHBondContact O-CB 3.35Å; E222-K226 VanDerWaalsContact O-CG 3.31Å; E222-K226 WeakPolarHBondContact O-CG 3.1Å; E222-K226 PolarHBondContact O-N 3.34Å; E222-K226 VanDerWaalsContact O-N 3.08Å; E222-K226 WeakPolarHBondContact OE1-CE 3.36Å; E222-K226 IonicContact OE1-NZ 3.33Å; E222-K226 PolarHBondContact OE1-NZ 2.72Å; V224-K226 VanDerWaalsContact C-N 3.35Å; V224-K226 PolarHBondContact O-N 3.26Å |
| 227 | N | 93.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 26 Ų | 26 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 34.4 | -169 | -53.8 | -96.4 | 0 | 0 | 0 | 112.3 | L177 L223 V224 D229 R230 C231 | L177-N227 HydrophobicContact CD1-CB 3.98Å; L177-N227 HydrophobicContact CD2-CB 3.79Å; L223-N227 WeakPolarHBondContact O-CB 3.33Å; L223-N227 PolarHBondContact O-N 2.97Å; L223-N227 VanDerWaalsContact O-N 3.12Å; L223-N227 PolarHBondContact O-ND2 2.95Å; V224-N227 CarbonylContact O-C 3.57Å; V224-N227 PolarHBondContact O-N 3.39Å; N227-D229 VanDerWaalsContact C-N 3.31Å; N227-D229 PolarHBondContact O-N 3.07Å; N227-R230 HydrophobicContact CB-CB 4.48Å; N227-R230 WeakPolarHBondContact O-CB 3.38Å; N227-R230 PolarHBondContact O-N 3.05Å; N227-C231 PolarHBondContact O-N 2.68Å; N227-C231 VanDerWaalsContact O-N 3.13Å; N227-C231 PolarHBondContact O-SG 3.03Å |
| 228 | F | 94.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.9 | -45.3 | -169.3 | -175.4 | -93.7 | 0 | 0 | 0 | 112.6 | V224 R230 C231 A232 F238 I258 I262 L265 I275 | V224-F228 HydrophobicContact CG1-CD2 3.89Å; V224-F228 HydrophobicContact CG1-CE2 4.5Å; V224-F228 WeakPolarHBondContact O-CA 3.4Å; V224-F228 WeakPolarHBondContact O-CB 3.34Å; V224-F228 PolarHBondContact O-N 2.89Å; F228-R230 PolarHBondContact O-N 3Å; F228-R230 VanDerWaalsContact O-N 3.1Å; F228-C231 PolarHBondContact O-N 2.93Å; F228-A232 HydrophobicContact CD1-CB 4.46Å; F228-A232 HydrophobicContact CE1-CB 4.2Å; F228-A232 WeakPolarHBondContact O-CB 3.33Å; F228-A232 PolarHBondContact O-N 3.4Å; F228-F238 HydrophobicContact CE2-CE1 4.3Å; F228-I258 HydrophobicContact CE2-CD1 3.9Å; F228-I258 HydrophobicContact CE2-CG1 3.72Å; F228-I258 HydrophobicContact CZ-CG1 4.11Å; F228-I262 HydrophobicContact CE1-CD1 4.13Å; F228-I262 HydrophobicContact CE1-CG1 3.97Å; F228-I262 HydrophobicContact CZ-CD1 4.15Å; F228-I262 HydrophobicContact CZ-CG1 4.08Å; F228-L265 HydrophobicContact CB-CB 4.11Å; F228-L265 VanDerWaalsContact CB-O 3.31Å; F228-L265 WeakPolarHBondContact CB-O 3.36Å; F228-L265 HydrophobicContact CD1-CB 4.06Å; F228-L265 HydrophobicContact CD2-CB 3.9Å; F228-L265 HydrophobicContact CD2-CD1 3.96Å; F228-L265 HydrophobicContact CE1-CB 4.48Å; F228-L265 HydrophobicContact CE2-CB 4.35Å; F228-L265 HydrophobicContact CE2-CD1 3.84Å; F228-L265 HydrophobicContact CG-CB 3.74Å; F228-L265 HydrophobicContact CZ-CD1 4.39Å; F228-I275 HydrophobicContact CE1-CD1 3.85Å; F228-I275 HydrophobicContact CZ-CD1 3.76Å |
| 229 | D | 93.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 23.6 Ų | 23.6 | 15% | 0.15 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.8 | -23.7 | 179.8 | -67.6 | -18.6 | 0 | 0 | 0 | 113.4 | N227 Q233 S266 S267 H268 | N227-D229 VanDerWaalsContact C-N 3.31Å; N227-D229 PolarHBondContact O-N 3.07Å; D229-Q233 VanDerWaalsContact O-CD 3.29Å; D229-Q233 VanDerWaalsContact O-CG 3.32Å; D229-Q233 WeakPolarHBondContact O-CG 3.36Å; D229-Q233 PolarHBondContact O-NE2 2.83Å; D229-S266 VanDerWaalsContact OD1-CA 3.32Å; D229-S266 WeakPolarHBondContact OD1-CA 3.44Å; D229-S266 VanDerWaalsContact OD1-CB 3.27Å; D229-S266 WeakPolarHBondContact OD1-CB 3.35Å; D229-S266 PolarHBondContact OD1-OG 2.91Å; D229-S267 PolarHBondContact OD2-N 3.1Å; D229-S267 VanDerWaalsContact OD2-N 3.15Å; D229-S267 PolarHBondContact OD2-OG 2.98Å; D229-H268 IonicContact OD2-CD2 3.85Å; D229-H268 IonicContact OD2-CG 3.43Å |
| 230 | R | 93.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 24.8 Ų | 24.8 | 28% | 0.283 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -85.3 | -39.1 | 172.1 | -62 | -63.3 | -177.2 | -162.1 | -3.6 | 112.4 | Q173 P178 N227 F228 A232 Q233 | Q173-R230 HydrophobicContact CB-CG 4.17Å; Q173-R230 HydrophobicContact CG-CG 4.37Å; P178-R230 HydrophobicContact CG-CB 4.29Å; P178-R230 WeakPolarHBondContact CG-O 3.42Å; N227-R230 HydrophobicContact CB-CB 4.48Å; N227-R230 WeakPolarHBondContact O-CB 3.38Å; N227-R230 PolarHBondContact O-N 3.05Å; F228-R230 PolarHBondContact O-N 3Å; F228-R230 VanDerWaalsContact O-N 3.1Å; R230-A232 VanDerWaalsContact C-N 3.35Å; R230-Q233 WeakPolarHBondContact O-CB 3.4Å; R230-Q233 PolarHBondContact O-N 3.22Å |
| 231 | C | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | V224 N227 F228 Q233 I234 F238 | V224-C231 HydrophobicContact CG2-CB 4.4Å; N227-C231 PolarHBondContact O-N 2.68Å; N227-C231 VanDerWaalsContact O-N 3.13Å; N227-C231 PolarHBondContact O-SG 3.03Å; F228-C231 PolarHBondContact O-N 2.93Å; C231-Q233 PolarHBondContact O-N 3.47Å; C231-I234 VanDerWaalsContact O-CB 3.26Å; C231-I234 WeakPolarHBondContact O-CB 3.23Å; C231-I234 VanDerWaalsContact O-CD1 3.31Å; C231-I234 WeakPolarHBondContact O-CD1 3.22Å; C231-I234 WeakPolarHBondContact O-CG1 3.27Å; C231-I234 PolarHBondContact O-N 2.93Å; C231-I234 VanDerWaalsContact O-N 3.15Å; C231-F238 HydrophobicContact CB-CE1 4.21Å; C231-F238 HydrophobicContact CB-CE2 4.03Å; C231-F238 HydrophobicContact CB-CZ 3.74Å |
| 232 | A | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -63.5 | -23.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F228 R230 I234 G235 F269 I275 | F228-A232 HydrophobicContact CD1-CB 4.46Å; F228-A232 HydrophobicContact CE1-CB 4.2Å; F228-A232 WeakPolarHBondContact O-CB 3.33Å; F228-A232 PolarHBondContact O-N 3.4Å; R230-A232 VanDerWaalsContact C-N 3.35Å; A232-I234 PolarHBondContact O-N 3.35Å; A232-G235 PolarHBondContact O-N 2.94Å; A232-F269 HydrophobicContact CB-CD2 3.77Å; A232-F269 HydrophobicContact CB-CE2 3.35Å; A232-F269 HydrophobicContact CB-CZ 3.88Å; A232-I275 HydrophobicContact CB-CD1 3.71Å; A232-I275 HydrophobicContact CB-CG1 4.08Å; A232-I275 HydrophobicContact CB-CG2 4.48Å |
| 233 | Q | 92.4 | Very high | 94.1 | Very high | 81 Ų | 81 | 23.4 Ų | 23.4 | 38% | 0.379 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -69.4 | -8.9 | 174.9 | -72.5 | 164.8 | 10 | 0 | 0 | 113.6 | D229 R230 C231 G235 | D229-Q233 VanDerWaalsContact O-CD 3.29Å; D229-Q233 VanDerWaalsContact O-CG 3.32Å; D229-Q233 WeakPolarHBondContact O-CG 3.36Å; D229-Q233 PolarHBondContact O-NE2 2.83Å; R230-Q233 WeakPolarHBondContact O-CB 3.4Å; R230-Q233 PolarHBondContact O-N 3.22Å; C231-Q233 PolarHBondContact O-N 3.47Å; Q233-G235 PolarHBondContact O-N 3.22Å |
| 234 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -65.3 | -26.4 | 163.8 | -60.3 | 167 | 0 | 0 | 0 | 110.8 | P178 Y182 C231 A232 F238 T280 F284 | P178-I234 HydrophobicContact CB-CD1 4.01Å; P178-I234 HydrophobicContact CB-CG1 3.82Å; P178-I234 WeakPolarHBondContact O-CD1 3.42Å; Y182-I234 HydrophobicContact CD2-CD1 4.36Å; Y182-I234 HydrophobicContact CD2-CG2 3.63Å; Y182-I234 HydrophobicContact CE2-CG2 3.82Å; C231-I234 VanDerWaalsContact O-CB 3.26Å; C231-I234 WeakPolarHBondContact O-CB 3.23Å; C231-I234 VanDerWaalsContact O-CD1 3.31Å; C231-I234 WeakPolarHBondContact O-CD1 3.22Å; C231-I234 WeakPolarHBondContact O-CG1 3.27Å; C231-I234 PolarHBondContact O-N 2.93Å; C231-I234 VanDerWaalsContact O-N 3.15Å; A232-I234 PolarHBondContact O-N 3.35Å; I234-F238 HydrophobicContact CB-CB 3.94Å; I234-F238 HydrophobicContact CD1-CB 4.44Å; I234-F238 HydrophobicContact CD1-CD2 4.25Å; I234-F238 HydrophobicContact CG2-CB 3.86Å; I234-T280 HydrophobicContact CG2-CG2 4.21Å; I234-T280 VanDerWaalsContact O-CA 3.23Å; I234-T280 WeakPolarHBondContact O-CA 3.35Å; I234-T280 VanDerWaalsContact O-CB 3.23Å; I234-T280 WeakPolarHBondContact O-CB 3.4Å; I234-T280 WeakPolarHBondContact O-CG2 3.47Å; I234-T280 PolarHBondContact O-OG1 2.9Å; I234-F284 HydrophobicContact CG1-CE1 4.37Å; I234-F284 HydrophobicContact CG1-CE2 4.22Å; I234-F284 HydrophobicContact CG1-CZ 4.13Å; I234-F284 HydrophobicContact CG2-CD2 4.37Å |
| 235 | G | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | 69.2 | -156.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A232 Q233 D237 F238 I275 I278 | A232-G235 PolarHBondContact O-N 2.94Å; Q233-G235 PolarHBondContact O-N 3.22Å; G235-D237 VanDerWaalsContact C-N 3.33Å; G235-D237 PolarHBondContact O-N 2.97Å; G235-F238 VanDerWaalsContact O-CB 3.23Å; G235-F238 WeakPolarHBondContact O-CB 3.31Å; G235-F238 PolarHBondContact O-N 3.32Å; G235-I275 CarbonylContact C-O 3.29Å; G235-I278 WeakPolarHBondContact CA-O 3.45Å | ||
| 236 | R | 94.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -47.5 | -41.2 | -166.3 | 63.8 | -176 | 65.8 | 133.8 | 3.6 | 116.2 | F238 I239 R240 I275 L276 E277 I278 T279 Y384 D385 | R236-F238 PolarHBondContact O-N 2.92Å; R236-I239 WeakPolarHBondContact O-CB 3.3Å; R236-I239 PolarHBondContact O-N 2.63Å; R236-R240 PolarHBondContact O-N 2.92Å; R236-R240 VanDerWaalsContact O-N 3.1Å; R236-I275 PolarHBondContact N-O 3.41Å; R236-L276 PolarHBondContact NE-O 3.39Å; R236-L276 VanDerWaalsContact NE-O 3.15Å; R236-E277 PolarHBondContact NH2-O 3.04Å; R236-I278 PolarHBondContact N-O 3.32Å; R236-I278 PolarHBondContact NE-O 2.97Å; R236-T279 PolarHBondContact NH1-OG1 3.49Å; R236-T279 PolarHBondContact NH2-OG1 3.35Å; R236-Y384 HydrophobicContact CB-CD1 4.37Å; R236-Y384 HydrophobicContact CB-CE1 3.67Å; R236-Y384 HydrophobicContact CG-CD1 3.97Å; R236-Y384 HydrophobicContact CG-CE1 3.74Å; R236-Y384 WeakPolarHBondContact O-CE1 3.46Å; R236-Y384 PolarHBondContact O-OH 3.48Å; R236-Y384 VanDerWaalsContact O-OH 3.13Å; R236-D385 WeakPolarHBondContact CD-OD1 3.39Å; R236-D385 IonicContact CZ-OD1 2.7Å; R236-D385 IonicContact NH1-OD1 3.39Å; R236-D385 PolarHBondContact NH1-OD1 2.81Å |
| 237 | D | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.3 | -17.5 | -178.9 | -82.2 | -112 | 0 | 0 | 0 | 113.8 | Y182 G235 R240 L241 T280 R338 | Y182-D237 HydrophobicContact CE2-CB 3.88Å; G235-D237 VanDerWaalsContact C-N 3.33Å; G235-D237 PolarHBondContact O-N 2.97Å; D237-R240 PolarHBondContact O-N 3.08Å; D237-R240 IonicContact OD1-CZ 3.59Å; D237-R240 IonicContact OD1-NE 2.64Å; D237-R240 PolarHBondContact OD1-NE 3.38Å; D237-R240 IonicContact OD1-NH2 3.26Å; D237-R240 PolarHBondContact OD1-NH2 2.94Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 2.93Å; D237-T280 HydrophobicContact CB-CG2 4.05Å; D237-T280 WeakPolarHBondContact CB-OG1 3.09Å; D237-T280 PolarHBondContact N-OG1 3.29Å; D237-R338 IonicContact OD1-CZ 2.61Å; D237-R338 IonicContact OD1-NE 3.69Å; D237-R338 PolarHBondContact OD1-NE 3.42Å; D237-R338 IonicContact OD1-NH2 2.81Å; D237-R338 IonicContact OD2-CZ 3.99Å; D237-R338 IonicContact OD2-NE 3.73Å; D237-R338 IonicContact OD2-NH2 3.79Å; D237-R338 PolarHBondContact OD2-NH2 3.36Å |
| 238 | F | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 168.1 | 174.3 | -129.8 | 0 | 0 | 0 | 110.9 | V181 L185 V224 F228 C231 I234 G235 R236 L241 L242 | V181-F238 HydrophobicContact CG1-CD2 4.36Å; V181-F238 HydrophobicContact CG1-CE2 3.88Å; L185-F238 HydrophobicContact CD1-CD2 3.79Å; L185-F238 HydrophobicContact CD1-CE2 3.79Å; V224-F238 HydrophobicContact CG1-CZ 3.88Å; V224-F238 HydrophobicContact CG2-CE2 4.19Å; V224-F238 HydrophobicContact CG2-CZ 4.28Å; F228-F238 HydrophobicContact CE2-CE1 4.3Å; C231-F238 HydrophobicContact CB-CE1 4.21Å; C231-F238 HydrophobicContact CB-CE2 4.03Å; C231-F238 HydrophobicContact CB-CZ 3.74Å; I234-F238 HydrophobicContact CB-CB 3.94Å; I234-F238 HydrophobicContact CD1-CB 4.44Å; I234-F238 HydrophobicContact CD1-CD2 4.25Å; I234-F238 HydrophobicContact CG2-CB 3.86Å; G235-F238 VanDerWaalsContact O-CB 3.23Å; G235-F238 WeakPolarHBondContact O-CB 3.31Å; G235-F238 PolarHBondContact O-N 3.32Å; R236-F238 PolarHBondContact O-N 2.92Å; F238-L241 PolarHBondContact O-N 2.83Å; F238-L242 HydrophobicContact CD1-CD1 4.14Å; F238-L242 HydrophobicContact CD2-CD1 4.17Å; F238-L242 HydrophobicContact CD2-CG 4.37Å; F238-L242 HydrophobicContact CE1-CD1 3.85Å; F238-L242 HydrophobicContact CE2-CD1 3.88Å; F238-L242 HydrophobicContact CE2-CG 4.19Å; F238-L242 HydrophobicContact CG-CD1 4.29Å; F238-L242 HydrophobicContact CZ-CD1 3.71Å; F238-L242 HydrophobicContact CZ-CG 4.48Å; F238-L242 WeakPolarHBondContact O-CG 3.44Å; F238-L242 PolarHBondContact O-N 3.49Å |
| 239 | I | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176.2 | -49.5 | -53.1 | 0 | 0 | 0 | 110.2 | R236 L241 L242 H243 W255 L272 I275 L276 | R236-I239 WeakPolarHBondContact O-CB 3.3Å; R236-I239 PolarHBondContact O-N 2.63Å; I239-L241 VanDerWaalsContact C-N 3.26Å; I239-L241 PolarHBondContact O-N 3.13Å; I239-L242 HydrophobicContact CD1-CD1 4.24Å; I239-L242 PolarHBondContact O-N 3.19Å; I239-H243 PolarHBondContact O-CD2 3.28Å; I239-H243 PolarHBondContact O-N 2.97Å; I239-W255 HydrophobicContact CG2-CH2 3.82Å; I239-W255 HydrophobicContact CG2-CZ3 4.06Å; I239-L272 HydrophobicContact CD1-CD1 3.61Å; I239-L272 HydrophobicContact CG1-CD1 3.9Å; I239-L272 HydrophobicContact CG2-CD1 4.25Å; I239-I275 HydrophobicContact CD1-CG2 3.91Å; I239-I275 HydrophobicContact CG1-CG2 3.94Å; I239-L276 HydrophobicContact CB-CD2 4.1Å; I239-L276 HydrophobicContact CG1-CD2 4.11Å; I239-L276 HydrophobicContact CG2-CD2 4.06Å |
| 240 | R | 94 | Very high | 92.8 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -35.2 | 175.2 | -159.5 | -174.6 | 51.5 | 57.8 | 4.2 | 113.7 | R236 D237 Y384 | R236-R240 PolarHBondContact O-N 2.92Å; R236-R240 VanDerWaalsContact O-N 3.1Å; D237-R240 PolarHBondContact O-N 3.08Å; D237-R240 IonicContact OD1-CZ 3.59Å; D237-R240 IonicContact OD1-NE 2.64Å; D237-R240 PolarHBondContact OD1-NE 3.38Å; D237-R240 IonicContact OD1-NH2 3.26Å; D237-R240 PolarHBondContact OD1-NH2 2.94Å; R240-Y384 HydrophobicContact CB-CD1 4.47Å; R240-Y384 HydrophobicContact CB-CE1 3.7Å; R240-Y384 HydrophobicContact CB-CE2 4.16Å; R240-Y384 HydrophobicContact CG-CD1 4.49Å; R240-Y384 HydrophobicContact CG-CD2 4.31Å; R240-Y384 HydrophobicContact CG-CE1 4.1Å; R240-Y384 HydrophobicContact CG-CE2 3.94Å; R240-Y384 PolarHBondContact N-OH 3.44Å |
| 241 | L | 93.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.068 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.7 | -38.2 | 177.2 | -67.4 | 175.7 | 0 | 0 | 0 | 111.8 | Y182 L185 R186 D237 F238 I239 H243 G244 | Y182-L241 HydrophobicContact CD1-CD1 4.42Å; Y182-L241 HydrophobicContact CD2-CD1 3.55Å; Y182-L241 HydrophobicContact CE1-CD1 4.39Å; Y182-L241 HydrophobicContact CE2-CD1 3.54Å; Y182-L241 HydrophobicContact CG-CD1 4.04Å; L185-L241 HydrophobicContact CB-CB 3.87Å; L185-L241 HydrophobicContact CB-CD1 4.32Å; R186-L241 HydrophobicContact CB-CD2 4.4Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 2.93Å; F238-L241 PolarHBondContact O-N 2.83Å; I239-L241 VanDerWaalsContact C-N 3.26Å; I239-L241 PolarHBondContact O-N 3.13Å; L241-H243 PolarHBondContact O-N 2.78Å; L241-G244 PolarHBondContact O-N 2.76Å |
| 242 | L | 94.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.6 | -37.5 | 172.7 | -78.3 | 169.6 | 0 | 0 | 0 | 112.3 | L185 F238 I239 G244 V245 A246 M251 W255 I258 | L185-L242 HydrophobicContact CD1-CD2 4.18Å; L185-L242 HydrophobicContact CD1-CG 4.22Å; L185-L242 HydrophobicContact CD2-CD2 3.95Å; F238-L242 HydrophobicContact CD1-CD1 4.14Å; F238-L242 HydrophobicContact CD2-CD1 4.17Å; F238-L242 HydrophobicContact CD2-CG 4.37Å; F238-L242 HydrophobicContact CE1-CD1 3.85Å; F238-L242 HydrophobicContact CE2-CD1 3.88Å; F238-L242 HydrophobicContact CE2-CG 4.19Å; F238-L242 HydrophobicContact CG-CD1 4.29Å; F238-L242 HydrophobicContact CZ-CD1 3.71Å; F238-L242 HydrophobicContact CZ-CG 4.48Å; F238-L242 WeakPolarHBondContact O-CG 3.44Å; F238-L242 PolarHBondContact O-N 3.49Å; I239-L242 HydrophobicContact CD1-CD1 4.24Å; I239-L242 PolarHBondContact O-N 3.19Å; L242-G244 PolarHBondContact O-N 3.29Å; L242-G244 VanDerWaalsContact O-N 3.09Å; L242-V245 HydrophobicContact CD2-CG2 4.36Å; L242-V245 CarbonylContact O-C 3.54Å; L242-V245 WeakPolarHBondContact O-CG2 3.18Å; L242-V245 PolarHBondContact O-N 3.34Å; L242-A246 WeakPolarHBondContact O-CB 3.42Å; L242-A246 PolarHBondContact O-N 3.33Å; L242-M251 HydrophobicContact CD2-SD 4.2Å; L242-W255 HydrophobicContact CB-CE3 3.99Å; L242-W255 HydrophobicContact CB-CZ3 3.87Å; L242-W255 HydrophobicContact CD1-CE3 4.4Å; L242-W255 HydrophobicContact CD1-CZ3 4.29Å; L242-I258 HydrophobicContact CD1-CD1 3.81Å |
| 243 | H | 89.6 | Confident | 92.7 | Very high | 42 Ų | 42 | 35 Ų | 35 | 19% | 0.194 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31 | 174.5 | -75.1 | -158.8 | 0 | 0 | 0 | 113.6 | I239 L241 V245 W255 Y431 M659 | I239-H243 PolarHBondContact O-CD2 3.28Å; I239-H243 PolarHBondContact O-N 2.97Å; L241-H243 PolarHBondContact O-N 2.78Å; H243-V245 VanDerWaalsContact C-N 3.31Å; H243-V245 PolarHBondContact O-N 3.48Å; H243-W255 AromaticContact CD2-CH2 3.33Å; H243-W255 WeakPolarHBondContact CD2-CH2 3.33Å; H243-W255 AromaticContact CD2-CZ2 3.8Å; H243-W255 AromaticContact CD2-CZ3 3.99Å; H243-W255 AromaticContact NE2-CH2 3.39Å; H243-W255 WeakPolarHBondContact NE2-CH2 3.39Å; H243-W255 AromaticContact NE2-CZ2 3.82Å; H243-Y431 AromaticContact CE1-CE2 3.71Å; H243-Y431 AromaticContact CE1-CZ 3.84Å; H243-M659 HydrophobicContact CB-CE 4.08Å |
| 244 | G | 85.5 | Confident | 92.8 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 46% | 0.464 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L241 L242 | L241-G244 PolarHBondContact O-N 2.76Å; L242-G244 PolarHBondContact O-N 3.29Å; L242-G244 VanDerWaalsContact O-N 3.09Å |
| 245 | V | 92.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -9.4 | -176.7 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | L185 I188 P189 L242 H243 R247 L248 M251 | L185-V245 HydrophobicContact CD2-CG2 3.61Å; I188-V245 HydrophobicContact CB-CG1 3.89Å; I188-V245 HydrophobicContact CG2-CB 4.44Å; I188-V245 HydrophobicContact CG2-CG1 3.51Å; P189-V245 HydrophobicContact CG-CG1 4.2Å; L242-V245 HydrophobicContact CD2-CG2 4.36Å; L242-V245 CarbonylContact O-C 3.54Å; L242-V245 WeakPolarHBondContact O-CG2 3.18Å; L242-V245 PolarHBondContact O-N 3.34Å; H243-V245 VanDerWaalsContact C-N 3.31Å; H243-V245 PolarHBondContact O-N 3.48Å; V245-R247 PolarHBondContact O-N 3.35Å; V245-L248 HydrophobicContact CB-CD1 4.09Å; V245-L248 HydrophobicContact CG1-CD1 4.22Å; V245-L248 WeakPolarHBondContact O-CB 3.22Å; V245-L248 PolarHBondContact O-N 3.43Å; V245-M251 HydrophobicContact CB-CB 4.3Å; V245-M251 HydrophobicContact CB-CG 4Å; V245-M251 HydrophobicContact CG2-CB 4.1Å; V245-M251 HydrophobicContact CG2-CG 3.72Å; V245-M251 HydrophobicContact CG2-SD 3.76Å; V245-M251 VanDerWaalsContact O-CB 3.3Å; V245-M251 WeakPolarHBondContact O-CB 3.42Å |
| 246 | A | 91.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | L242 K252 W255 | L242-A246 WeakPolarHBondContact O-CB 3.42Å; L242-A246 PolarHBondContact O-N 3.33Å; A246-K252 WeakPolarHBondContact O-CA 3.34Å; A246-W255 HydrophobicContact CB-CB 3.98Å; A246-W255 HydrophobicContact CB-CD2 3.71Å; A246-W255 HydrophobicContact CB-CE3 4.33Å; A246-W255 HydrophobicContact CB-CG 3.51Å |
| 247 | R | 88.5 | Confident | 92.6 | Very high | 146 Ų | 146 | 37.6 Ų | 37.6 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -9.3 | 176.4 | -64 | -175.7 | 173.2 | -166 | -3.5 | 113.9 | V245 D657 I658 | V245-R247 PolarHBondContact O-N 3.35Å; R247-D657 PolarHBondContact NH1-O 3.21Å; R247-I658 PolarHBondContact NH1-O 2.99Å; R247-I658 PolarHBondContact NH2-O 2.92Å |
| 248 | L | 91.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -90.6 | 143 | -176.3 | -52.6 | 174.6 | 0 | 0 | 0 | 109.7 | I188 L217 V245 P250 M251 K252 L656 | I188-L248 HydrophobicContact CG2-CD1 3.97Å; L217-L248 HydrophobicContact CD1-CB 4.1Å; L217-L248 HydrophobicContact CD1-CD1 4.26Å; L217-L248 HydrophobicContact CD2-CB 3.94Å; L217-L248 HydrophobicContact CD2-CD1 4.02Å; V245-L248 HydrophobicContact CB-CD1 4.09Å; V245-L248 HydrophobicContact CG1-CD1 4.22Å; V245-L248 WeakPolarHBondContact O-CB 3.22Å; V245-L248 PolarHBondContact O-N 3.43Å; L248-P250 CarbonylContact O-C 3.5Å; L248-M251 CarbonylContact O-C 3.46Å; L248-M251 WeakPolarHBondContact O-CA 3.33Å; L248-M251 WeakPolarHBondContact O-CB 3.45Å; L248-M251 PolarHBondContact O-N 2.93Å; L248-K252 PolarHBondContact O-N 3.32Å; L248-L656 HydrophobicContact CD2-CD1 4.32Å; L248-L656 HydrophobicContact CD2-CD2 3.72Å |
| 249 | E | 90.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 131.1 | 174.3 | -165.6 | 73.1 | -101 | 0 | 0 | 109.6 | Q214 R253 | Q214-E249 PolarHBondContact NE2-O 3.32Å; E249-R253 WeakPolarHBondContact OE1-CG 3.47Å; E249-R253 IonicContact OE1-CZ 3.05Å; E249-R253 IonicContact OE1-NE 2.68Å; E249-R253 PolarHBondContact OE1-NE 3.5Å; E249-R253 IonicContact OE1-NH1 2.97Å; E249-R253 IonicContact OE1-NH2 3.29Å; E249-R253 PolarHBondContact OE1-NH2 3.37Å; E249-R253 VanDerWaalsContact OE1-NH2 3.12Å; E249-R253 IonicContact OE2-CZ 2.96Å; E249-R253 IonicContact OE2-NE 3.5Å; E249-R253 IonicContact OE2-NH2 3.12Å; E249-R253 PolarHBondContact OE2-NH2 2.81Å |
| 250 | P | 93.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | -4.9 | 6.7 | 35.1 | -39.1 | 0 | 0 | 0 | 117.9 | E221 L248 K252 R253 | E221-P250 HydrophobicContact CB-CB 4.41Å; E221-P250 HydrophobicContact CB-CG 3.73Å; E221-P250 HydrophobicContact CG-CB 3.92Å; E221-P250 HydrophobicContact CG-CG 3.82Å; L248-P250 CarbonylContact O-C 3.5Å; P250-K252 PolarHBondContact O-N 2.86Å; P250-R253 PolarHBondContact O-N 2.82Å; P250-R253 VanDerWaalsContact O-N 3.11Å |
| 251 | M | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52.7 | -31.4 | -178 | -74.7 | -73.4 | 104.4 | 0 | 0 | 114.4 | L185 L217 V220 E221 L242 V245 L248 R253 L254 W255 | L185-M251 HydrophobicContact CD2-SD 4.15Å; L217-M251 HydrophobicContact CD2-CB 4.22Å; L217-M251 HydrophobicContact CD2-CG 3.36Å; V220-M251 HydrophobicContact CB-CE 4.14Å; V220-M251 HydrophobicContact CG1-CE 3.79Å; V220-M251 HydrophobicContact CG1-SD 4.06Å; E221-M251 HydrophobicContact CB-CE 3.45Å; E221-M251 VanDerWaalsContact CB-CE 3.45Å; E221-M251 HydrophobicContact CG-CE 3.89Å; E221-M251 VanDerWaalsContact N-CE 3.35Å; L242-M251 HydrophobicContact CD2-SD 4.2Å; V245-M251 HydrophobicContact CB-CB 4.3Å; V245-M251 HydrophobicContact CB-CG 4Å; V245-M251 HydrophobicContact CG2-CB 4.1Å; V245-M251 HydrophobicContact CG2-CG 3.72Å; V245-M251 HydrophobicContact CG2-SD 3.76Å; V245-M251 VanDerWaalsContact O-CB 3.3Å; V245-M251 WeakPolarHBondContact O-CB 3.42Å; L248-M251 CarbonylContact O-C 3.46Å; L248-M251 WeakPolarHBondContact O-CA 3.33Å; L248-M251 WeakPolarHBondContact O-CB 3.45Å; L248-M251 PolarHBondContact O-N 2.93Å; M251-R253 PolarHBondContact O-N 2.66Å; M251-L254 HydrophobicContact CE-CD2 3.67Å; M251-L254 PolarHBondContact O-N 3.27Å; M251-L254 HydrophobicContact SD-CD2 4.15Å; M251-W255 WeakPolarHBondContact O-CB 3.39Å; M251-W255 PolarHBondContact O-N 2.76Å |
| 252 | K | 92.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 44% | 0.443 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 177.2 | -177.5 | -177.7 | 172.4 | -174.4 | 0 | 112.4 | A246 L248 P250 L254 W255 D256 | A246-K252 WeakPolarHBondContact O-CA 3.34Å; L248-K252 PolarHBondContact O-N 3.32Å; P250-K252 PolarHBondContact O-N 2.86Å; K252-L254 VanDerWaalsContact C-N 3.33Å; K252-L254 PolarHBondContact O-N 2.83Å; K252-W255 WeakPolarHBondContact O-CB 3.17Å; K252-W255 PolarHBondContact O-N 3.18Å; K252-W255 VanDerWaalsContact O-N 3.13Å; K252-D256 PolarHBondContact O-N 2.76Å |
| 253 | R | 92.9 | Very high | 91.3 | Very high | 135 Ų | 135 | 55.4 Ų | 55.4 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 178.7 | -64.8 | 179.2 | -164.3 | 131.2 | 15 | 111.3 | E249 P250 M251 W255 D256 D257 | E249-R253 WeakPolarHBondContact OE1-CG 3.47Å; E249-R253 IonicContact OE1-CZ 3.05Å; E249-R253 IonicContact OE1-NE 2.68Å; E249-R253 PolarHBondContact OE1-NE 3.5Å; E249-R253 IonicContact OE1-NH1 2.97Å; E249-R253 IonicContact OE1-NH2 3.29Å; E249-R253 PolarHBondContact OE1-NH2 3.37Å; E249-R253 VanDerWaalsContact OE1-NH2 3.12Å; E249-R253 IonicContact OE2-CZ 2.96Å; E249-R253 IonicContact OE2-NE 3.5Å; E249-R253 IonicContact OE2-NH2 3.12Å; E249-R253 PolarHBondContact OE2-NH2 2.81Å; P250-R253 PolarHBondContact O-N 2.82Å; P250-R253 VanDerWaalsContact O-N 3.11Å; M251-R253 PolarHBondContact O-N 2.66Å; R253-W255 VanDerWaalsContact C-N 3.28Å; R253-W255 PolarHBondContact O-N 2.88Å; R253-D256 PolarHBondContact O-N 3.14Å; R253-D257 WeakPolarHBondContact O-CB 3.45Å; R253-D257 PolarHBondContact O-N 3.36Å; R253-D257 VanDerWaalsContact O-OD2 3.08Å |
| 254 | L | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.1 | 173 | 63.9 | 0 | 0 | 0 | 111.6 | E221 V224 R225 M251 K252 I258 L265 | E221-L254 HydrophobicContact CG-CB 4.38Å; E221-L254 HydrophobicContact CG-CD2 4.47Å; V224-L254 HydrophobicContact CB-CD2 4Å; V224-L254 HydrophobicContact CG1-CD1 3.99Å; V224-L254 HydrophobicContact CG1-CD2 3.77Å; V224-L254 HydrophobicContact CG1-CG 4.45Å; R225-L254 HydrophobicContact CG-CD1 4.1Å; M251-L254 HydrophobicContact CE-CD2 3.67Å; M251-L254 PolarHBondContact O-N 3.27Å; M251-L254 HydrophobicContact SD-CD2 4.15Å; K252-L254 VanDerWaalsContact C-N 3.33Å; K252-L254 PolarHBondContact O-N 2.83Å; L254-I258 HydrophobicContact CD1-CD1 4.17Å; L254-I258 HydrophobicContact CD1-CG1 4.45Å; L254-I258 HydrophobicContact CG-CD1 4.08Å; L254-I258 WeakPolarHBondContact O-CD1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.39Å; L254-I258 PolarHBondContact O-N 3.24Å; L254-L265 HydrophobicContact CD1-CD1 3.88Å; L254-L265 HydrophobicContact CD1-CD2 4.3Å |
| 255 | W | 94.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 176.2 | -175.6 | -105.9 | 0 | 0 | 0 | 113 | I239 L242 H243 A246 M251 K252 R253 D257 I258 L259 | I239-W255 HydrophobicContact CG2-CH2 3.82Å; I239-W255 HydrophobicContact CG2-CZ3 4.06Å; L242-W255 HydrophobicContact CB-CE3 3.99Å; L242-W255 HydrophobicContact CB-CZ3 3.87Å; L242-W255 HydrophobicContact CD1-CE3 4.4Å; L242-W255 HydrophobicContact CD1-CZ3 4.29Å; H243-W255 AromaticContact CD2-CH2 3.33Å; H243-W255 WeakPolarHBondContact CD2-CH2 3.33Å; H243-W255 AromaticContact CD2-CZ2 3.8Å; H243-W255 AromaticContact CD2-CZ3 3.99Å; H243-W255 AromaticContact NE2-CH2 3.39Å; H243-W255 WeakPolarHBondContact NE2-CH2 3.39Å; H243-W255 AromaticContact NE2-CZ2 3.82Å; A246-W255 HydrophobicContact CB-CB 3.98Å; A246-W255 HydrophobicContact CB-CD2 3.71Å; A246-W255 HydrophobicContact CB-CE3 4.33Å; A246-W255 HydrophobicContact CB-CG 3.51Å; M251-W255 WeakPolarHBondContact O-CB 3.39Å; M251-W255 PolarHBondContact O-N 2.76Å; K252-W255 WeakPolarHBondContact O-CB 3.17Å; K252-W255 PolarHBondContact O-N 3.18Å; K252-W255 VanDerWaalsContact O-N 3.13Å; R253-W255 VanDerWaalsContact C-N 3.28Å; R253-W255 PolarHBondContact O-N 2.88Å; W255-D257 VanDerWaalsContact C-N 3.33Å; W255-I258 PolarHBondContact O-N 2.86Å; W255-L259 HydrophobicContact CZ2-CD1 4.17Å; W255-L259 HydrophobicContact CZ2-CD2 4.36Å; W255-L259 HydrophobicContact CZ2-CG 4.34Å; W255-L259 VanDerWaalsContact NE1-CD1 3.31Å; W255-L259 PolarHBondContact O-N 3.09Å |
| 256 | D | 93 | Very high | 91.5 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.2 | -71.4 | -36.8 | 0 | 0 | 0 | 110.7 | K252 R253 L259 Q260 | K252-D256 PolarHBondContact O-N 2.76Å; R253-D256 PolarHBondContact O-N 3.14Å; D256-L259 PolarHBondContact O-N 2.86Å; D256-Q260 VanDerWaalsContact O-CB 3.29Å; D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 WeakPolarHBondContact O-CG 3.33Å; D256-Q260 PolarHBondContact O-N 3.06Å |
| 257 | D | 93.2 | Very high | 91.4 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.4 | -68.3 | -38.2 | 0 | 0 | 0 | 112.3 | R225 R253 W255 L259 N261 I262 L265 | R225-D257 IonicContact CZ-OD2 2.9Å; R225-D257 IonicContact NH1-OD2 3.53Å; R225-D257 PolarHBondContact NH1-OD2 3.27Å; R225-D257 IonicContact NH2-OD2 3.67Å; R225-D257 PolarHBondContact NH2-OD2 2.93Å; R253-D257 WeakPolarHBondContact O-CB 3.45Å; R253-D257 PolarHBondContact O-N 3.36Å; R253-D257 VanDerWaalsContact O-OD2 3.08Å; W255-D257 VanDerWaalsContact C-N 3.33Å; D257-L259 VanDerWaalsContact C-N 3.3Å; D257-L259 PolarHBondContact O-N 3.1Å; D257-N261 CarbonylContact O-C 3.57Å; D257-N261 WeakPolarHBondContact O-CA 3.35Å; D257-N261 PolarHBondContact O-N 2.88Å; D257-I262 PolarHBondContact O-N 3.4Å; D257-I262 VanDerWaalsContact O-N 3.13Å; D257-L265 HydrophobicContact CB-CD1 3.94Å; D257-L265 HydrophobicContact CB-CD2 4.28Å; D257-L265 HydrophobicContact CB-CG 4.24Å |
| 258 | I | 93.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 176.4 | -73.2 | 165.1 | 0 | 0 | 0 | 111.7 | F228 L242 L254 W255 L265 L272 | F228-I258 HydrophobicContact CE2-CD1 3.9Å; F228-I258 HydrophobicContact CE2-CG1 3.72Å; F228-I258 HydrophobicContact CZ-CG1 4.11Å; L242-I258 HydrophobicContact CD1-CD1 3.81Å; L254-I258 HydrophobicContact CD1-CD1 4.17Å; L254-I258 HydrophobicContact CD1-CG1 4.45Å; L254-I258 HydrophobicContact CG-CD1 4.08Å; L254-I258 WeakPolarHBondContact O-CD1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.39Å; L254-I258 PolarHBondContact O-N 3.24Å; W255-I258 PolarHBondContact O-N 2.86Å; I258-L265 HydrophobicContact CG1-CD1 3.56Å; I258-L272 HydrophobicContact CG2-CD1 4.08Å |
| 259 | L | 89.5 | Confident | 91.3 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 38% | 0.382 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -81.3 | -34.4 | -178.9 | -74.7 | 176.8 | 0 | 0 | 0 | 113.8 | W255 D256 D257 L272 Y432 | W255-L259 HydrophobicContact CZ2-CD1 4.17Å; W255-L259 HydrophobicContact CZ2-CD2 4.36Å; W255-L259 HydrophobicContact CZ2-CG 4.34Å; W255-L259 VanDerWaalsContact NE1-CD1 3.31Å; W255-L259 PolarHBondContact O-N 3.09Å; D256-L259 PolarHBondContact O-N 2.86Å; D257-L259 VanDerWaalsContact C-N 3.3Å; D257-L259 PolarHBondContact O-N 3.1Å; L259-L272 HydrophobicContact CD2-CD2 3.76Å; L259-Y432 HydrophobicContact CD2-CE2 4.27Å |
| 260 | Q | 88.9 | Confident | 91.2 | Very high | 157 Ų | 157 | 60 Ų | 60 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -108.5 | -26.5 | -168.7 | -58.7 | 178.8 | 44.1 | 0 | 0 | 113.7 | D256 | D256-Q260 VanDerWaalsContact O-CB 3.29Å; D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 WeakPolarHBondContact O-CG 3.33Å; D256-Q260 PolarHBondContact O-N 3.06Å |
| 261 | N | 89 | Confident | 90.9 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -154 | 49.7 | -168.7 | -167.5 | 13.3 | 0 | 0 | 0 | 112.5 | D257 S263 S264 | D257-N261 CarbonylContact O-C 3.57Å; D257-N261 WeakPolarHBondContact O-CA 3.35Å; D257-N261 PolarHBondContact O-N 2.88Å; N261-S263 PolarHBondContact O-N 3.28Å; N261-S263 VanDerWaalsContact O-N 3.09Å; N261-S264 WeakPolarHBondContact O-CB 3.36Å; N261-S264 PolarHBondContact O-N 3.1Å; N261-S264 PolarHBondContact O-OG 3.13Å | ||
| 262 | I | 92 | Very high | 90.8 | Very high | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.8 | -176.8 | -165.8 | 171.6 | 0 | 0 | 0 | 113.1 | F228 D257 S264 L265 S266 F269 S270 I275 | F228-I262 HydrophobicContact CE1-CD1 4.13Å; F228-I262 HydrophobicContact CE1-CG1 3.97Å; F228-I262 HydrophobicContact CZ-CD1 4.15Å; F228-I262 HydrophobicContact CZ-CG1 4.08Å; D257-I262 PolarHBondContact O-N 3.4Å; D257-I262 VanDerWaalsContact O-N 3.13Å; I262-S264 PolarHBondContact O-N 3.42Å; I262-S264 VanDerWaalsContact O-N 3.12Å; I262-L265 PolarHBondContact O-N 2.73Å; I262-S266 PolarHBondContact O-N 3.46Å; I262-F269 HydrophobicContact CD1-CB 4.18Å; I262-S270 WeakPolarHBondContact CG2-O 3.22Å; I262-I275 HydrophobicContact CD1-CD1 3.9Å |
| 263 | S | 88.6 | Confident | 90.8 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -63.5 | -10.4 | 174.6 | -41.9 | 0 | 0 | 0 | 0 | 114.8 | N261 | N261-S263 PolarHBondContact O-N 3.28Å; N261-S263 VanDerWaalsContact O-N 3.09Å |
| 264 | S | 90.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 55 Ų | 55 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -86.1 | -18.7 | 169.8 | 69 | 0 | 0 | 0 | 0 | 113.5 | N261 I262 | N261-S264 WeakPolarHBondContact O-CB 3.36Å; N261-S264 PolarHBondContact O-N 3.1Å; N261-S264 PolarHBondContact O-OG 3.13Å; I262-S264 PolarHBondContact O-N 3.42Å; I262-S264 VanDerWaalsContact O-N 3.12Å |
| 265 | L | 91.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -31.6 | 177.1 | -54.3 | 176.8 | 0 | 0 | 0 | 111.7 | R225 F228 L254 D257 I258 I262 | R225-L265 HydrophobicContact CG-CD2 4.46Å; F228-L265 HydrophobicContact CB-CB 4.11Å; F228-L265 VanDerWaalsContact CB-O 3.31Å; F228-L265 WeakPolarHBondContact CB-O 3.36Å; F228-L265 HydrophobicContact CD1-CB 4.06Å; F228-L265 HydrophobicContact CD2-CB 3.9Å; F228-L265 HydrophobicContact CD2-CD1 3.96Å; F228-L265 HydrophobicContact CE1-CB 4.48Å; F228-L265 HydrophobicContact CE2-CB 4.35Å; F228-L265 HydrophobicContact CE2-CD1 3.84Å; F228-L265 HydrophobicContact CG-CB 3.74Å; F228-L265 HydrophobicContact CZ-CD1 4.39Å; L254-L265 HydrophobicContact CD1-CD1 3.88Å; L254-L265 HydrophobicContact CD1-CD2 4.3Å; D257-L265 HydrophobicContact CB-CD1 3.94Å; D257-L265 HydrophobicContact CB-CD2 4.28Å; D257-L265 HydrophobicContact CB-CG 4.24Å; I258-L265 HydrophobicContact CG1-CD1 3.56Å; I262-L265 PolarHBondContact O-N 2.73Å |
| 266 | S | 89.6 | Confident | 90.7 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | trans | -121.7 | 140.9 | -167.4 | -171.7 | 0 | 0 | 0 | 0 | 113.4 | D229 I262 H268 F269 | D229-S266 VanDerWaalsContact OD1-CA 3.32Å; D229-S266 WeakPolarHBondContact OD1-CA 3.44Å; D229-S266 VanDerWaalsContact OD1-CB 3.27Å; D229-S266 WeakPolarHBondContact OD1-CB 3.35Å; D229-S266 PolarHBondContact OD1-OG 2.91Å; I262-S266 PolarHBondContact O-N 3.46Å; S266-H268 PolarHBondContact OG-N 3.09Å; S266-H268 VanDerWaalsContact OG-N 3.09Å; S266-F269 WeakPolarHBondContact OG-CB 3.4Å; S266-F269 PolarHBondContact OG-N 3.1Å | ||
| 267 | S | 88 | Confident | 90.7 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -99.1 | -3.4 | 167.4 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | D229 | D229-S267 PolarHBondContact OD2-N 3.1Å; D229-S267 VanDerWaalsContact OD2-N 3.15Å; D229-S267 PolarHBondContact OD2-OG 2.98Å |
| 268 | H | 88.9 | Confident | 90.7 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 63% | 0.625 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -126.9 | -25.1 | -168.3 | -68.3 | -21.6 | 0 | 0 | 0 | 114.3 | D229 S266 | D229-H268 IonicContact OD2-CD2 3.85Å; D229-H268 IonicContact OD2-CG 3.43Å; S266-H268 PolarHBondContact OG-N 3.09Å; S266-H268 VanDerWaalsContact OG-N 3.09Å |
| 269 | F | 89.6 | Confident | 90.7 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | trans | -110.6 | 118.6 | -178.7 | -65.2 | -76.9 | 0 | 0 | 0 | 110.3 | A232 I262 S266 E274 I275 I278 | A232-F269 HydrophobicContact CB-CD2 3.77Å; A232-F269 HydrophobicContact CB-CE2 3.35Å; A232-F269 HydrophobicContact CB-CZ 3.88Å; I262-F269 HydrophobicContact CD1-CB 4.18Å; S266-F269 WeakPolarHBondContact OG-CB 3.4Å; S266-F269 PolarHBondContact OG-N 3.1Å; F269-E274 VanDerWaalsContact CA-OE2 3.29Å; F269-E274 WeakPolarHBondContact CA-OE2 3.45Å; F269-E274 HydrophobicContact CD1-CB 3.79Å; F269-E274 HydrophobicContact CE1-CB 4.38Å; F269-I275 HydrophobicContact CB-CG1 4.48Å; F269-I275 HydrophobicContact CD1-CG1 3.78Å; F269-I275 HydrophobicContact CE1-CG1 4.08Å; F269-I275 HydrophobicContact CG-CD1 4.3Å; F269-I275 HydrophobicContact CG-CG1 4.01Å; F269-I278 HydrophobicContact CE1-CD1 3.74Å; F269-I278 HydrophobicContact CZ-CD1 3.92Å | ||
| 270 | S | 86.9 | Confident | 90.9 | Very high | 89 Ų | 89 | 52.9 Ų | 52.9 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -87.8 | -16.8 | 179.8 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | I262 E274 | I262-S270 WeakPolarHBondContact CG2-O 3.22Å; S270-E274 WeakPolarHBondContact CA-OE1 3.32Å; S270-E274 WeakPolarHBondContact CB-OE1 3.47Å; S270-E274 PolarHBondContact N-OE1 3.09Å; S270-E274 PolarHBondContact N-OE2 3.4Å; S270-E274 PolarHBondContact OG-OE1 2.98Å |
| 271 | S | 88.7 | Confident | 91.1 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -155.1 | 152.1 | -174.9 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | T273 E274 | S271-T273 PolarHBondContact O-N 2.66Å; S271-T273 WeakPolarHBondContact OG-CB 3.49Å; S271-E274 WeakPolarHBondContact CB-OE1 3.29Å; S271-E274 PolarHBondContact N-OE1 3.38Å; S271-E274 PolarHBondContact O-N 3.1Å; S271-E274 PolarHBondContact OG-OE1 2.67Å |
| 272 | L | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -30.4 | 172.2 | 176.2 | 59.9 | 0 | 0 | 0 | 112.5 | I239 I258 L259 E274 I275 L276 Y432 | I239-L272 HydrophobicContact CD1-CD1 3.61Å; I239-L272 HydrophobicContact CG1-CD1 3.9Å; I239-L272 HydrophobicContact CG2-CD1 4.25Å; I258-L272 HydrophobicContact CG2-CD1 4.08Å; L259-L272 HydrophobicContact CD2-CD2 3.76Å; L272-E274 PolarHBondContact O-N 2.9Å; L272-I275 PolarHBondContact O-N 3.11Å; L272-I275 VanDerWaalsContact O-N 3.1Å; L272-L276 HydrophobicContact CD1-CG 4.38Å; L272-L276 HydrophobicContact CD2-CD1 4.47Å; L272-L276 HydrophobicContact CG-CD1 4Å; L272-L276 HydrophobicContact CG-CG 4.3Å; L272-L276 PolarHBondContact O-N 3.22Å; L272-L276 VanDerWaalsContact O-N 3.11Å; L272-Y432 HydrophobicContact CD2-CE2 4.04Å |
| 273 | T | 92 | Very high | 90.9 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -47.4 | -45.6 | 174 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | S271 I275 L276 E277 M435 | S271-T273 PolarHBondContact O-N 2.66Å; S271-T273 WeakPolarHBondContact OG-CB 3.49Å; T273-I275 VanDerWaalsContact C-N 3.33Å; T273-I275 PolarHBondContact O-N 2.73Å; T273-L276 PolarHBondContact O-N 3.49Å; T273-E277 WeakPolarHBondContact O-CB 3.26Å; T273-E277 WeakPolarHBondContact O-CG 3.38Å; T273-E277 PolarHBondContact O-N 2.85Å; T273-M435 HydrophobicContact CG2-CE 3.61Å; T273-M435 HydrophobicContact CG2-CG 4.24Å; T273-M435 HydrophobicContact CG2-SD 3.73Å |
| 274 | E | 92.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | -177.2 | -67.6 | 151.2 | -121.4 | 0 | 0 | 112.3 | F269 S270 S271 L272 I278 | F269-E274 VanDerWaalsContact CA-OE2 3.29Å; F269-E274 WeakPolarHBondContact CA-OE2 3.45Å; F269-E274 HydrophobicContact CD1-CB 3.79Å; F269-E274 HydrophobicContact CE1-CB 4.38Å; S270-E274 WeakPolarHBondContact CA-OE1 3.32Å; S270-E274 WeakPolarHBondContact CB-OE1 3.47Å; S270-E274 PolarHBondContact N-OE1 3.09Å; S270-E274 PolarHBondContact N-OE2 3.4Å; S270-E274 PolarHBondContact OG-OE1 2.98Å; S271-E274 WeakPolarHBondContact CB-OE1 3.29Å; S271-E274 PolarHBondContact N-OE1 3.38Å; S271-E274 PolarHBondContact O-N 3.1Å; S271-E274 PolarHBondContact OG-OE1 2.67Å; L272-E274 PolarHBondContact O-N 2.9Å; E274-I278 WeakPolarHBondContact O-CG1 3.16Å |
| 275 | I | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -76.3 | -38.2 | 178.6 | -55.6 | 178.6 | 0 | 0 | 0 | 110.8 | F228 A232 G235 R236 I239 I262 F269 L272 T273 E277 I278 | F228-I275 HydrophobicContact CE1-CD1 3.85Å; F228-I275 HydrophobicContact CZ-CD1 3.76Å; A232-I275 HydrophobicContact CB-CD1 3.71Å; A232-I275 HydrophobicContact CB-CG1 4.08Å; A232-I275 HydrophobicContact CB-CG2 4.48Å; G235-I275 CarbonylContact C-O 3.29Å; R236-I275 PolarHBondContact N-O 3.41Å; I239-I275 HydrophobicContact CD1-CG2 3.91Å; I239-I275 HydrophobicContact CG1-CG2 3.94Å; I262-I275 HydrophobicContact CD1-CD1 3.9Å; F269-I275 HydrophobicContact CB-CG1 4.48Å; F269-I275 HydrophobicContact CD1-CG1 3.78Å; F269-I275 HydrophobicContact CE1-CG1 4.08Å; F269-I275 HydrophobicContact CG-CD1 4.3Å; F269-I275 HydrophobicContact CG-CG1 4.01Å; L272-I275 PolarHBondContact O-N 3.11Å; L272-I275 VanDerWaalsContact O-N 3.1Å; T273-I275 VanDerWaalsContact C-N 3.33Å; T273-I275 PolarHBondContact O-N 2.73Å; I275-E277 VanDerWaalsContact C-N 3.32Å; I275-I278 PolarHBondContact O-N 2.98Å |
| 276 | L | 94.2 | Very high | 91 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 175 | -69.1 | 171 | 0 | 0 | 0 | 112.2 | R236 I239 L272 T273 I278 F388 Y431 Y432 M435 | R236-L276 PolarHBondContact NE-O 3.39Å; R236-L276 VanDerWaalsContact NE-O 3.15Å; I239-L276 HydrophobicContact CB-CD2 4.1Å; I239-L276 HydrophobicContact CG1-CD2 4.11Å; I239-L276 HydrophobicContact CG2-CD2 4.06Å; L272-L276 HydrophobicContact CD1-CG 4.38Å; L272-L276 HydrophobicContact CD2-CD1 4.47Å; L272-L276 HydrophobicContact CG-CD1 4Å; L272-L276 HydrophobicContact CG-CG 4.3Å; L272-L276 PolarHBondContact O-N 3.22Å; L272-L276 VanDerWaalsContact O-N 3.11Å; T273-L276 PolarHBondContact O-N 3.49Å; L276-I278 VanDerWaalsContact C-N 3.26Å; L276-I278 PolarHBondContact O-N 3.26Å; L276-F388 HydrophobicContact CB-CD1 4.24Å; L276-F388 HydrophobicContact CB-CD2 4.34Å; L276-F388 HydrophobicContact CB-CE1 3.97Å; L276-F388 HydrophobicContact CB-CE2 4.08Å; L276-F388 HydrophobicContact CB-CG 4.43Å; L276-F388 HydrophobicContact CB-CZ 3.9Å; L276-F388 HydrophobicContact CD1-CE1 4.29Å; L276-F388 HydrophobicContact CD1-CZ 3.95Å; L276-F388 HydrophobicContact CD2-CE2 3.99Å; L276-F388 HydrophobicContact CD2-CZ 4.08Å; L276-F388 HydrophobicContact CG-CE2 4.47Å; L276-F388 HydrophobicContact CG-CZ 4.2Å; L276-Y431 HydrophobicContact CD1-CE1 4.44Å; L276-Y431 HydrophobicContact CD2-CE1 4.19Å; L276-Y432 HydrophobicContact CD1-CD1 4.16Å; L276-M435 HydrophobicContact CB-SD 4.5Å; L276-M435 HydrophobicContact CD1-SD 3.79Å |
| 277 | E | 92.4 | Very high | 91.1 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -26.6 | 173.5 | -78.7 | -99.5 | 112.9 | 0 | 0 | 113.5 | R236 T273 I275 T279 K390 R438 | R236-E277 PolarHBondContact NH2-O 3.04Å; T273-E277 WeakPolarHBondContact O-CB 3.26Å; T273-E277 WeakPolarHBondContact O-CG 3.38Å; T273-E277 PolarHBondContact O-N 2.85Å; I275-E277 VanDerWaalsContact C-N 3.32Å; E277-T279 PolarHBondContact O-N 3.5Å; E277-K390 VanDerWaalsContact CD-CE 3.43Å; E277-K390 VanDerWaalsContact CD-NZ 3.33Å; E277-K390 VanDerWaalsContact OE1-CE 3.28Å; E277-K390 WeakPolarHBondContact OE1-CE 3.39Å; E277-K390 IonicContact OE1-NZ 3.46Å; E277-K390 WeakPolarHBondContact OE2-CE 3.39Å; E277-K390 IonicContact OE2-NZ 2.66Å; E277-K390 PolarHBondContact OE2-NZ 2.69Å; E277-R438 IonicContact OE1-CZ 2.95Å; E277-R438 IonicContact OE1-NE 3.41Å; E277-R438 PolarHBondContact OE1-NE 3.26Å; E277-R438 IonicContact OE1-NH2 2.77Å; E277-R438 PolarHBondContact OE1-NH2 3.46Å |
| 278 | I | 93.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -76.4 | 118.8 | 178.1 | -64.2 | 168.1 | 0 | 0 | 0 | 110.4 | G235 R236 F269 E274 I275 L276 | G235-I278 WeakPolarHBondContact CA-O 3.45Å; R236-I278 PolarHBondContact N-O 3.32Å; R236-I278 PolarHBondContact NE-O 2.97Å; F269-I278 HydrophobicContact CE1-CD1 3.74Å; F269-I278 HydrophobicContact CZ-CD1 3.92Å; E274-I278 WeakPolarHBondContact O-CG1 3.16Å; I275-I278 PolarHBondContact O-N 2.98Å; L276-I278 VanDerWaalsContact C-N 3.26Å; L276-I278 PolarHBondContact O-N 3.26Å |
| 279 | T | 92.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 126.9 | 170.8 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | R236 E277 | R236-T279 PolarHBondContact NH1-OG1 3.49Å; R236-T279 PolarHBondContact NH2-OG1 3.35Å; E277-T279 PolarHBondContact O-N 3.5Å |
| 280 | T | 93.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 129.5 | -174.7 | -67 | 0 | 0 | 0 | 0 | 113 | I234 D237 F284 T285 | I234-T280 HydrophobicContact CG2-CG2 4.21Å; I234-T280 VanDerWaalsContact O-CA 3.23Å; I234-T280 WeakPolarHBondContact O-CA 3.35Å; I234-T280 VanDerWaalsContact O-CB 3.23Å; I234-T280 WeakPolarHBondContact O-CB 3.4Å; I234-T280 WeakPolarHBondContact O-CG2 3.47Å; I234-T280 PolarHBondContact O-OG1 2.9Å; D237-T280 HydrophobicContact CB-CG2 4.05Å; D237-T280 WeakPolarHBondContact CB-OG1 3.09Å; D237-T280 PolarHBondContact N-OG1 3.29Å; T280-F284 HydrophobicContact CG2-CB 4.13Å; T280-F284 HydrophobicContact CG2-CD2 4.25Å; T280-T285 HydrophobicContact CG2-CG2 3.99Å |
| 281 | P | 92.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 34% | 0.344 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 136.9 | 175.3 | -27.1 | 35.7 | 0 | 0 | 0 | 114.1 | C283 F284 | P281-C283 PolarHBondContact O-N 3.29Å; P281-C283 VanDerWaalsContact O-N 3.09Å; P281-F284 HydrophobicContact CB-CD2 3.91Å; P281-F284 HydrophobicContact CB-CE2 4.04Å; P281-F284 HydrophobicContact CG-CD2 4.15Å; P281-F284 HydrophobicContact CG-CE2 3.99Å; P281-F284 PolarHBondContact O-N 2.82Å |
| 282 | Q | 89.6 | Confident | 91.7 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -24.2 | -176.5 | -69.4 | -176 | -43.1 | 0 | 0 | 114.4 | F284 T285 Q286 T342 Y343 Y345 | Q282-F284 PolarHBondContact O-N 2.88Å; Q282-T285 PolarHBondContact O-N 3.23Å; Q282-T285 PolarHBondContact O-OG1 3.45Å; Q282-Q286 PolarHBondContact O-N 3.29Å; Q282-T342 PolarHBondContact NE2-O 3.23Å; Q282-Y343 HydrophobicContact CB-CD2 4.02Å; Q282-Y343 HydrophobicContact CB-CE2 4.31Å; Q282-Y343 WeakPolarHBondContact O-CD2 3.31Å; Q282-Y345 PolarHBondContact NE2-OH 3.4Å |
| 283 | C | 88.1 | Confident | 91.7 | Very high | 43 Ų | 43 | 27.1 Ų | 27.1 | 29% | 0.291 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.4 | -29.4 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | F175 P281 | F175-C283 HydrophobicContact CE2-CB 4.14Å; P281-C283 PolarHBondContact O-N 3.29Å; P281-C283 VanDerWaalsContact O-N 3.09Å |
| 284 | F | 92.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 4% | 0.044 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -78.5 | -46.6 | 171.9 | -57.2 | -65.5 | 0 | 0 | 0 | 111.2 | P178 L179 Y182 I234 T280 P281 Q282 Q286 T287 | P178-F284 HydrophobicContact CB-CE1 3.88Å; P178-F284 HydrophobicContact CB-CZ 3.84Å; L179-F284 HydrophobicContact CB-CD1 4.38Å; L179-F284 HydrophobicContact CB-CE1 4.06Å; L179-F284 HydrophobicContact CD1-CD1 4.18Å; Y182-F284 HydrophobicContact CD1-CB 3.99Å; Y182-F284 HydrophobicContact CD2-CB 4.36Å; Y182-F284 HydrophobicContact CE1-CB 3.83Å; Y182-F284 WeakPolarHBondContact CE1-O 3.4Å; Y182-F284 HydrophobicContact CE2-CB 4.19Å; Y182-F284 HydrophobicContact CG-CB 4.25Å; Y182-F284 HydrophobicContact CG-CD1 4.45Å; I234-F284 HydrophobicContact CG1-CE1 4.37Å; I234-F284 HydrophobicContact CG1-CE2 4.22Å; I234-F284 HydrophobicContact CG1-CZ 4.13Å; I234-F284 HydrophobicContact CG2-CD2 4.37Å; T280-F284 HydrophobicContact CG2-CB 4.13Å; T280-F284 HydrophobicContact CG2-CD2 4.25Å; P281-F284 HydrophobicContact CB-CD2 3.91Å; P281-F284 HydrophobicContact CB-CE2 4.04Å; P281-F284 HydrophobicContact CG-CD2 4.15Å; P281-F284 HydrophobicContact CG-CE2 3.99Å; P281-F284 PolarHBondContact O-N 2.82Å; Q282-F284 PolarHBondContact O-N 2.88Å; F284-Q286 PolarHBondContact O-N 3.29Å; F284-Q286 VanDerWaalsContact O-N 3.15Å; F284-T287 PolarHBondContact O-N 3.43Å; F284-T287 PolarHBondContact O-OG1 2.92Å |
| 285 | T | 91 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -20.6 | -178.2 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | T280 Q282 T287 L288 T342 | T280-T285 HydrophobicContact CG2-CG2 3.99Å; Q282-T285 PolarHBondContact O-N 3.23Å; Q282-T285 PolarHBondContact O-OG1 3.45Å; T285-T287 PolarHBondContact O-N 3.22Å; T285-L288 HydrophobicContact CG2-CD1 4.48Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 WeakPolarHBondContact O-CG 3.18Å; T285-T342 WeakPolarHBondContact CB-OG1 3.4Å; T285-T342 WeakPolarHBondContact CG2-OG1 3.31Å; T285-T342 PolarHBondContact OG1-OG1 3.14Å |
| 286 | Q | 90.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 30 Ų | 30 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -64.1 | -34.3 | 170.3 | -156.9 | 178.9 | -10.1 | 0 | 0 | 113.6 | R138 Q282 F284 L288 E294 Y339 Y343 | R138-Q286 PolarHBondContact NH2-O 3Å; Q282-Q286 PolarHBondContact O-N 3.29Å; F284-Q286 PolarHBondContact O-N 3.29Å; F284-Q286 VanDerWaalsContact O-N 3.15Å; Q286-L288 VanDerWaalsContact C-N 3.29Å; Q286-L288 PolarHBondContact O-N 3.4Å; Q286-E294 VanDerWaalsContact CG-OE2 3.3Å; Q286-E294 WeakPolarHBondContact CG-OE2 3.33Å; Q286-E294 PolarHBondContact NE2-OE1 2.98Å; Q286-E294 VanDerWaalsContact NE2-OE1 3.07Å; Q286-E294 PolarHBondContact NE2-OE2 3.29Å; Q286-Y339 HydrophobicContact CG-CE2 4.09Å; Q286-Y343 HydrophobicContact CB-CD2 3.61Å; Q286-Y343 HydrophobicContact CB-CE2 3.47Å; Q286-Y343 VanDerWaalsContact CB-CE2 3.47Å; Q286-Y343 VanDerWaalsContact CD-CE2 3.43Å; Q286-Y343 VanDerWaalsContact CD-CZ 3.45Å; Q286-Y343 VanDerWaalsContact CD-OH 3.23Å; Q286-Y343 HydrophobicContact CG-CD2 3.85Å; Q286-Y343 HydrophobicContact CG-CE2 3.45Å; Q286-Y343 VanDerWaalsContact CG-CE2 3.45Å; Q286-Y343 HydrophobicContact CG-CG 4.5Å; Q286-Y343 PolarHBondContact NE2-OH 3.41Å; Q286-Y343 VanDerWaalsContact OE1-CE2 3.27Å; Q286-Y343 PolarHBondContact OE1-OH 3.35Å |
| 287 | T | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -87.4 | 2.8 | -175.7 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | L134 R138 L179 R186 F284 T285 I289 | L134-T287 HydrophobicContact CD1-CG2 4.09Å; L134-T287 HydrophobicContact CG-CG2 3.99Å; R138-T287 HydrophobicContact CG-CG2 3.89Å; L179-T287 HydrophobicContact CD1-CG2 3.88Å; L179-T287 WeakPolarHBondContact CD1-OG1 3.48Å; R186-T287 PolarHBondContact NE-O 3.3Å; R186-T287 PolarHBondContact NH2-O 3.01Å; F284-T287 PolarHBondContact O-N 3.43Å; F284-T287 PolarHBondContact O-OG1 2.92Å; T285-T287 PolarHBondContact O-N 3.22Å; T287-I289 VanDerWaalsContact C-N 3.26Å; T287-I289 PolarHBondContact O-N 3.27Å |
| 288 | L | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -64.2 | -28.6 | 168.6 | -67.5 | 178 | 0 | 0 | 0 | 113 | Y182 T285 Q286 C335 R338 | Y182-L288 HydrophobicContact CE1-CD2 3.53Å; Y182-L288 HydrophobicContact CE1-CG 3.97Å; T285-L288 HydrophobicContact CG2-CD1 4.48Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 WeakPolarHBondContact O-CG 3.18Å; Q286-L288 VanDerWaalsContact C-N 3.29Å; Q286-L288 PolarHBondContact O-N 3.4Å; L288-C335 HydrophobicContact CB-CB 4.06Å; L288-C335 WeakPolarHBondContact O-CB 3.43Å; L288-R338 HydrophobicContact CD1-CB 3.49Å; L288-R338 VanDerWaalsContact CD1-CB 3.49Å; L288-R338 HydrophobicContact CD1-CG 4.16Å |
| 289 | I | 93.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -123 | 147.2 | 178.8 | 67.2 | 173.2 | 0 | 0 | 0 | 113 | R138 T287 M293 E294 V297 C335 L336 Y339 | R138-I289 PolarHBondContact NE-O 2.89Å; R138-I289 VanDerWaalsContact NE-O 3.11Å; R138-I289 PolarHBondContact NH2-O 3.13Å; T287-I289 VanDerWaalsContact C-N 3.26Å; T287-I289 PolarHBondContact O-N 3.27Å; I289-M293 HydrophobicContact CB-CB 4.46Å; I289-M293 HydrophobicContact CB-CG 4.49Å; I289-M293 HydrophobicContact CB-SD 3.83Å; I289-M293 HydrophobicContact CG2-SD 3.85Å; I289-E294 HydrophobicContact CD1-CB 3.9Å; I289-E294 HydrophobicContact CG1-CB 4.18Å; I289-V297 HydrophobicContact CD1-CG1 4.27Å; I289-C335 HydrophobicContact CG2-CB 4.31Å; I289-L336 HydrophobicContact CD1-CD1 3.88Å; I289-L336 HydrophobicContact CG2-CB 4.32Å; I289-L336 HydrophobicContact CG2-CD1 4.26Å; I289-Y339 HydrophobicContact CD1-CD1 3.57Å; I289-Y339 HydrophobicContact CD1-CD2 3.64Å; I289-Y339 HydrophobicContact CD1-CE1 3.75Å; I289-Y339 HydrophobicContact CD1-CE2 3.77Å; I289-Y339 HydrophobicContact CD1-CG 3.52Å; I289-Y339 HydrophobicContact CG1-CD1 4.47Å; I289-Y339 HydrophobicContact CG1-CD2 3.64Å; I289-Y339 HydrophobicContact CG1-CE2 3.87Å; I289-Y339 HydrophobicContact CG1-CG 3.95Å |
| 290 | P | 91.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 10% | 0.097 | 13% | 0.132 | C | C | . | . | trans | -57.1 | 148.3 | 173.8 | -25.5 | 35.1 | 0 | 0 | 0 | 112.6 | R138 T141 E292 M293 E294 | R138-P290 WeakPolarHBondContact O-CA 3.27Å; T141-P290 HydrophobicContact CG2-CG 3.69Å; T141-P290 WeakPolarHBondContact OG1-CG 3.3Å; P290-E292 PolarHBondContact O-N 2.99Å; P290-M293 HydrophobicContact CB-CB 4.28Å; P290-M293 WeakPolarHBondContact O-CB 3.29Å; P290-M293 PolarHBondContact O-N 2.95Å; P290-E294 PolarHBondContact O-N 3.19Å | ||
| 291 | H | 88 | Confident | 91.5 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 13% | 0.125 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.8 | -36.3 | -178.7 | -177.9 | 62.6 | 0 | 0 | 0 | 112.9 | E294 Q295 | H291-E294 IonicContact CE1-OE1 3.67Å; H291-E294 IonicContact ND1-OE1 3.19Å; H291-E294 PolarHBondContact ND1-OE1 2.94Å; H291-E294 WeakPolarHBondContact O-CB 3.49Å; H291-E294 PolarHBondContact O-N 2.84Å; H291-Q295 PolarHBondContact CD2-NE2 3.21Å; H291-Q295 VanDerWaalsContact CD2-NE2 3.31Å; H291-Q295 PolarHBondContact NE2-NE2 3.47Å; H291-Q295 WeakPolarHBondContact O-CG 3.46Å; H291-Q295 PolarHBondContact O-N 3.07Å |
| 292 | E | 88.4 | Confident | 91.5 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 27% | 0.271 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68 | -37.4 | 176.7 | -171.9 | 171.7 | 174.3 | 0 | 0 | 112.9 | R139 P290 Q295 W296 K322 F323 | R139-E292 IonicContact NH1-OE2 3.65Å; P290-E292 PolarHBondContact O-N 2.99Å; E292-Q295 PolarHBondContact O-N 2.98Å; E292-W296 PolarHBondContact O-N 3.42Å; E292-W296 VanDerWaalsContact O-N 3.09Å; E292-K322 VanDerWaalsContact OE1-CE 3.27Å; E292-K322 WeakPolarHBondContact OE1-CE 3.44Å; E292-K322 IonicContact OE1-NZ 2.93Å; E292-K322 PolarHBondContact OE1-NZ 3.39Å; E292-F323 HydrophobicContact CG-CZ 4.4Å |
| 293 | M | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 173.8 | -167.4 | -173.2 | -166 | 0 | 0 | 111.1 | I289 P290 W296 V297 F319 F323 F324 L332 L336 | I289-M293 HydrophobicContact CB-CB 4.46Å; I289-M293 HydrophobicContact CB-CG 4.49Å; I289-M293 HydrophobicContact CB-SD 3.83Å; I289-M293 HydrophobicContact CG2-SD 3.85Å; P290-M293 HydrophobicContact CB-CB 4.28Å; P290-M293 WeakPolarHBondContact O-CB 3.29Å; P290-M293 PolarHBondContact O-N 2.95Å; M293-W296 PolarHBondContact O-N 2.87Å; M293-V297 PolarHBondContact O-N 3.33Å; M293-F319 HydrophobicContact CE-CE1 3.57Å; M293-F319 HydrophobicContact CE-CZ 3.67Å; M293-F319 HydrophobicContact CG-CE1 4.26Å; M293-F319 HydrophobicContact CG-CE2 4.24Å; M293-F319 HydrophobicContact CG-CZ 3.53Å; M293-F319 HydrophobicContact SD-CZ 4.48Å; M293-F323 HydrophobicContact CB-CD1 4.21Å; M293-F323 HydrophobicContact CB-CE1 3.87Å; M293-F323 HydrophobicContact CB-CE2 4.41Å; M293-F323 HydrophobicContact CB-CZ 3.98Å; M293-F323 HydrophobicContact CE-CB 4.12Å; M293-F323 HydrophobicContact CE-CG 4.46Å; M293-F323 HydrophobicContact CG-CD1 4.15Å; M293-F323 HydrophobicContact CG-CD2 4.17Å; M293-F323 HydrophobicContact CG-CE1 4.24Å; M293-F323 HydrophobicContact CG-CE2 4.26Å; M293-F323 HydrophobicContact CG-CG 4.12Å; M293-F323 HydrophobicContact CG-CZ 4.29Å; M293-F324 HydrophobicContact CE-CE1 3.71Å; M293-F324 HydrophobicContact CE-CZ 3.69Å; M293-L332 HydrophobicContact CE-CD1 4.31Å; M293-L332 HydrophobicContact CE-CD2 3.87Å; M293-L332 HydrophobicContact CE-CG 3.76Å; M293-L332 HydrophobicContact SD-CD1 3.82Å; M293-L332 HydrophobicContact SD-CD2 3.97Å; M293-L332 HydrophobicContact SD-CG 3.9Å; M293-L336 HydrophobicContact CE-CB 4Å; M293-L336 HydrophobicContact CE-CD1 4Å; M293-L336 HydrophobicContact CE-CD2 3.94Å; M293-L336 HydrophobicContact CE-CG 4.19Å; M293-L336 HydrophobicContact SD-CD1 4.42Å |
| 294 | E | 92.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 171.2 | 150.1 | 167 | 124.4 | 0 | 0 | 112.3 | R138 Q286 I289 P290 H291 W296 V297 R298 Y339 | R138-E294 IonicContact CZ-OE1 2.65Å; R138-E294 IonicContact CZ-OE2 2.73Å; R138-E294 IonicContact NH1-OE1 2.7Å; R138-E294 PolarHBondContact NH1-OE1 3.19Å; R138-E294 IonicContact NH1-OE2 3.13Å; R138-E294 PolarHBondContact NH1-OE2 2.84Å; R138-E294 IonicContact NH2-OE1 3.39Å; R138-E294 IonicContact NH2-OE2 2.78Å; R138-E294 PolarHBondContact NH2-OE2 3.31Å; Q286-E294 VanDerWaalsContact CG-OE2 3.3Å; Q286-E294 WeakPolarHBondContact CG-OE2 3.33Å; Q286-E294 PolarHBondContact NE2-OE1 2.98Å; Q286-E294 VanDerWaalsContact NE2-OE1 3.07Å; Q286-E294 PolarHBondContact NE2-OE2 3.29Å; I289-E294 HydrophobicContact CD1-CB 3.9Å; I289-E294 HydrophobicContact CG1-CB 4.18Å; P290-E294 PolarHBondContact O-N 3.19Å; H291-E294 IonicContact CE1-OE1 3.67Å; H291-E294 IonicContact ND1-OE1 3.19Å; H291-E294 PolarHBondContact ND1-OE1 2.94Å; H291-E294 WeakPolarHBondContact O-CB 3.49Å; H291-E294 PolarHBondContact O-N 2.84Å; E294-W296 VanDerWaalsContact C-N 3.3Å; E294-W296 PolarHBondContact O-N 3.32Å; E294-V297 PolarHBondContact O-N 2.71Å; E294-R298 VanDerWaalsContact CG-CZ 3.48Å; E294-R298 VanDerWaalsContact O-CB 3.24Å; E294-R298 WeakPolarHBondContact O-CB 3.35Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.17Å; E294-R298 PolarHBondContact O-N 3.28Å; E294-R298 IonicContact OE1-CZ 3.22Å; E294-R298 IonicContact OE1-NH1 3.53Å; E294-R298 PolarHBondContact OE1-NH1 3.47Å; E294-R298 IonicContact OE1-NH2 2.76Å; E294-R298 PolarHBondContact OE1-NH2 3.36Å; E294-R298 IonicContact OE2-CZ 2.66Å; E294-R298 IonicContact OE2-NH1 3.18Å; E294-R298 IonicContact OE2-NH2 2.83Å; E294-R298 PolarHBondContact OE2-NH2 2.98Å; E294-Y339 VanDerWaalsContact CD-OH 3.26Å; E294-Y339 VanDerWaalsContact CG-OH 3.28Å; E294-Y339 WeakPolarHBondContact CG-OH 3.44Å; E294-Y339 VanDerWaalsContact OE2-CE2 3.31Å; E294-Y339 WeakPolarHBondContact OE2-CE2 3.5Å; E294-Y339 PolarHBondContact OE2-OH 3.14Å |
| 295 | Q | 91 | Very high | 91.5 | Very high | 74 Ų | 74 | 27.4 Ų | 27.4 | 35% | 0.346 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -56.9 | -46.3 | 175.4 | -72.5 | 175 | 0.5 | 0 | 0 | 110.8 | H291 E292 W299 | H291-Q295 PolarHBondContact CD2-NE2 3.21Å; H291-Q295 VanDerWaalsContact CD2-NE2 3.31Å; H291-Q295 PolarHBondContact NE2-NE2 3.47Å; H291-Q295 WeakPolarHBondContact O-CG 3.46Å; H291-Q295 PolarHBondContact O-N 3.07Å; E292-Q295 PolarHBondContact O-N 2.98Å; Q295-W299 WeakPolarHBondContact O-CB 3.18Å; Q295-W299 PolarHBondContact O-N 2.94Å |
| 296 | W | 93.5 | Very high | 91.2 | Very high | 94 Ų | 94 | 28.8 Ų | 28.8 | 36% | 0.356 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.8 | -46.4 | -178.7 | -81.3 | 52.2 | 0 | 0 | 0 | 112.8 | E292 M293 E294 W299 M300 F318 F319 K322 F323 | E292-W296 PolarHBondContact O-N 3.42Å; E292-W296 VanDerWaalsContact O-N 3.09Å; M293-W296 PolarHBondContact O-N 2.87Å; E294-W296 VanDerWaalsContact C-N 3.3Å; E294-W296 PolarHBondContact O-N 3.32Å; W296-W299 PolarHBondContact O-N 3.02Å; W296-M300 WeakPolarHBondContact O-CB 3.27Å; W296-M300 PolarHBondContact O-N 3.24Å; W296-F318 HydrophobicContact CZ3-CB 4.08Å; W296-F319 HydrophobicContact CB-CD2 3.88Å; W296-F319 HydrophobicContact CB-CE2 3.79Å; W296-F319 HydrophobicContact CE3-CD2 4.38Å; W296-K322 HydrophobicContact CD2-CD 4.18Å; W296-K322 VanDerWaalsContact CE2-NZ 3.31Å; W296-K322 HydrophobicContact CE3-CD 4.13Å; W296-K322 HydrophobicContact CH2-CD 3.72Å; W296-K322 HydrophobicContact CZ2-CD 3.75Å; W296-K322 VanDerWaalsContact CZ2-NZ 3.31Å; W296-K322 HydrophobicContact CZ3-CD 3.9Å; W296-F323 HydrophobicContact CB-CE2 4Å; W296-F323 HydrophobicContact CB-CZ 4.47Å; W296-F323 HydrophobicContact CD2-CE2 4.03Å; W296-F323 HydrophobicContact CD2-CZ 4.45Å; W296-F323 HydrophobicContact CE3-CE2 4.1Å; W296-F323 AromaticContact CG-CE2 3.97Å; W296-F323 HydrophobicContact CG-CE2 3.97Å; W296-F323 HydrophobicContact CG-CZ 4.23Å |
| 297 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.1 | -38.4 | -177.9 | 82.8 | 0 | 0 | 0 | 0 | 111.9 | I289 M293 E294 M300 M301 F319 L336 Y339 V340 V361 | I289-V297 HydrophobicContact CD1-CG1 4.27Å; M293-V297 PolarHBondContact O-N 3.33Å; E294-V297 PolarHBondContact O-N 2.71Å; V297-M300 HydrophobicContact CG2-CE 4.16Å; V297-M300 PolarHBondContact O-N 3.42Å; V297-M301 HydrophobicContact CG1-CE 4.25Å; V297-M301 HydrophobicContact CG2-CE 4.03Å; V297-M301 PolarHBondContact O-N 3.03Å; V297-F319 HydrophobicContact CB-CE2 3.79Å; V297-F319 HydrophobicContact CB-CZ 4.15Å; V297-F319 HydrophobicContact CG2-CE2 4.28Å; V297-F319 HydrophobicContact CG2-CZ 4.45Å; V297-L336 HydrophobicContact CB-CD1 4.14Å; V297-L336 HydrophobicContact CG1-CD1 4.02Å; V297-L336 HydrophobicContact CG2-CD1 4.03Å; V297-Y339 HydrophobicContact CG1-CD1 4.3Å; V297-Y339 HydrophobicContact CG1-CE1 3.95Å; V297-V340 HydrophobicContact CG2-CG2 4.4Å; V297-V361 HydrophobicContact CG2-CG1 4.43Å |
| 298 | R | 92.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 33.8 Ų | 33.8 | 24% | 0.242 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 171.9 | -73.5 | -173.9 | -176 | 146.5 | 1.6 | 110.6 | E294 K302 Y339 Y343 F344 | E294-R298 VanDerWaalsContact CG-CZ 3.48Å; E294-R298 VanDerWaalsContact O-CB 3.24Å; E294-R298 WeakPolarHBondContact O-CB 3.35Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.17Å; E294-R298 PolarHBondContact O-N 3.28Å; E294-R298 IonicContact OE1-CZ 3.22Å; E294-R298 IonicContact OE1-NH1 3.53Å; E294-R298 PolarHBondContact OE1-NH1 3.47Å; E294-R298 IonicContact OE1-NH2 2.76Å; E294-R298 PolarHBondContact OE1-NH2 3.36Å; E294-R298 IonicContact OE2-CZ 2.66Å; E294-R298 IonicContact OE2-NH1 3.18Å; E294-R298 IonicContact OE2-NH2 2.83Å; E294-R298 PolarHBondContact OE2-NH2 2.98Å; R298-K302 VanDerWaalsContact O-CB 3.22Å; R298-K302 WeakPolarHBondContact O-CB 3.02Å; R298-K302 VanDerWaalsContact O-CG 3.29Å; R298-K302 WeakPolarHBondContact O-CG 3.48Å; R298-K302 PolarHBondContact O-N 2.93Å; R298-Y339 PolarHBondContact NE-OH 3.22Å; R298-Y339 PolarHBondContact NH2-OH 3.35Å; R298-Y343 PolarHBondContact NH2-OH 3.03Å; R298-F344 HydrophobicContact CB-CE2 4.4Å; R298-F344 HydrophobicContact CG-CD2 4.03Å; R298-F344 HydrophobicContact CG-CE2 4.11Å |
| 299 | W | 92.9 | Very high | 88.6 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 17% | 0.167 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.5 | -177.5 | 87 | 0 | 0 | 0 | 110.5 | Q295 W296 M301 K302 N303 V304 Y315 H805 T806 | Q295-W299 WeakPolarHBondContact O-CB 3.18Å; Q295-W299 PolarHBondContact O-N 2.94Å; W296-W299 PolarHBondContact O-N 3.02Å; W299-M301 PolarHBondContact O-N 3.37Å; W299-K302 PolarHBondContact O-N 3.4Å; W299-N303 VanDerWaalsContact CD1-CG 3.43Å; W299-N303 HydrophobicContact CD2-CB 4.01Å; W299-N303 HydrophobicContact CG-CB 4.41Å; W299-N303 HydrophobicContact CH2-CB 4.18Å; W299-N303 HydrophobicContact CZ2-CB 3.61Å; W299-N303 PolarHBondContact NE1-ND2 2.95Å; W299-N303 PolarHBondContact NE1-OD1 3.49Å; W299-N303 WeakPolarHBondContact O-CB 3.29Å; W299-N303 PolarHBondContact O-N 3.07Å; W299-N303 PolarHBondContact O-ND2 3.33Å; W299-V304 HydrophobicContact CE3-CG2 4.3Å; W299-V304 HydrophobicContact CH2-CG2 3.73Å; W299-V304 HydrophobicContact CZ3-CG2 3.44Å; W299-V304 VanDerWaalsContact CZ3-CG2 3.44Å; W299-Y315 AromaticContact CH2-CD1 3.98Å; W299-Y315 HydrophobicContact CH2-CD1 3.98Å; W299-Y315 AromaticContact CH2-CE1 3.56Å; W299-Y315 HydrophobicContact CH2-CE1 3.56Å; W299-Y315 AromaticContact CZ3-CD1 3.59Å; W299-Y315 HydrophobicContact CZ3-CD1 3.59Å; W299-Y315 AromaticContact CZ3-CE1 3.7Å; W299-Y315 HydrophobicContact CZ3-CE1 3.7Å; W299-Y315 HydrophobicContact CZ3-CG 4.44Å; W299-H805 PolarHBondContact NE1-O 3.05Å; W299-T806 HydrophobicContact CZ2-CG2 4.05Å; W299-T806 WeakPolarHBondContact CZ2-OG1 3.49Å; W299-T806 PolarHBondContact NE1-OG1 2.96Å |
| 300 | M | 92.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.3 | -53.8 | 178.1 | -176.7 | 172 | 68.8 | 0 | 0 | 112 | W296 V297 K302 N303 V304 Q316 I356 V361 W364 | W296-M300 WeakPolarHBondContact O-CB 3.27Å; W296-M300 PolarHBondContact O-N 3.24Å; V297-M300 HydrophobicContact CG2-CE 4.16Å; V297-M300 PolarHBondContact O-N 3.42Å; M300-K302 VanDerWaalsContact C-N 3.35Å; M300-K302 PolarHBondContact O-N 2.68Å; M300-N303 PolarHBondContact O-N 2.65Å; M300-V304 HydrophobicContact CG-CG2 4.26Å; M300-V304 WeakPolarHBondContact O-CB 3.45Å; M300-V304 PolarHBondContact O-N 3.01Å; M300-Q316 HydrophobicContact SD-CG 4.12Å; M300-I356 HydrophobicContact CG-CD1 3.79Å; M300-I356 HydrophobicContact SD-CD1 4.44Å; M300-V361 HydrophobicContact CE-CG1 4.28Å; M300-V361 HydrophobicContact CE-CG2 4.22Å; M300-W364 HydrophobicContact CE-CE3 4.46Å; M300-W364 HydrophobicContact CE-CZ3 4.01Å |
| 301 | M | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.4 | -26.4 | -179.7 | -66.5 | -176.6 | -66.1 | 0 | 0 | 114 | V297 W299 V340 F344 M350 R358 V361 | V297-M301 HydrophobicContact CG1-CE 4.25Å; V297-M301 HydrophobicContact CG2-CE 4.03Å; V297-M301 PolarHBondContact O-N 3.03Å; W299-M301 PolarHBondContact O-N 3.37Å; M301-V340 HydrophobicContact CE-CG2 4.17Å; M301-V340 HydrophobicContact SD-CG1 4.16Å; M301-V340 HydrophobicContact SD-CG2 4.4Å; M301-F344 HydrophobicContact CB-CD1 4.45Å; M301-F344 HydrophobicContact CB-CE1 3.55Å; M301-F344 HydrophobicContact CB-CE2 4.44Å; M301-F344 HydrophobicContact CB-CZ 3.53Å; M301-F344 HydrophobicContact CE-CB 4Å; M301-F344 HydrophobicContact CE-CD1 3.3Å; M301-F344 HydrophobicContact CE-CD2 3.75Å; M301-F344 HydrophobicContact CE-CE1 3.56Å; M301-F344 HydrophobicContact CE-CE2 3.97Å; M301-F344 HydrophobicContact CE-CG 3.39Å; M301-F344 HydrophobicContact CE-CZ 3.88Å; M301-F344 HydrophobicContact CG-CE1 4.17Å; M301-F344 HydrophobicContact SD-CD1 3.59Å; M301-F344 VanDerWaalsContact SD-CD1 3.59Å; M301-F344 HydrophobicContact SD-CE1 3.62Å; M301-F344 HydrophobicContact SD-CG 4.3Å; M301-F344 HydrophobicContact SD-CZ 4.35Å; M301-M350 WeakPolarHBondContact O-CE 3.32Å; M301-R358 HydrophobicContact SD-CG 4.45Å; M301-V361 HydrophobicContact CG-CG2 3.72Å; M301-V361 HydrophobicContact SD-CB 4.4Å; M301-V361 HydrophobicContact SD-CG2 3.87Å |
| 302 | K | 92.7 | Very high | 86.7 | Confident | 63 Ų | 63 | 44 Ų | 44 | 27% | 0.274 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -87 | -20.7 | 177.5 | -69 | -139.1 | 169.2 | -139.2 | 0 | 114 | R298 W299 M300 F344 D347 M350 L355 R804 | R298-K302 VanDerWaalsContact O-CB 3.22Å; R298-K302 WeakPolarHBondContact O-CB 3.02Å; R298-K302 VanDerWaalsContact O-CG 3.29Å; R298-K302 WeakPolarHBondContact O-CG 3.48Å; R298-K302 PolarHBondContact O-N 2.93Å; W299-K302 PolarHBondContact O-N 3.4Å; M300-K302 VanDerWaalsContact C-N 3.35Å; M300-K302 PolarHBondContact O-N 2.68Å; K302-F344 HydrophobicContact CG-CE2 4.09Å; K302-F344 HydrophobicContact CG-CZ 3.96Å; K302-D347 IonicContact NZ-OD2 3.19Å; K302-D347 PolarHBondContact NZ-OD2 2.85Å; K302-M350 HydrophobicContact CB-CE 4.42Å; K302-M350 HydrophobicContact CB-SD 4.48Å; K302-M350 HydrophobicContact CD-SD 3.74Å; K302-M350 VanDerWaalsContact CE-SD 3.52Å; K302-M350 HydrophobicContact CG-CE 3.89Å; K302-M350 HydrophobicContact CG-SD 3.72Å; K302-M350 PolarHBondContact NZ-SD 3.43Å; K302-L355 VanDerWaalsContact O-CD1 3.26Å; K302-L355 WeakPolarHBondContact O-CD1 3.42Å; K302-L355 WeakPolarHBondContact O-CD2 3.18Å; K302-R804 PolarHBondContact O-NH1 3.03Å; K302-R804 PolarHBondContact O-NH2 2.9Å |
| 303 | N | 91.9 | Very high | 86.5 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -124.6 | -30.7 | -166.3 | -64.2 | -104.8 | 0 | 0 | 0 | 115.2 | W299 M300 R804 T806 F826 | W299-N303 VanDerWaalsContact CD1-CG 3.43Å; W299-N303 HydrophobicContact CD2-CB 4.01Å; W299-N303 HydrophobicContact CG-CB 4.41Å; W299-N303 HydrophobicContact CH2-CB 4.18Å; W299-N303 HydrophobicContact CZ2-CB 3.61Å; W299-N303 PolarHBondContact NE1-ND2 2.95Å; W299-N303 PolarHBondContact NE1-OD1 3.49Å; W299-N303 WeakPolarHBondContact O-CB 3.29Å; W299-N303 PolarHBondContact O-N 3.07Å; W299-N303 PolarHBondContact O-ND2 3.33Å; M300-N303 PolarHBondContact O-N 2.65Å; N303-R804 PolarHBondContact ND2-NH1 2.66Å; N303-R804 WeakPolarHBondContact OD1-CD 3.4Å; N303-R804 VanDerWaalsContact OD1-CG 3.27Å; N303-R804 WeakPolarHBondContact OD1-CG 3.49Å; N303-R804 PolarHBondContact OD1-NH1 3.39Å; N303-T806 PolarHBondContact OD1-OG1 3.41Å; N303-F826 HydrophobicContact CB-CZ 4.4Å; N303-F826 WeakPolarHBondContact OD1-CE2 3.26Å; N303-F826 WeakPolarHBondContact OD1-CZ 3.37Å |
| 304 | V | 89.6 | Confident | 86.4 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | trans | -88.3 | 128 | -175.7 | -176 | 0 | 0 | 0 | 0 | 108.5 | W299 M300 V310 V312 Y315 L355 I356 | W299-V304 HydrophobicContact CE3-CG2 4.3Å; W299-V304 HydrophobicContact CH2-CG2 3.73Å; W299-V304 HydrophobicContact CZ3-CG2 3.44Å; W299-V304 VanDerWaalsContact CZ3-CG2 3.44Å; M300-V304 HydrophobicContact CG-CG2 4.26Å; M300-V304 WeakPolarHBondContact O-CB 3.45Å; M300-V304 PolarHBondContact O-N 3.01Å; V304-V310 HydrophobicContact CG1-CG1 4.08Å; V304-V312 HydrophobicContact CG1-CG2 4.12Å; V304-Y315 HydrophobicContact CB-CD2 4.35Å; V304-Y315 HydrophobicContact CB-CE2 4.5Å; V304-Y315 HydrophobicContact CG1-CD2 3.56Å; V304-Y315 HydrophobicContact CG1-CE2 3.69Å; V304-Y315 HydrophobicContact CG1-CG 4.34Å; V304-Y315 HydrophobicContact CG2-CD1 3.98Å; V304-Y315 HydrophobicContact CG2-CD2 3.76Å; V304-Y315 HydrophobicContact CG2-CE1 4.15Å; V304-Y315 HydrophobicContact CG2-CE2 3.94Å; V304-Y315 HydrophobicContact CG2-CG 3.76Å; V304-L355 CarbonylContact O-C 3.51Å; V304-L355 WeakPolarHBondContact O-CA 3.35Å; V304-I356 HydrophobicContact CB-CD1 3.67Å; V304-I356 HydrophobicContact CB-CG1 4.25Å; V304-I356 HydrophobicContact CG1-CD1 3.66Å; V304-I356 HydrophobicContact CG1-CG1 4.26Å; V304-I356 WeakPolarHBondContact O-CG1 3.08Å; V304-I356 PolarHBondContact O-N 3.04Å | ||
| 305 | H | 88.9 | Confident | 86.3 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 133.9 | 177.9 | -68.3 | -96.3 | 0 | 0 | 0 | 111 | V307 V310 V312 T354 | H305-V307 VanDerWaalsContact C-N 3.28Å; H305-V307 HydrophobicContact CB-CG1 4.45Å; H305-V307 HydrophobicContact CB-CG2 4.08Å; H305-V307 PolarHBondContact O-N 2.95Å; H305-V310 HydrophobicContact CB-CG2 4.43Å; H305-V310 WeakPolarHBondContact O-CB 3.38Å; H305-V310 WeakPolarHBondContact O-CG1 3.28Å; H305-V312 WeakPolarHBondContact O-CG2 3.25Å; H305-T354 CarbonylContact C-O 3.58Å; H305-T354 WeakPolarHBondContact CA-O 3.46Å; H305-T354 WeakPolarHBondContact CB-O 3.34Å; H305-T354 PolarHBondContact ND1-OG1 2.7Å |
| 306 | C | 84.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -92.9 | 56.6 | 178.3 | -151.6 | 0 | 0 | 0 | 0 | 110.4 | T354 I356 | C306-T354 PolarHBondContact N-O 2.88Å; C306-I356 HydrophobicContact CB-CB 4.49Å; C306-I356 HydrophobicContact CB-CG1 4.01Å | ||
| 307 | V | 81.3 | Confident | 86.1 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -115.9 | 155.4 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | H305 V310 T354 | H305-V307 VanDerWaalsContact C-N 3.28Å; H305-V307 HydrophobicContact CB-CG1 4.45Å; H305-V307 HydrophobicContact CB-CG2 4.08Å; H305-V307 PolarHBondContact O-N 2.95Å; V307-V310 HydrophobicContact CG2-CB 4.08Å; V307-V310 HydrophobicContact CG2-CG2 3.5Å; V307-V310 VanDerWaalsContact CG2-CG2 3.5Å; V307-V310 PolarHBondContact O-N 2.85Å; V307-T354 HydrophobicContact CG1-CG2 3.99Å |
| 308 | P | 66 | Low | 85.9 | Confident | 95 Ų | 95 | 54.4 Ų | 54.4 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 144.7 | 166.1 | -26.6 | 35.5 | 0 | 0 | 0 | 111.5 | V310 | P308-V310 VanDerWaalsContact C-N 3.28Å; P308-V310 PolarHBondContact O-N 3.27Å |
| 309 | R | 71.2 | Confident | 85.9 | Confident | 135 Ų | 135 | 51.4 Ų | 51.4 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -16.1 | -173.8 | -48.9 | 169.6 | -178.5 | -137.4 | 7.4 | 116.7 | P311 D1026 M1029 | R309-P311 WeakPolarHBondContact O-CD 3.13Å; R309-D1026 VanDerWaalsContact CD-OD2 3.26Å; R309-D1026 WeakPolarHBondContact CD-OD2 3.42Å; R309-D1026 IonicContact CZ-OD1 3.23Å; R309-D1026 IonicContact CZ-OD2 2.88Å; R309-D1026 IonicContact NE-OD1 3.91Å; R309-D1026 IonicContact NE-OD2 3.36Å; R309-D1026 IonicContact NH1-OD1 2.67Å; R309-D1026 IonicContact NH1-OD2 3.51Å; R309-D1026 PolarHBondContact NH1-OD2 3.41Å; R309-M1029 PolarHBondContact NH1-SD 2.95Å |
| 310 | V | 73.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -85.2 | 122.6 | 171.7 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | V304 H305 V307 P308 V312 | V304-V310 HydrophobicContact CG1-CG1 4.08Å; H305-V310 HydrophobicContact CB-CG2 4.43Å; H305-V310 WeakPolarHBondContact O-CB 3.38Å; H305-V310 WeakPolarHBondContact O-CG1 3.28Å; V307-V310 HydrophobicContact CG2-CB 4.08Å; V307-V310 HydrophobicContact CG2-CG2 3.5Å; V307-V310 VanDerWaalsContact CG2-CG2 3.5Å; V307-V310 PolarHBondContact O-N 2.85Å; P308-V310 VanDerWaalsContact C-N 3.28Å; P308-V310 PolarHBondContact O-N 3.27Å; V310-V312 HydrophobicContact CG1-CG2 4.4Å; V310-V312 PolarHBondContact O-N 3.12Å |
| 311 | P | 78.2 | Confident | 85.8 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | trans | -79.7 | 69.4 | -177.5 | 33.6 | -36.5 | 0 | 0 | 0 | 111.4 | R309 H313 R314 | R309-P311 WeakPolarHBondContact O-CD 3.13Å; P311-H313 PolarHBondContact O-N 3.24Å; P311-H313 VanDerWaalsContact O-N 3.16Å; P311-R314 HydrophobicContact CB-CB 4.21Å; P311-R314 WeakPolarHBondContact O-CB 3.49Å; P311-R314 PolarHBondContact O-N 2.89Å | ||
| 312 | V | 81.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -48.3 | -42 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | V304 H305 V310 R314 Y315 Q316 I356 | V304-V312 HydrophobicContact CG1-CG2 4.12Å; H305-V312 WeakPolarHBondContact O-CG2 3.25Å; V310-V312 HydrophobicContact CG1-CG2 4.4Å; V310-V312 PolarHBondContact O-N 3.12Å; V312-R314 PolarHBondContact O-N 3.04Å; V312-Y315 PolarHBondContact O-N 3.44Å; V312-Y315 VanDerWaalsContact O-N 3.13Å; V312-Q316 HydrophobicContact CG1-CG 4.46Å; V312-Q316 PolarHBondContact O-N 2.83Å; V312-I356 HydrophobicContact CB-CD1 4.45Å; V312-I356 HydrophobicContact CG1-CD1 3.61Å; V312-I356 HydrophobicContact CG1-CG1 4.21Å; V312-I356 HydrophobicContact CG2-CD1 4.18Å; V312-I356 HydrophobicContact CG2-CG1 4.24Å |
| 313 | H | 85.3 | Confident | 85.7 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.9 | -32.8 | 177.3 | 68.6 | -95.9 | 0 | 0 | 0 | 112.9 | P311 Y315 Q316 D317 | P311-H313 PolarHBondContact O-N 3.24Å; P311-H313 VanDerWaalsContact O-N 3.16Å; H313-Y315 VanDerWaalsContact C-N 3.32Å; H313-Y315 PolarHBondContact O-N 2.89Å; H313-Q316 WeakPolarHBondContact O-CB 3.19Å; H313-Q316 PolarHBondContact O-N 3.22Å; H313-D317 VanDerWaalsContact O-CB 3.28Å; H313-D317 WeakPolarHBondContact O-CB 3.35Å; H313-D317 PolarHBondContact O-N 3.13Å |
| 314 | R | 89 | Confident | 85.6 | Confident | 118 Ų | 118 | 60.6 Ų | 60.6 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | -178.3 | -169.9 | 178.9 | -177.2 | 178.3 | 3.1 | 112 | P311 V312 F318 | P311-R314 HydrophobicContact CB-CB 4.21Å; P311-R314 WeakPolarHBondContact O-CB 3.49Å; P311-R314 PolarHBondContact O-N 2.89Å; V312-R314 PolarHBondContact O-N 3.04Å; R314-F318 HydrophobicContact CG-CD2 4.42Å; R314-F318 HydrophobicContact CG-CE2 3.86Å; R314-F318 HydrophobicContact CG-CZ 3.92Å; R314-F318 WeakPolarHBondContact O-CD2 3.36Å; R314-F318 WeakPolarHBondContact O-CG 3.32Å; R314-F318 PolarHBondContact O-N 3.34Å; R314-F318 VanDerWaalsContact O-N 3.1Å |
| 315 | Y | 90.2 | Very high | 85.4 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.6 | -39.5 | 175.1 | -59 | -79.5 | 0 | 0 | 0 | 111.5 | W299 V304 V312 H313 F318 F319 | W299-Y315 AromaticContact CH2-CD1 3.98Å; W299-Y315 HydrophobicContact CH2-CD1 3.98Å; W299-Y315 AromaticContact CH2-CE1 3.56Å; W299-Y315 HydrophobicContact CH2-CE1 3.56Å; W299-Y315 AromaticContact CZ3-CD1 3.59Å; W299-Y315 HydrophobicContact CZ3-CD1 3.59Å; W299-Y315 AromaticContact CZ3-CE1 3.7Å; W299-Y315 HydrophobicContact CZ3-CE1 3.7Å; W299-Y315 HydrophobicContact CZ3-CG 4.44Å; V304-Y315 HydrophobicContact CB-CD2 4.35Å; V304-Y315 HydrophobicContact CB-CE2 4.5Å; V304-Y315 HydrophobicContact CG1-CD2 3.56Å; V304-Y315 HydrophobicContact CG1-CE2 3.69Å; V304-Y315 HydrophobicContact CG1-CG 4.34Å; V304-Y315 HydrophobicContact CG2-CD1 3.98Å; V304-Y315 HydrophobicContact CG2-CD2 3.76Å; V304-Y315 HydrophobicContact CG2-CE1 4.15Å; V304-Y315 HydrophobicContact CG2-CE2 3.94Å; V304-Y315 HydrophobicContact CG2-CG 3.76Å; V312-Y315 PolarHBondContact O-N 3.44Å; V312-Y315 VanDerWaalsContact O-N 3.13Å; H313-Y315 VanDerWaalsContact C-N 3.32Å; H313-Y315 PolarHBondContact O-N 2.89Å; Y315-F318 PolarHBondContact O-N 3.39Å; Y315-F319 WeakPolarHBondContact O-CB 3.36Å; Y315-F319 PolarHBondContact O-N 3.33Å |
| 316 | Q | 90.4 | Very high | 85.2 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 171.7 | -72.8 | 172.4 | -18.4 | 0 | 0 | 111.3 | M300 V312 H313 F319 Q320 W364 | M300-Q316 HydrophobicContact SD-CG 4.12Å; V312-Q316 HydrophobicContact CG1-CG 4.46Å; V312-Q316 PolarHBondContact O-N 2.83Å; H313-Q316 WeakPolarHBondContact O-CB 3.19Å; H313-Q316 PolarHBondContact O-N 3.22Å; Q316-F319 WeakPolarHBondContact O-CB 3.45Å; Q316-F319 PolarHBondContact O-N 3.06Å; Q316-Q320 VanDerWaalsContact O-CB 3.23Å; Q316-Q320 WeakPolarHBondContact O-CB 3.2Å; Q316-Q320 PolarHBondContact O-N 2.96Å; Q316-W364 HydrophobicContact CB-CD2 4.27Å; Q316-W364 HydrophobicContact CB-CH2 4.48Å; Q316-W364 HydrophobicContact CB-CZ2 3.73Å; Q316-W364 HydrophobicContact CG-CD2 3.83Å; Q316-W364 HydrophobicContact CG-CE3 4.31Å; Q316-W364 HydrophobicContact CG-CG 4.14Å; Q316-W364 HydrophobicContact CG-CH2 4.49Å; Q316-W364 HydrophobicContact CG-CZ2 4.06Å; Q316-W364 WeakPolarHBondContact O-CZ2 3.4Å |
| 317 | D | 89.8 | Confident | 85.1 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57 | -49.6 | 173.4 | -90.6 | 18.2 | 0 | 0 | 0 | 112.6 | H313 F319 Q320 R321 | H313-D317 VanDerWaalsContact O-CB 3.28Å; H313-D317 WeakPolarHBondContact O-CB 3.35Å; H313-D317 PolarHBondContact O-N 3.13Å; D317-F319 VanDerWaalsContact C-N 3.29Å; D317-F319 PolarHBondContact O-N 3.42Å; D317-Q320 PolarHBondContact O-N 2.68Å; D317-R321 WeakPolarHBondContact O-CB 3.47Å; D317-R321 VanDerWaalsContact O-CG 3.22Å; D317-R321 WeakPolarHBondContact O-CG 3.3Å; D317-R321 PolarHBondContact O-N 3.02Å; D317-R321 IonicContact OD2-CZ 2.76Å; D317-R321 IonicContact OD2-NH2 2.67Å; D317-R321 PolarHBondContact OD2-NH2 3.19Å |
| 318 | F | 90.6 | Very high | 85.3 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 37% | 0.368 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.2 | -68.1 | -33.3 | 0 | 0 | 0 | 111.4 | W296 R314 Y315 K322 | W296-F318 HydrophobicContact CZ3-CB 4.08Å; R314-F318 HydrophobicContact CG-CD2 4.42Å; R314-F318 HydrophobicContact CG-CE2 3.86Å; R314-F318 HydrophobicContact CG-CZ 3.92Å; R314-F318 WeakPolarHBondContact O-CD2 3.36Å; R314-F318 WeakPolarHBondContact O-CG 3.32Å; R314-F318 PolarHBondContact O-N 3.34Å; R314-F318 VanDerWaalsContact O-N 3.1Å; Y315-F318 PolarHBondContact O-N 3.39Å; F318-K322 VanDerWaalsContact O-CB 3.27Å; F318-K322 WeakPolarHBondContact O-CB 3.25Å; F318-K322 PolarHBondContact O-N 2.88Å |
| 319 | F | 93 | Very high | 86.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 174.4 | -165.3 | -75 | 0 | 0 | 0 | 111.6 | M293 W296 V297 Y315 Q316 D317 K322 F323 F324 L336 W364 | M293-F319 HydrophobicContact CE-CE1 3.57Å; M293-F319 HydrophobicContact CE-CZ 3.67Å; M293-F319 HydrophobicContact CG-CE1 4.26Å; M293-F319 HydrophobicContact CG-CE2 4.24Å; M293-F319 HydrophobicContact CG-CZ 3.53Å; M293-F319 HydrophobicContact SD-CZ 4.48Å; W296-F319 HydrophobicContact CB-CD2 3.88Å; W296-F319 HydrophobicContact CB-CE2 3.79Å; W296-F319 HydrophobicContact CE3-CD2 4.38Å; V297-F319 HydrophobicContact CB-CE2 3.79Å; V297-F319 HydrophobicContact CB-CZ 4.15Å; V297-F319 HydrophobicContact CG2-CE2 4.28Å; V297-F319 HydrophobicContact CG2-CZ 4.45Å; Y315-F319 WeakPolarHBondContact O-CB 3.36Å; Y315-F319 PolarHBondContact O-N 3.33Å; Q316-F319 WeakPolarHBondContact O-CB 3.45Å; Q316-F319 PolarHBondContact O-N 3.06Å; D317-F319 VanDerWaalsContact C-N 3.29Å; D317-F319 PolarHBondContact O-N 3.42Å; F319-K322 PolarHBondContact O-N 3.39Å; F319-F323 HydrophobicContact CD1-CB 4.38Å; F319-F323 AromaticContact CD1-CD2 3.72Å; F319-F323 HydrophobicContact CD1-CD2 3.72Å; F319-F323 AromaticContact CD2-CD2 3.99Å; F319-F323 HydrophobicContact CD2-CD2 3.99Å; F319-F323 HydrophobicContact CD2-CE2 4.05Å; F319-F323 HydrophobicContact CE1-CB 4.19Å; F319-F323 AromaticContact CE1-CD2 3.7Å; F319-F323 HydrophobicContact CE1-CD2 3.7Å; F319-F323 HydrophobicContact CE1-CG 4.3Å; F319-F323 AromaticContact CE2-CD2 3.95Å; F319-F323 HydrophobicContact CE2-CD2 3.95Å; F319-F323 AromaticContact CE2-CE2 3.96Å; F319-F323 HydrophobicContact CE2-CE2 3.96Å; F319-F323 AromaticContact CG-CD2 3.88Å; F319-F323 HydrophobicContact CG-CD2 3.88Å; F319-F323 HydrophobicContact CG-CE2 4.36Å; F319-F323 AromaticContact CZ-CD2 3.83Å; F319-F323 HydrophobicContact CZ-CD2 3.83Å; F319-F323 HydrophobicContact CZ-CE2 4.23Å; F319-F323 WeakPolarHBondContact O-CD2 3.42Å; F319-F323 PolarHBondContact O-N 2.94Å; F319-F324 HydrophobicContact CD1-CD2 4.27Å; F319-F324 AromaticContact CD1-CE2 3.98Å; F319-F324 HydrophobicContact CD1-CE2 3.98Å; F319-F324 HydrophobicContact CE1-CD2 4.43Å; F319-F324 AromaticContact CE1-CE2 3.79Å; F319-F324 HydrophobicContact CE1-CE2 3.79Å; F319-F324 HydrophobicContact CE1-CZ 4.01Å; F319-L336 HydrophobicContact CE1-CD2 3.78Å; F319-L336 HydrophobicContact CZ-CD1 4.23Å; F319-L336 HydrophobicContact CZ-CD2 3.86Å; F319-W364 HydrophobicContact CB-CH2 4.1Å; F319-W364 AromaticContact CD1-CH2 3.64Å; F319-W364 HydrophobicContact CD1-CH2 3.64Å; F319-W364 HydrophobicContact CD1-CZ3 4.42Å; F319-W364 HydrophobicContact CE1-CH2 4.29Å; F319-W364 HydrophobicContact CG-CH2 4.01Å |
| 320 | Q | 90.6 | Very high | 87.3 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | -178.3 | 176 | 160.9 | -12.6 | 0 | 0 | 112.4 | Q316 D317 K322 F324 S325 W364 | Q316-Q320 VanDerWaalsContact O-CB 3.23Å; Q316-Q320 WeakPolarHBondContact O-CB 3.2Å; Q316-Q320 PolarHBondContact O-N 2.96Å; D317-Q320 PolarHBondContact O-N 2.68Å; Q320-K322 PolarHBondContact O-N 3.11Å; Q320-F324 HydrophobicContact CG-CB 4.22Å; Q320-F324 CarbonylContact O-C 3.57Å; Q320-F324 VanDerWaalsContact O-C 3.29Å; Q320-F324 VanDerWaalsContact O-CA 3.32Å; Q320-F324 WeakPolarHBondContact O-CA 3.44Å; Q320-F324 PolarHBondContact O-N 3.16Å; Q320-S325 PolarHBondContact O-N 3.41Å; Q320-W364 HydrophobicContact CB-CZ2 4.42Å |
| 321 | R | 90.8 | Very high | 88.1 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -30 | 174.4 | -66 | 170.3 | -148.4 | 178 | 4.5 | 112.3 | D317 S325 | D317-R321 WeakPolarHBondContact O-CB 3.47Å; D317-R321 VanDerWaalsContact O-CG 3.22Å; D317-R321 WeakPolarHBondContact O-CG 3.3Å; D317-R321 PolarHBondContact O-N 3.02Å; D317-R321 IonicContact OD2-CZ 2.76Å; D317-R321 IonicContact OD2-NH2 2.67Å; D317-R321 PolarHBondContact OD2-NH2 3.19Å; R321-S325 WeakPolarHBondContact O-CB 3.35Å; R321-S325 PolarHBondContact O-OG 3.31Å |
| 322 | K | 90.8 | Very high | 88.8 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -86.3 | -39.1 | -177.2 | -175.3 | 170.4 | 179.9 | 174.6 | 0 | 114.4 | E292 W296 F318 F319 Q320 | E292-K322 VanDerWaalsContact OE1-CE 3.27Å; E292-K322 WeakPolarHBondContact OE1-CE 3.44Å; E292-K322 IonicContact OE1-NZ 2.93Å; E292-K322 PolarHBondContact OE1-NZ 3.39Å; W296-K322 HydrophobicContact CD2-CD 4.18Å; W296-K322 VanDerWaalsContact CE2-NZ 3.31Å; W296-K322 HydrophobicContact CE3-CD 4.13Å; W296-K322 HydrophobicContact CH2-CD 3.72Å; W296-K322 HydrophobicContact CZ2-CD 3.75Å; W296-K322 VanDerWaalsContact CZ2-NZ 3.31Å; W296-K322 HydrophobicContact CZ3-CD 3.9Å; F318-K322 VanDerWaalsContact O-CB 3.27Å; F318-K322 WeakPolarHBondContact O-CB 3.25Å; F318-K322 PolarHBondContact O-N 2.88Å; F319-K322 PolarHBondContact O-N 3.39Å; Q320-K322 PolarHBondContact O-N 3.11Å |
| 323 | F | 91.7 | Very high | 89.4 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -120.4 | -15.5 | -171.5 | -58.1 | -68.8 | 0 | 0 | 0 | 114.7 | E292 M293 W296 F319 S329 L332 | E292-F323 HydrophobicContact CG-CZ 4.4Å; M293-F323 HydrophobicContact CB-CD1 4.21Å; M293-F323 HydrophobicContact CB-CE1 3.87Å; M293-F323 HydrophobicContact CB-CE2 4.41Å; M293-F323 HydrophobicContact CB-CZ 3.98Å; M293-F323 HydrophobicContact CE-CB 4.12Å; M293-F323 HydrophobicContact CE-CG 4.46Å; M293-F323 HydrophobicContact CG-CD1 4.15Å; M293-F323 HydrophobicContact CG-CD2 4.17Å; M293-F323 HydrophobicContact CG-CE1 4.24Å; M293-F323 HydrophobicContact CG-CE2 4.26Å; M293-F323 HydrophobicContact CG-CG 4.12Å; M293-F323 HydrophobicContact CG-CZ 4.29Å; W296-F323 HydrophobicContact CB-CE2 4Å; W296-F323 HydrophobicContact CB-CZ 4.47Å; W296-F323 HydrophobicContact CD2-CE2 4.03Å; W296-F323 HydrophobicContact CD2-CZ 4.45Å; W296-F323 HydrophobicContact CE3-CE2 4.1Å; W296-F323 AromaticContact CG-CE2 3.97Å; W296-F323 HydrophobicContact CG-CE2 3.97Å; W296-F323 HydrophobicContact CG-CZ 4.23Å; F319-F323 HydrophobicContact CD1-CB 4.38Å; F319-F323 AromaticContact CD1-CD2 3.72Å; F319-F323 HydrophobicContact CD1-CD2 3.72Å; F319-F323 AromaticContact CD2-CD2 3.99Å; F319-F323 HydrophobicContact CD2-CD2 3.99Å; F319-F323 HydrophobicContact CD2-CE2 4.05Å; F319-F323 HydrophobicContact CE1-CB 4.19Å; F319-F323 AromaticContact CE1-CD2 3.7Å; F319-F323 HydrophobicContact CE1-CD2 3.7Å; F319-F323 HydrophobicContact CE1-CG 4.3Å; F319-F323 AromaticContact CE2-CD2 3.95Å; F319-F323 HydrophobicContact CE2-CD2 3.95Å; F319-F323 AromaticContact CE2-CE2 3.96Å; F319-F323 HydrophobicContact CE2-CE2 3.96Å; F319-F323 AromaticContact CG-CD2 3.88Å; F319-F323 HydrophobicContact CG-CD2 3.88Å; F319-F323 HydrophobicContact CG-CE2 4.36Å; F319-F323 AromaticContact CZ-CD2 3.83Å; F319-F323 HydrophobicContact CZ-CD2 3.83Å; F319-F323 HydrophobicContact CZ-CE2 4.23Å; F319-F323 WeakPolarHBondContact O-CD2 3.42Å; F319-F323 PolarHBondContact O-N 2.94Å; F323-S329 WeakPolarHBondContact O-CB 3.3Å; F323-L332 HydrophobicContact CB-CD2 4.37Å |
| 324 | F | 91.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -125.9 | 18.7 | -173.1 | -62.6 | -36.8 | 0 | 0 | 0 | 113.9 | M293 F319 Q320 S329 L332 R333 L336 W364 | M293-F324 HydrophobicContact CE-CE1 3.71Å; M293-F324 HydrophobicContact CE-CZ 3.69Å; F319-F324 HydrophobicContact CD1-CD2 4.27Å; F319-F324 AromaticContact CD1-CE2 3.98Å; F319-F324 HydrophobicContact CD1-CE2 3.98Å; F319-F324 HydrophobicContact CE1-CD2 4.43Å; F319-F324 AromaticContact CE1-CE2 3.79Å; F319-F324 HydrophobicContact CE1-CE2 3.79Å; F319-F324 HydrophobicContact CE1-CZ 4.01Å; Q320-F324 HydrophobicContact CG-CB 4.22Å; Q320-F324 CarbonylContact O-C 3.57Å; Q320-F324 VanDerWaalsContact O-C 3.29Å; Q320-F324 VanDerWaalsContact O-CA 3.32Å; Q320-F324 WeakPolarHBondContact O-CA 3.44Å; Q320-F324 PolarHBondContact O-N 3.16Å; F324-S329 VanDerWaalsContact CA-OG 3.32Å; F324-S329 WeakPolarHBondContact CA-OG 3.39Å; F324-S329 PolarHBondContact O-OG 3.48Å; F324-L332 HydrophobicContact CE1-CB 4.29Å; F324-L332 HydrophobicContact CE1-CD2 4.31Å; F324-L332 HydrophobicContact CE1-CG 4.19Å; F324-R333 HydrophobicContact CD1-CG 3.88Å; F324-R333 HydrophobicContact CE1-CB 4.35Å; F324-R333 HydrophobicContact CE1-CG 3.61Å; F324-R333 HydrophobicContact CE2-CG 4.38Å; F324-R333 HydrophobicContact CG-CG 4.4Å; F324-R333 HydrophobicContact CZ-CB 4.48Å; F324-R333 HydrophobicContact CZ-CG 3.87Å; F324-L336 HydrophobicContact CE2-CD2 4.14Å; F324-L336 HydrophobicContact CZ-CB 4.48Å; F324-L336 HydrophobicContact CZ-CD2 3.72Å; F324-W364 HydrophobicContact CE2-CH2 4.15Å |
| 325 | S | 84.8 | Confident | 90.1 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | trans | -83.3 | -17.9 | -175.7 | 43.2 | 0 | 0 | 0 | 0 | 114.7 | Q320 R321 | Q320-S325 PolarHBondContact O-N 3.41Å; R321-S325 WeakPolarHBondContact O-CB 3.35Å; R321-S325 PolarHBondContact O-OG 3.31Å | ||
| 326 | T | 84.3 | Confident | 90.3 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -92.1 | 147.7 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | E328 S329 | T326-E328 WeakPolarHBondContact CB-OE2 3.27Å; T326-E328 PolarHBondContact O-N 2.82Å; T326-S329 WeakPolarHBondContact O-CB 3.5Å; T326-S329 PolarHBondContact O-N 3.23Å; T326-S329 PolarHBondContact O-OG 3.41Å; T326-S329 WeakPolarHBondContact OG1-CB 3.35Å; T326-S329 PolarHBondContact OG1-N 3.43Å |
| 327 | P | 82.4 | Confident | 90.6 | Very high | 97 Ų | 97 | 40 Ų | 40 | 63% | 0.63 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -65.3 | -24.1 | 175.4 | 25.3 | -31.3 | 0 | 0 | 0 | 112.9 | S329 Q330 | P327-S329 VanDerWaalsContact C-N 3.32Å; P327-S329 PolarHBondContact O-N 3Å; P327-Q330 WeakPolarHBondContact O-CG 3.32Å |
| 328 | E | 85.2 | Confident | 90.8 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -71.8 | -23.3 | 177.1 | -60.2 | 74.7 | -159.2 | 0 | 0 | 112.8 | G143 I145 T326 Q330 S331 | G143-E328 VanDerWaalsContact CA-O 3.28Å; G143-E328 WeakPolarHBondContact CA-O 3.35Å; I145-E328 HydrophobicContact CD1-CG 3.83Å; I145-E328 HydrophobicContact CG1-CG 3.97Å; I145-E328 HydrophobicContact CG2-CG 4.26Å; T326-E328 WeakPolarHBondContact CB-OE2 3.27Å; T326-E328 PolarHBondContact O-N 2.82Å; E328-Q330 PolarHBondContact O-N 3.49Å; E328-S331 PolarHBondContact O-OG 2.69Å |
| 329 | S | 90.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -64.5 | 8.6 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 116.1 | G143 F323 F324 T326 P327 L332 R333 | G143-S329 PolarHBondContact O-N 3.27Å; F323-S329 WeakPolarHBondContact O-CB 3.3Å; F324-S329 VanDerWaalsContact CA-OG 3.32Å; F324-S329 WeakPolarHBondContact CA-OG 3.39Å; F324-S329 PolarHBondContact O-OG 3.48Å; T326-S329 WeakPolarHBondContact O-CB 3.5Å; T326-S329 PolarHBondContact O-N 3.23Å; T326-S329 PolarHBondContact O-OG 3.41Å; T326-S329 WeakPolarHBondContact OG1-CB 3.35Å; T326-S329 PolarHBondContact OG1-N 3.43Å; P327-S329 VanDerWaalsContact C-N 3.32Å; P327-S329 PolarHBondContact O-N 3Å; S329-L332 PolarHBondContact O-N 2.83Å; S329-R333 PolarHBondContact O-N 2.64Å; S329-R333 PolarHBondContact O-NH1 2.95Å; S329-R333 PolarHBondContact OG-NH1 3.13Å |
| 330 | Q | 89.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | -179.9 | -57.5 | -70.6 | -42.1 | 0 | 0 | 111.8 | P327 E328 L332 R333 T370 C371 A374 | P327-Q330 WeakPolarHBondContact O-CG 3.32Å; E328-Q330 PolarHBondContact O-N 3.49Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.18Å; Q330-R333 WeakPolarHBondContact O-CB 3.39Å; Q330-R333 PolarHBondContact O-N 3.28Å; Q330-T370 PolarHBondContact NE2-OG1 3.45Å; Q330-C371 HydrophobicContact CB-CB 4.31Å; Q330-C371 HydrophobicContact CG-CB 3.97Å; Q330-A374 HydrophobicContact CB-CB 3.69Å |
| 331 | S | 90.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 173.5 | 45 | 0 | 0 | 0 | 0 | 112.1 | T142 G143 D190 E328 R333 V334 C335 | T142-S331 WeakPolarHBondContact OG1-CB 3.44Å; T142-S331 PolarHBondContact OG1-OG 3.43Å; G143-S331 WeakPolarHBondContact CA-OG 3.3Å; G143-S331 PolarHBondContact N-OG 3.08Å; D190-S331 VanDerWaalsContact OD1-CB 3.29Å; D190-S331 WeakPolarHBondContact OD1-CB 3.48Å; D190-S331 PolarHBondContact OD1-OG 2.8Å; E328-S331 PolarHBondContact O-OG 2.69Å; S331-R333 VanDerWaalsContact C-N 3.3Å; S331-R333 PolarHBondContact O-N 3.38Å; S331-V334 WeakPolarHBondContact O-CB 3.28Å; S331-V334 PolarHBondContact O-N 3.26Å; S331-C335 PolarHBondContact O-N 3.2Å; S331-C335 PolarHBondContact O-SG 3.25Å |
| 332 | L | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -29.7 | 176.1 | -167.5 | 63.8 | 0 | 0 | 0 | 113.3 | T141 T142 M293 F323 F324 S329 Q330 C335 L336 | T141-L332 HydrophobicContact CG2-CD1 4.48Å; T142-L332 HydrophobicContact CG2-CB 4.43Å; T142-L332 HydrophobicContact CG2-CD1 3.7Å; M293-L332 HydrophobicContact CE-CD1 4.31Å; M293-L332 HydrophobicContact CE-CD2 3.87Å; M293-L332 HydrophobicContact CE-CG 3.76Å; M293-L332 HydrophobicContact SD-CD1 3.82Å; M293-L332 HydrophobicContact SD-CD2 3.97Å; M293-L332 HydrophobicContact SD-CG 3.9Å; F323-L332 HydrophobicContact CB-CD2 4.37Å; F324-L332 HydrophobicContact CE1-CB 4.29Å; F324-L332 HydrophobicContact CE1-CD2 4.31Å; F324-L332 HydrophobicContact CE1-CG 4.19Å; S329-L332 PolarHBondContact O-N 2.83Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.18Å; L332-C335 PolarHBondContact O-N 2.78Å; L332-L336 PolarHBondContact O-N 3.31Å |
| 333 | R | 93.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 23 Ų | 23 | 4% | 0.038 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.6 | -65.7 | 167.3 | 174.8 | 60.9 | -7.1 | 111.6 | F324 S329 Q330 S331 C335 L336 L337 I365 Q368 | F324-R333 HydrophobicContact CD1-CG 3.88Å; F324-R333 HydrophobicContact CE1-CB 4.35Å; F324-R333 HydrophobicContact CE1-CG 3.61Å; F324-R333 HydrophobicContact CE2-CG 4.38Å; F324-R333 HydrophobicContact CG-CG 4.4Å; F324-R333 HydrophobicContact CZ-CB 4.48Å; F324-R333 HydrophobicContact CZ-CG 3.87Å; S329-R333 PolarHBondContact O-N 2.64Å; S329-R333 PolarHBondContact O-NH1 2.95Å; S329-R333 PolarHBondContact OG-NH1 3.13Å; Q330-R333 WeakPolarHBondContact O-CB 3.39Å; Q330-R333 PolarHBondContact O-N 3.28Å; S331-R333 VanDerWaalsContact C-N 3.3Å; S331-R333 PolarHBondContact O-N 3.38Å; R333-C335 VanDerWaalsContact C-N 3.32Å; R333-C335 PolarHBondContact O-N 2.7Å; R333-L336 PolarHBondContact O-N 3.3Å; R333-L337 PolarHBondContact O-N 3.11Å; R333-I365 HydrophobicContact CB-CG2 3.98Å; R333-Q368 PolarHBondContact NE-O 2.83Å; R333-Q368 PolarHBondContact NH2-O 3.37Å |
| 334 | V | 94 | Very high | 91.6 | Very high | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | S331 L337 R338 N377 A378 A381 | S331-V334 WeakPolarHBondContact O-CB 3.28Å; S331-V334 PolarHBondContact O-N 3.26Å; V334-L337 PolarHBondContact O-N 2.78Å; V334-R338 PolarHBondContact O-N 2.98Å; V334-N377 HydrophobicContact CG1-CB 4.21Å; V334-N377 HydrophobicContact CG2-CB 3.96Å; V334-A378 HydrophobicContact CG2-CB 4.27Å; V334-A381 HydrophobicContact CG1-CB 3.87Å |
| 335 | C | 94.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 178 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | T142 L288 I289 S331 L332 R333 L337 R338 Y339 | T142-C335 HydrophobicContact CG2-CB 4.3Å; L288-C335 HydrophobicContact CB-CB 4.06Å; L288-C335 WeakPolarHBondContact O-CB 3.43Å; I289-C335 HydrophobicContact CG2-CB 4.31Å; S331-C335 PolarHBondContact O-N 3.2Å; S331-C335 PolarHBondContact O-SG 3.25Å; L332-C335 PolarHBondContact O-N 2.78Å; R333-C335 VanDerWaalsContact C-N 3.32Å; R333-C335 PolarHBondContact O-N 2.7Å; C335-L337 VanDerWaalsContact C-N 3.29Å; C335-L337 PolarHBondContact O-N 2.8Å; C335-R338 PolarHBondContact O-N 2.68Å; C335-Y339 WeakPolarHBondContact O-CB 3.29Å; C335-Y339 PolarHBondContact O-N 2.94Å; C335-Y339 VanDerWaalsContact O-N 3.11Å |
| 336 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 172.5 | -173.8 | 67.2 | 0 | 0 | 0 | 111.8 | I289 M293 V297 F319 F324 L332 R333 Y339 V340 I365 | I289-L336 HydrophobicContact CD1-CD1 3.88Å; I289-L336 HydrophobicContact CG2-CB 4.32Å; I289-L336 HydrophobicContact CG2-CD1 4.26Å; M293-L336 HydrophobicContact CE-CB 4Å; M293-L336 HydrophobicContact CE-CD1 4Å; M293-L336 HydrophobicContact CE-CD2 3.94Å; M293-L336 HydrophobicContact CE-CG 4.19Å; M293-L336 HydrophobicContact SD-CD1 4.42Å; V297-L336 HydrophobicContact CB-CD1 4.14Å; V297-L336 HydrophobicContact CG1-CD1 4.02Å; V297-L336 HydrophobicContact CG2-CD1 4.03Å; F319-L336 HydrophobicContact CE1-CD2 3.78Å; F319-L336 HydrophobicContact CZ-CD1 4.23Å; F319-L336 HydrophobicContact CZ-CD2 3.86Å; F324-L336 HydrophobicContact CE2-CD2 4.14Å; F324-L336 HydrophobicContact CZ-CB 4.48Å; F324-L336 HydrophobicContact CZ-CD2 3.72Å; L332-L336 PolarHBondContact O-N 3.31Å; R333-L336 PolarHBondContact O-N 3.3Å; L336-Y339 WeakPolarHBondContact O-CB 3.16Å; L336-Y339 PolarHBondContact O-N 3.27Å; L336-V340 HydrophobicContact CG-CG2 4.45Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.47Å; L336-I365 HydrophobicContact CB-CD1 4.31Å; L336-I365 HydrophobicContact CD2-CD1 3.56Å; L336-I365 HydrophobicContact CD2-CG1 3.95Å; L336-I365 HydrophobicContact CG-CD1 3.77Å |
| 337 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 178.9 | -166.2 | 155.5 | 0 | 0 | 0 | 111.6 | R333 V334 C335 Y339 V340 V341 V362 I365 L366 A378 A381 L382 | R333-L337 PolarHBondContact O-N 3.11Å; V334-L337 PolarHBondContact O-N 2.78Å; C335-L337 VanDerWaalsContact C-N 3.29Å; C335-L337 PolarHBondContact O-N 2.8Å; L337-Y339 PolarHBondContact O-N 2.69Å; L337-V340 PolarHBondContact O-N 2.96Å; L337-V341 HydrophobicContact CD2-CG2 3.91Å; L337-V341 WeakPolarHBondContact O-CG2 3.14Å; L337-V341 PolarHBondContact O-N 3.45Å; L337-V362 HydrophobicContact CD1-CG1 4.23Å; L337-I365 HydrophobicContact CB-CG2 4.44Å; L337-I365 HydrophobicContact CD1-CG2 4.48Å; L337-L366 HydrophobicContact CD1-CD2 4.06Å; L337-L366 HydrophobicContact CD1-CG 4.15Å; L337-A378 HydrophobicContact CD1-CB 4.16Å; L337-A381 HydrophobicContact CD2-CB 4.07Å; L337-L382 HydrophobicContact CD1-CB 4.47Å; L337-L382 HydrophobicContact CD2-CB 3.69Å; L337-L382 HydrophobicContact CD2-CD1 4.14Å; L337-L382 HydrophobicContact CD2-CG 4.47Å |
| 338 | R | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.2 | -40.8 | 174 | -76.1 | -56.3 | -69.9 | 145.9 | -5.9 | 111.4 | D237 L288 V334 C335 V341 T342 A381 D385 | D237-R338 IonicContact OD1-CZ 2.61Å; D237-R338 IonicContact OD1-NE 3.69Å; D237-R338 PolarHBondContact OD1-NE 3.42Å; D237-R338 IonicContact OD1-NH2 2.81Å; D237-R338 IonicContact OD2-CZ 3.99Å; D237-R338 IonicContact OD2-NE 3.73Å; D237-R338 IonicContact OD2-NH2 3.79Å; D237-R338 PolarHBondContact OD2-NH2 3.36Å; L288-R338 HydrophobicContact CD1-CB 3.49Å; L288-R338 VanDerWaalsContact CD1-CB 3.49Å; L288-R338 HydrophobicContact CD1-CG 4.16Å; V334-R338 PolarHBondContact O-N 2.98Å; C335-R338 PolarHBondContact O-N 2.68Å; R338-V341 PolarHBondContact O-N 2.86Å; R338-T342 WeakPolarHBondContact O-CB 3.49Å; R338-T342 PolarHBondContact O-N 2.75Å; R338-T342 PolarHBondContact O-OG1 3.18Å; R338-A381 VanDerWaalsContact CD-CB 3.44Å; R338-A381 VanDerWaalsContact CD-O 3.24Å; R338-A381 WeakPolarHBondContact CD-O 3.27Å; R338-A381 HydrophobicContact CG-CB 3.74Å; R338-A381 PolarHBondContact NH1-O 2.89Å; R338-D385 IonicContact CZ-OD2 2.8Å; R338-D385 VanDerWaalsContact CZ-OD2 3.24Å; R338-D385 IonicContact NH1-OD2 3.81Å; R338-D385 PolarHBondContact NH1-OD2 2.9Å; R338-D385 IonicContact NH2-OD1 3.19Å; R338-D385 IonicContact NH2-OD2 3.79Å; R338-D385 PolarHBondContact NH2-OD2 3.17Å |
| 339 | Y | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 178.5 | 179.3 | -84.6 | 0 | 0 | 0 | 112.8 | Q286 I289 E294 V297 R298 C335 L336 L337 V341 Y343 F344 | Q286-Y339 HydrophobicContact CG-CE2 4.09Å; I289-Y339 HydrophobicContact CD1-CD1 3.57Å; I289-Y339 HydrophobicContact CD1-CD2 3.64Å; I289-Y339 HydrophobicContact CD1-CE1 3.75Å; I289-Y339 HydrophobicContact CD1-CE2 3.77Å; I289-Y339 HydrophobicContact CD1-CG 3.52Å; I289-Y339 HydrophobicContact CG1-CD1 4.47Å; I289-Y339 HydrophobicContact CG1-CD2 3.64Å; I289-Y339 HydrophobicContact CG1-CE2 3.87Å; I289-Y339 HydrophobicContact CG1-CG 3.95Å; E294-Y339 VanDerWaalsContact CD-OH 3.26Å; E294-Y339 VanDerWaalsContact CG-OH 3.28Å; E294-Y339 WeakPolarHBondContact CG-OH 3.44Å; E294-Y339 VanDerWaalsContact OE2-CE2 3.31Å; E294-Y339 WeakPolarHBondContact OE2-CE2 3.5Å; E294-Y339 PolarHBondContact OE2-OH 3.14Å; V297-Y339 HydrophobicContact CG1-CD1 4.3Å; V297-Y339 HydrophobicContact CG1-CE1 3.95Å; R298-Y339 PolarHBondContact NE-OH 3.22Å; R298-Y339 PolarHBondContact NH2-OH 3.35Å; C335-Y339 WeakPolarHBondContact O-CB 3.29Å; C335-Y339 PolarHBondContact O-N 2.94Å; C335-Y339 VanDerWaalsContact O-N 3.11Å; L336-Y339 WeakPolarHBondContact O-CB 3.16Å; L336-Y339 PolarHBondContact O-N 3.27Å; L337-Y339 PolarHBondContact O-N 2.69Å; Y339-V341 VanDerWaalsContact C-N 3.3Å; Y339-V341 PolarHBondContact O-N 3.13Å; Y339-Y343 HydrophobicContact CD2-CG 4.39Å; Y339-Y343 HydrophobicContact CE2-CD1 4.09Å; Y339-Y343 AromaticContact CE2-CG 3.96Å; Y339-Y343 HydrophobicContact CE2-CG 3.96Å; Y339-Y343 AromaticContact CZ-CD1 3.95Å; Y339-Y343 WeakPolarHBondContact O-CB 3.43Å; Y339-Y343 PolarHBondContact O-N 2.99Å; Y339-F344 PolarHBondContact O-N 3.02Å |
| 340 | V | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | V297 M301 L336 L337 R358 V361 V362 | V297-V340 HydrophobicContact CG2-CG2 4.4Å; M301-V340 HydrophobicContact CE-CG2 4.17Å; M301-V340 HydrophobicContact SD-CG1 4.16Å; M301-V340 HydrophobicContact SD-CG2 4.4Å; L336-V340 HydrophobicContact CG-CG2 4.45Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.47Å; L337-V340 PolarHBondContact O-N 2.96Å; V340-R358 HydrophobicContact CG1-CB 4.1Å; V340-R358 HydrophobicContact CG1-CG 4.37Å; V340-R358 PolarHBondContact O-NH1 2.91Å; V340-V361 HydrophobicContact CG2-CG1 4.2Å; V340-V362 HydrophobicContact CG1-CG2 4.17Å |
| 341 | V | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.2 | -53.3 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L337 R338 Y339 R358 L382 N397 P400 | L337-V341 HydrophobicContact CD2-CG2 3.91Å; L337-V341 WeakPolarHBondContact O-CG2 3.14Å; L337-V341 PolarHBondContact O-N 3.45Å; R338-V341 PolarHBondContact O-N 2.86Å; Y339-V341 VanDerWaalsContact C-N 3.3Å; Y339-V341 PolarHBondContact O-N 3.13Å; V341-R358 PolarHBondContact O-NH1 3.42Å; V341-L382 HydrophobicContact CG2-CD1 3.8Å; V341-N397 HydrophobicContact CG1-CB 4.46Å; V341-N397 VanDerWaalsContact CG1-O 3.23Å; V341-N397 WeakPolarHBondContact CG1-O 3.34Å; V341-N397 PolarHBondContact O-OD1 3.23Å; V341-P400 HydrophobicContact CG2-CB 4.47Å; V341-P400 HydrophobicContact CG2-CG 4.4Å |
| 342 | T | 93.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -98.2 | -24.6 | -164.7 | 62.4 | 0 | 0 | 0 | 0 | 116 | Q282 T285 R338 Y345 N397 | Q282-T342 PolarHBondContact NE2-O 3.23Å; T285-T342 WeakPolarHBondContact CB-OG1 3.4Å; T285-T342 WeakPolarHBondContact CG2-OG1 3.31Å; T285-T342 PolarHBondContact OG1-OG1 3.14Å; R338-T342 WeakPolarHBondContact O-CB 3.49Å; R338-T342 PolarHBondContact O-N 2.75Å; R338-T342 PolarHBondContact O-OG1 3.18Å; T342-Y345 PolarHBondContact O-OH 3.02Å; T342-N397 WeakPolarHBondContact CA-OD1 3.49Å |
| 343 | Y | 91.9 | Very high | 91.4 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -45.4 | -176.3 | -168 | -75 | 0 | 0 | 0 | 111.8 | Q282 Q286 R298 Y339 Y345 | Q282-Y343 HydrophobicContact CB-CD2 4.02Å; Q282-Y343 HydrophobicContact CB-CE2 4.31Å; Q282-Y343 WeakPolarHBondContact O-CD2 3.31Å; Q286-Y343 HydrophobicContact CB-CD2 3.61Å; Q286-Y343 HydrophobicContact CB-CE2 3.47Å; Q286-Y343 VanDerWaalsContact CB-CE2 3.47Å; Q286-Y343 VanDerWaalsContact CD-CE2 3.43Å; Q286-Y343 VanDerWaalsContact CD-CZ 3.45Å; Q286-Y343 VanDerWaalsContact CD-OH 3.23Å; Q286-Y343 HydrophobicContact CG-CD2 3.85Å; Q286-Y343 HydrophobicContact CG-CE2 3.45Å; Q286-Y343 VanDerWaalsContact CG-CE2 3.45Å; Q286-Y343 HydrophobicContact CG-CG 4.5Å; Q286-Y343 PolarHBondContact NE2-OH 3.41Å; Q286-Y343 VanDerWaalsContact OE1-CE2 3.27Å; Q286-Y343 PolarHBondContact OE1-OH 3.35Å; R298-Y343 PolarHBondContact NH2-OH 3.03Å; Y339-Y343 HydrophobicContact CD2-CG 4.39Å; Y339-Y343 HydrophobicContact CE2-CD1 4.09Å; Y339-Y343 AromaticContact CE2-CG 3.96Å; Y339-Y343 HydrophobicContact CE2-CG 3.96Å; Y339-Y343 AromaticContact CZ-CD1 3.95Å; Y339-Y343 WeakPolarHBondContact O-CB 3.43Å; Y339-Y343 PolarHBondContact O-N 2.99Å; Y343-Y345 PolarHBondContact O-N 3.18Å |
| 344 | F | 91.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -83.1 | 98.7 | -175.6 | -169.9 | -100.9 | 0 | 0 | 0 | 111 | R298 M301 K302 Y339 P346 M350 R358 | R298-F344 HydrophobicContact CB-CE2 4.4Å; R298-F344 HydrophobicContact CG-CD2 4.03Å; R298-F344 HydrophobicContact CG-CE2 4.11Å; M301-F344 HydrophobicContact CB-CD1 4.45Å; M301-F344 HydrophobicContact CB-CE1 3.55Å; M301-F344 HydrophobicContact CB-CE2 4.44Å; M301-F344 HydrophobicContact CB-CZ 3.53Å; M301-F344 HydrophobicContact CE-CB 4Å; M301-F344 HydrophobicContact CE-CD1 3.3Å; M301-F344 HydrophobicContact CE-CD2 3.75Å; M301-F344 HydrophobicContact CE-CE1 3.56Å; M301-F344 HydrophobicContact CE-CE2 3.97Å; M301-F344 HydrophobicContact CE-CG 3.39Å; M301-F344 HydrophobicContact CE-CZ 3.88Å; M301-F344 HydrophobicContact CG-CE1 4.17Å; M301-F344 HydrophobicContact SD-CD1 3.59Å; M301-F344 VanDerWaalsContact SD-CD1 3.59Å; M301-F344 HydrophobicContact SD-CE1 3.62Å; M301-F344 HydrophobicContact SD-CG 4.3Å; M301-F344 HydrophobicContact SD-CZ 4.35Å; K302-F344 HydrophobicContact CG-CE2 4.09Å; K302-F344 HydrophobicContact CG-CZ 3.96Å; Y339-F344 PolarHBondContact O-N 3.02Å; F344-P346 HydrophobicContact CD1-CG 4.31Å; F344-P346 HydrophobicContact CE1-CG 3.98Å; F344-M350 HydrophobicContact CE1-CE 4.21Å; F344-M350 HydrophobicContact CZ-CE 3.83Å; F344-M350 HydrophobicContact CZ-SD 4.48Å; F344-R358 HydrophobicContact CD1-CG 4.03Å; F344-R358 HydrophobicContact CE1-CG 4.43Å; F344-R358 WeakPolarHBondContact O-CD 3.45Å; F344-R358 PolarHBondContact O-NH1 3.21Å | ||
| 345 | Y | 91.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -102.3 | 117.6 | 167.8 | -56.2 | -22.5 | 0 | 0 | 0 | 109.3 | Q282 T342 Y343 M396 N397 | Q282-Y345 PolarHBondContact NE2-OH 3.4Å; T342-Y345 PolarHBondContact O-OH 3.02Å; Y343-Y345 PolarHBondContact O-N 3.18Å; Y345-M396 HydrophobicContact CD1-CB 3.53Å; Y345-M396 HydrophobicContact CD1-CG 4.27Å; Y345-M396 HydrophobicContact CE1-CB 3.62Å; Y345-M396 HydrophobicContact CG-CB 4.13Å; Y345-M396 HydrophobicContact CG-CG 4.4Å; Y345-N397 PolarHBondContact OH-OD1 3.11Å |
| 346 | P | 90.1 | Very high | 91 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 145 | 167.6 | -14.3 | 30.4 | 0 | 0 | 0 | 110 | F344 M350 L351 R358 | F344-P346 HydrophobicContact CD1-CG 4.31Å; F344-P346 HydrophobicContact CE1-CG 3.98Å; P346-M350 HydrophobicContact CB-CB 3.7Å; P346-M350 HydrophobicContact CB-CE 4.15Å; P346-M350 HydrophobicContact CB-SD 4.36Å; P346-L351 HydrophobicContact CB-CD2 3.83Å; P346-L351 HydrophobicContact CB-CG 4.05Å; P346-L351 HydrophobicContact CG-CD2 3.97Å; P346-R358 HydrophobicContact CG-CG 4.04Å |
| 347 | D | 88.5 | Confident | 90.9 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 168.1 | 166.5 | 48.1 | 69.5 | 0 | 0 | 0 | 111.3 | K302 E349 M350 L351 | K302-D347 IonicContact NZ-OD2 3.19Å; K302-D347 PolarHBondContact NZ-OD2 2.85Å; D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 2.92Å; D347-M350 WeakPolarHBondContact O-CB 3.48Å; D347-M350 PolarHBondContact O-N 3.44Å; D347-M350 VanDerWaalsContact O-N 3.11Å; D347-M350 WeakPolarHBondContact OD1-CB 3.41Å; D347-M350 VanDerWaalsContact OD1-CG 3.28Å; D347-M350 WeakPolarHBondContact OD1-CG 3.31Å; D347-M350 PolarHBondContact OD1-N 3.31Å; D347-L351 WeakPolarHBondContact O-CG 3.43Å; D347-L351 PolarHBondContact O-N 2.87Å |
| 348 | N | 86.4 | Confident | 90.8 | Very high | 95 Ų | 95 | 41.4 Ų | 41.4 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.2 | -28.9 | -175.6 | -69.9 | -26.1 | 0 | 0 | 0 | 113.2 | L351 A352 | N348-L351 PolarHBondContact O-N 2.85Å; N348-A352 WeakPolarHBondContact O-CB 3.37Å; N348-A352 PolarHBondContact O-N 3.32Å |
| 349 | E | 85.2 | Confident | 90.8 | Very high | 167 Ų | 167 | 42.7 Ų | 42.7 | 78% | 0.78 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.3 | -47.6 | 172.3 | -62.8 | 179.6 | -172.8 | 0 | 0 | 110.3 | D347 L351 A352 S353 | D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 2.92Å; E349-L351 PolarHBondContact O-N 3.22Å; E349-A352 PolarHBondContact O-N 3.25Å; E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 2.91Å |
| 350 | M | 88.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 173.5 | -77 | -165.7 | 58.5 | 0 | 0 | 113 | M301 K302 F344 P346 D347 S353 L355 | M301-M350 WeakPolarHBondContact O-CE 3.32Å; K302-M350 HydrophobicContact CB-CE 4.42Å; K302-M350 HydrophobicContact CB-SD 4.48Å; K302-M350 HydrophobicContact CD-SD 3.74Å; K302-M350 VanDerWaalsContact CE-SD 3.52Å; K302-M350 HydrophobicContact CG-CE 3.89Å; K302-M350 HydrophobicContact CG-SD 3.72Å; K302-M350 PolarHBondContact NZ-SD 3.43Å; F344-M350 HydrophobicContact CE1-CE 4.21Å; F344-M350 HydrophobicContact CZ-CE 3.83Å; F344-M350 HydrophobicContact CZ-SD 4.48Å; P346-M350 HydrophobicContact CB-CB 3.7Å; P346-M350 HydrophobicContact CB-CE 4.15Å; P346-M350 HydrophobicContact CB-SD 4.36Å; D347-M350 WeakPolarHBondContact O-CB 3.48Å; D347-M350 PolarHBondContact O-N 3.44Å; D347-M350 VanDerWaalsContact O-N 3.11Å; D347-M350 WeakPolarHBondContact OD1-CB 3.41Å; D347-M350 VanDerWaalsContact OD1-CG 3.28Å; D347-M350 WeakPolarHBondContact OD1-CG 3.31Å; D347-M350 PolarHBondContact OD1-N 3.31Å; M350-S353 PolarHBondContact O-N 3.41Å; M350-S353 PolarHBondContact O-OG 3.28Å; M350-L355 HydrophobicContact CE-CD1 3.96Å; M350-L355 HydrophobicContact CG-CD1 4.01Å |
| 351 | L | 85.7 | Confident | 90.7 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 177.7 | -67 | 176.7 | 0 | 0 | 0 | 113 | P346 D347 N348 E349 M396 | P346-L351 HydrophobicContact CB-CD2 3.83Å; P346-L351 HydrophobicContact CB-CG 4.05Å; P346-L351 HydrophobicContact CG-CD2 3.97Å; D347-L351 WeakPolarHBondContact O-CG 3.43Å; D347-L351 PolarHBondContact O-N 2.87Å; N348-L351 PolarHBondContact O-N 2.85Å; E349-L351 PolarHBondContact O-N 3.22Å; L351-M396 HydrophobicContact CD1-CE 4.25Å; L351-M396 HydrophobicContact CD2-CE 4.41Å |
| 352 | A | 83.3 | Confident | 90.7 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 76% | 0.76 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -83.5 | -12.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N348 E349 | N348-A352 WeakPolarHBondContact O-CB 3.37Å; N348-A352 PolarHBondContact O-N 3.32Å; E349-A352 PolarHBondContact O-N 3.25Å |
| 353 | S | 89.4 | Confident | 90.7 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -78.8 | 170.6 | -179.8 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | E349 M350 L355 | E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 2.91Å; M350-S353 PolarHBondContact O-N 3.41Å; M350-S353 PolarHBondContact O-OG 3.28Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 3.42Å; S353-L355 WeakPolarHBondContact OG-CB 3.41Å; S353-L355 WeakPolarHBondContact OG-CD1 3.45Å; S353-L355 VanDerWaalsContact OG-CG 3.22Å; S353-L355 WeakPolarHBondContact OG-CG 3.44Å; S353-L355 PolarHBondContact OG-N 2.92Å |
| 354 | T | 89.6 | Confident | 90.7 | Very high | 79 Ų | 79 | 42.1 Ų | 42.1 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -89.2 | 22.6 | 172.1 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | H305 C306 V307 | H305-T354 CarbonylContact C-O 3.58Å; H305-T354 WeakPolarHBondContact CA-O 3.46Å; H305-T354 WeakPolarHBondContact CB-O 3.34Å; H305-T354 PolarHBondContact ND1-OG1 2.7Å; C306-T354 PolarHBondContact N-O 2.88Å; V307-T354 HydrophobicContact CG1-CG2 3.99Å |
| 355 | L | 92.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 166.1 | 175.8 | -68.4 | 172.4 | 0 | 0 | 0 | 112.5 | K302 V304 M350 S353 P357 | K302-L355 VanDerWaalsContact O-CD1 3.26Å; K302-L355 WeakPolarHBondContact O-CD1 3.42Å; K302-L355 WeakPolarHBondContact O-CD2 3.18Å; V304-L355 CarbonylContact O-C 3.51Å; V304-L355 WeakPolarHBondContact O-CA 3.35Å; M350-L355 HydrophobicContact CE-CD1 3.96Å; M350-L355 HydrophobicContact CG-CD1 4.01Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 3.42Å; S353-L355 WeakPolarHBondContact OG-CB 3.41Å; S353-L355 WeakPolarHBondContact OG-CD1 3.45Å; S353-L355 VanDerWaalsContact OG-CG 3.22Å; S353-L355 WeakPolarHBondContact OG-CG 3.44Å; S353-L355 PolarHBondContact OG-N 2.92Å; L355-P357 VanDerWaalsContact O-CD 3.23Å; L355-P357 WeakPolarHBondContact O-CD 3.29Å |
| 356 | I | 91.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | trans | -63.6 | 115.7 | 173.7 | -62.7 | 170.2 | 0 | 0 | 0 | 110.4 | M300 V304 C306 V312 N360 V361 | M300-I356 HydrophobicContact CG-CD1 3.79Å; M300-I356 HydrophobicContact SD-CD1 4.44Å; V304-I356 HydrophobicContact CB-CD1 3.67Å; V304-I356 HydrophobicContact CB-CG1 4.25Å; V304-I356 HydrophobicContact CG1-CD1 3.66Å; V304-I356 HydrophobicContact CG1-CG1 4.26Å; V304-I356 WeakPolarHBondContact O-CG1 3.08Å; V304-I356 PolarHBondContact O-N 3.04Å; C306-I356 HydrophobicContact CB-CB 4.49Å; C306-I356 HydrophobicContact CB-CG1 4.01Å; V312-I356 HydrophobicContact CB-CD1 4.45Å; V312-I356 HydrophobicContact CG1-CD1 3.61Å; V312-I356 HydrophobicContact CG1-CG1 4.21Å; V312-I356 HydrophobicContact CG2-CD1 4.18Å; V312-I356 HydrophobicContact CG2-CG1 4.24Å; I356-N360 HydrophobicContact CG2-CB 4.12Å; I356-V361 HydrophobicContact CG2-CG2 3.59Å | ||
| 357 | P | 92.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | trans | -78.3 | 155.9 | 179.1 | 34 | -35.6 | 0 | 0 | 0 | 111.2 | L355 W359 N360 V361 | L355-P357 VanDerWaalsContact O-CD 3.23Å; L355-P357 WeakPolarHBondContact O-CD 3.29Å; P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 HydrophobicContact CG-CD2 4.33Å; P357-W359 HydrophobicContact CG-CG 4.41Å; P357-W359 HydrophobicContact CG-CZ2 4.03Å; P357-W359 VanDerWaalsContact CG-NE1 3.28Å; P357-W359 PolarHBondContact O-N 3.4Å; P357-N360 HydrophobicContact CG-CB 3.95Å; P357-N360 WeakPolarHBondContact O-CB 3.41Å; P357-N360 PolarHBondContact O-N 3.02Å; P357-V361 PolarHBondContact O-N 3.44Å | ||
| 358 | R | 94.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -39 | -174.1 | -61.9 | -167.6 | -62.7 | 157.5 | 5 | 113.8 | M301 V340 V341 F344 P346 N360 V361 V362 M396 E399 P400 | M301-R358 HydrophobicContact SD-CG 4.45Å; V340-R358 HydrophobicContact CG1-CB 4.1Å; V340-R358 HydrophobicContact CG1-CG 4.37Å; V340-R358 PolarHBondContact O-NH1 2.91Å; V341-R358 PolarHBondContact O-NH1 3.42Å; F344-R358 HydrophobicContact CD1-CG 4.03Å; F344-R358 HydrophobicContact CE1-CG 4.43Å; F344-R358 WeakPolarHBondContact O-CD 3.45Å; F344-R358 PolarHBondContact O-NH1 3.21Å; P346-R358 HydrophobicContact CG-CG 4.04Å; R358-N360 PolarHBondContact O-N 2.7Å; R358-V361 PolarHBondContact O-N 3.17Å; R358-V362 WeakPolarHBondContact O-CG2 3.34Å; R358-V362 PolarHBondContact O-N 3.06Å; R358-M396 VanDerWaalsContact CZ-O 3.27Å; R358-M396 PolarHBondContact NH1-O 3.36Å; R358-M396 PolarHBondContact NH2-O 2.95Å; R358-E399 IonicContact CZ-OE2 3.68Å; R358-E399 IonicContact NE-OE2 2.66Å; R358-E399 PolarHBondContact NE-OE2 2.84Å; R358-E399 IonicContact NH2-OE2 3.78Å; R358-E399 PolarHBondContact NH2-OE2 2.86Å; R358-P400 HydrophobicContact CB-CB 4.44Å; R358-P400 HydrophobicContact CB-CG 4.27Å |
| 359 | W | 94.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 11% | 0.114 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -34.4 | 177 | 70.8 | -102.8 | 0 | 0 | 0 | 112.2 | P357 V362 S363 L403 A404 N407 H408 | P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 HydrophobicContact CG-CD2 4.33Å; P357-W359 HydrophobicContact CG-CG 4.41Å; P357-W359 HydrophobicContact CG-CZ2 4.03Å; P357-W359 VanDerWaalsContact CG-NE1 3.28Å; P357-W359 PolarHBondContact O-N 3.4Å; W359-V362 PolarHBondContact O-N 3.12Å; W359-S363 WeakPolarHBondContact O-CB 3.3Å; W359-S363 PolarHBondContact O-N 3.44Å; W359-S363 PolarHBondContact O-OG 2.82Å; W359-S363 VanDerWaalsContact O-OG 3.11Å; W359-L403 HydrophobicContact CB-CB 3.72Å; W359-L403 HydrophobicContact CG-CB 3.75Å; W359-A404 HydrophobicContact CB-CB 4.32Å; W359-N407 HydrophobicContact CD2-CB 4.23Å; W359-N407 HydrophobicContact CE3-CB 3.96Å; W359-N407 HydrophobicContact CH2-CB 3.63Å; W359-N407 HydrophobicContact CZ2-CB 3.88Å; W359-N407 VanDerWaalsContact CZ2-CG 3.45Å; W359-N407 WeakPolarHBondContact CZ2-OD1 3.39Å; W359-N407 HydrophobicContact CZ3-CB 3.67Å; W359-H408 AromaticContact CZ3-CE1 3.72Å |
| 360 | N | 93.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | 179.3 | -174.6 | -93.2 | 0 | 0 | 0 | 110.9 | I356 P357 R358 S363 W364 | I356-N360 HydrophobicContact CG2-CB 4.12Å; P357-N360 HydrophobicContact CG-CB 3.95Å; P357-N360 WeakPolarHBondContact O-CB 3.41Å; P357-N360 PolarHBondContact O-N 3.02Å; R358-N360 PolarHBondContact O-N 2.7Å; N360-S363 PolarHBondContact O-N 3.01Å; N360-W364 WeakPolarHBondContact O-CB 3.34Å; N360-W364 PolarHBondContact O-N 3.22Å |
| 361 | V | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 172.9 | -176 | 0 | 0 | 0 | 0 | 111.2 | V297 M300 M301 V340 I356 P357 R358 W364 I365 | V297-V361 HydrophobicContact CG2-CG1 4.43Å; M300-V361 HydrophobicContact CE-CG1 4.28Å; M300-V361 HydrophobicContact CE-CG2 4.22Å; M301-V361 HydrophobicContact CG-CG2 3.72Å; M301-V361 HydrophobicContact SD-CB 4.4Å; M301-V361 HydrophobicContact SD-CG2 3.87Å; V340-V361 HydrophobicContact CG2-CG1 4.2Å; I356-V361 HydrophobicContact CG2-CG2 3.59Å; P357-V361 PolarHBondContact O-N 3.44Å; R358-V361 PolarHBondContact O-N 3.17Å; V361-W364 HydrophobicContact CG1-CE3 4.15Å; V361-W364 HydrophobicContact CG1-CZ3 4.43Å; V361-W364 PolarHBondContact O-N 2.83Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 HydrophobicContact CG1-CG1 4.43Å; V361-I365 VanDerWaalsContact O-CG1 3.25Å; V361-I365 WeakPolarHBondContact O-CG1 3.32Å; V361-I365 PolarHBondContact O-N 2.93Å |
| 362 | V | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 175.6 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | L337 V340 R358 W359 W364 I365 L366 L382 P400 | L337-V362 HydrophobicContact CD1-CG1 4.23Å; V340-V362 HydrophobicContact CG1-CG2 4.17Å; R358-V362 WeakPolarHBondContact O-CG2 3.34Å; R358-V362 PolarHBondContact O-N 3.06Å; W359-V362 PolarHBondContact O-N 3.12Å; V362-W364 VanDerWaalsContact C-N 3.33Å; V362-W364 PolarHBondContact O-N 2.83Å; V362-I365 PolarHBondContact O-N 3.3Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 2.68Å; V362-L382 HydrophobicContact CG1-CD1 3.75Å; V362-L382 HydrophobicContact CG1-CD2 3.67Å; V362-L382 HydrophobicContact CG1-CG 4.35Å; V362-L382 HydrophobicContact CG2-CD1 4.41Å; V362-P400 HydrophobicContact CG2-CB 4.01Å |
| 363 | S | 94 | Very high | 90.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | W359 N360 S367 H408 | W359-S363 WeakPolarHBondContact O-CB 3.3Å; W359-S363 PolarHBondContact O-N 3.44Å; W359-S363 PolarHBondContact O-OG 2.82Å; W359-S363 VanDerWaalsContact O-OG 3.11Å; N360-S363 PolarHBondContact O-N 3.01Å; S363-S367 WeakPolarHBondContact O-CB 3.44Å; S363-S367 PolarHBondContact O-N 3.1Å; S363-H408 VanDerWaalsContact CB-CE1 3.43Å; S363-H408 WeakPolarHBondContact CB-CE1 3.47Å; S363-H408 PolarHBondContact OG-CE1 3.5Å |
| 364 | W | 93.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -50.4 | 171.9 | 166.4 | 65 | 0 | 0 | 0 | 111.7 | M300 Q316 F319 Q320 F324 N360 V361 V362 L366 S367 Q368 | M300-W364 HydrophobicContact CE-CE3 4.46Å; M300-W364 HydrophobicContact CE-CZ3 4.01Å; Q316-W364 HydrophobicContact CB-CD2 4.27Å; Q316-W364 HydrophobicContact CB-CH2 4.48Å; Q316-W364 HydrophobicContact CB-CZ2 3.73Å; Q316-W364 HydrophobicContact CG-CD2 3.83Å; Q316-W364 HydrophobicContact CG-CE3 4.31Å; Q316-W364 HydrophobicContact CG-CG 4.14Å; Q316-W364 HydrophobicContact CG-CH2 4.49Å; Q316-W364 HydrophobicContact CG-CZ2 4.06Å; Q316-W364 WeakPolarHBondContact O-CZ2 3.4Å; F319-W364 HydrophobicContact CB-CH2 4.1Å; F319-W364 AromaticContact CD1-CH2 3.64Å; F319-W364 HydrophobicContact CD1-CH2 3.64Å; F319-W364 HydrophobicContact CD1-CZ3 4.42Å; F319-W364 HydrophobicContact CE1-CH2 4.29Å; F319-W364 HydrophobicContact CG-CH2 4.01Å; Q320-W364 HydrophobicContact CB-CZ2 4.42Å; F324-W364 HydrophobicContact CE2-CH2 4.15Å; N360-W364 WeakPolarHBondContact O-CB 3.34Å; N360-W364 PolarHBondContact O-N 3.22Å; V361-W364 HydrophobicContact CG1-CE3 4.15Å; V361-W364 HydrophobicContact CG1-CZ3 4.43Å; V361-W364 PolarHBondContact O-N 2.83Å; V362-W364 VanDerWaalsContact C-N 3.33Å; V362-W364 PolarHBondContact O-N 2.83Å; W364-L366 VanDerWaalsContact C-N 3.3Å; W364-L366 PolarHBondContact O-N 2.83Å; W364-S367 WeakPolarHBondContact O-CB 3.4Å; W364-S367 PolarHBondContact O-N 3.34Å; W364-S367 PolarHBondContact O-OG 3.46Å; W364-Q368 WeakPolarHBondContact O-CG 3.5Å; W364-Q368 PolarHBondContact O-N 3.24Å |
| 365 | I | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 177.8 | -67.1 | 162.9 | 0 | 0 | 0 | 110.7 | R333 L336 L337 V361 V362 S367 Q368 S369 | R333-I365 HydrophobicContact CB-CG2 3.98Å; L336-I365 HydrophobicContact CB-CD1 4.31Å; L336-I365 HydrophobicContact CD2-CD1 3.56Å; L336-I365 HydrophobicContact CD2-CG1 3.95Å; L336-I365 HydrophobicContact CG-CD1 3.77Å; L337-I365 HydrophobicContact CB-CG2 4.44Å; L337-I365 HydrophobicContact CD1-CG2 4.48Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 HydrophobicContact CG1-CG1 4.43Å; V361-I365 VanDerWaalsContact O-CG1 3.25Å; V361-I365 WeakPolarHBondContact O-CG1 3.32Å; V361-I365 PolarHBondContact O-N 2.93Å; V362-I365 PolarHBondContact O-N 3.3Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 2.61Å; I365-Q368 PolarHBondContact O-N 2.79Å; I365-Q368 VanDerWaalsContact O-N 3.11Å; I365-S369 PolarHBondContact O-N 3.19Å |
| 366 | L | 92.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -35.1 | 177.2 | -70.8 | 169.8 | 0 | 0 | 0 | 112.7 | L337 V362 W364 Q368 A378 K379 L382 L420 | L337-L366 HydrophobicContact CD1-CD2 4.06Å; L337-L366 HydrophobicContact CD1-CG 4.15Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 2.68Å; W364-L366 VanDerWaalsContact C-N 3.3Å; W364-L366 PolarHBondContact O-N 2.83Å; L366-Q368 VanDerWaalsContact C-N 3.25Å; L366-Q368 PolarHBondContact O-N 3.11Å; L366-A378 HydrophobicContact CD2-CB 3.78Å; L366-K379 HydrophobicContact CD2-CG 4.42Å; L366-L382 HydrophobicContact CD1-CD2 4.09Å; L366-L420 HydrophobicContact CD1-CD1 4.45Å; L366-L420 HydrophobicContact CD1-CD2 3.98Å |
| 367 | S | 90 | Very high | 91 | Very high | 63 Ų | 63 | 36.2 Ų | 36.2 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.5 | -18.7 | 176.2 | 77.7 | 0 | 0 | 0 | 0 | 114.3 | S363 W364 I365 | S363-S367 WeakPolarHBondContact O-CB 3.44Å; S363-S367 PolarHBondContact O-N 3.1Å; W364-S367 WeakPolarHBondContact O-CB 3.4Å; W364-S367 PolarHBondContact O-N 3.34Å; W364-S367 PolarHBondContact O-OG 3.46Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 2.61Å |
| 368 | Q | 84.2 | Confident | 91 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1 | -177.8 | -59.6 | -49.3 | -57.1 | 0 | 0 | 113.7 | R333 W364 I365 L366 T370 | R333-Q368 PolarHBondContact NE-O 2.83Å; R333-Q368 PolarHBondContact NH2-O 3.37Å; W364-Q368 WeakPolarHBondContact O-CG 3.5Å; W364-Q368 PolarHBondContact O-N 3.24Å; I365-Q368 PolarHBondContact O-N 2.79Å; I365-Q368 VanDerWaalsContact O-N 3.11Å; L366-Q368 VanDerWaalsContact C-N 3.25Å; L366-Q368 PolarHBondContact O-N 3.11Å; Q368-T370 PolarHBondContact O-N 3.12Å |
| 369 | S | 81.5 | Confident | 91.1 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | trans | -79.7 | 113.2 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | I365 T375 | I365-S369 PolarHBondContact O-N 3.19Å; S369-T375 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 370 | T | 84.8 | Confident | 91.1 | Very high | 109 Ų | 109 | 34.6 Ų | 34.6 | 67% | 0.669 | 21% | 0.207 | S | C | * | . | trans | -98.4 | -16 | -179.7 | 56.1 | 0 | 0 | 0 | 0 | 113 | Q330 Q368 | Q330-T370 PolarHBondContact NE2-OG1 3.45Å; Q368-T370 PolarHBondContact O-N 3.12Å | ||
| 371 | C | 86.8 | Confident | 91.2 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -92.1 | 124.2 | 173.5 | 174 | 0 | 0 | 0 | 0 | 110.8 | Q330 V373 A374 T375 | Q330-C371 HydrophobicContact CB-CB 4.31Å; Q330-C371 HydrophobicContact CG-CB 3.97Å; C371-V373 VanDerWaalsContact C-N 3.32Å; C371-V373 PolarHBondContact O-N 2.85Å; C371-A374 HydrophobicContact CB-CB 3.85Å; C371-A374 PolarHBondContact O-N 2.62Å; C371-A374 VanDerWaalsContact O-N 3.15Å; C371-T375 PolarHBondContact O-N 2.98Å; C371-T375 PolarHBondContact O-OG1 2.99Å |
| 372 | P | 89.5 | Confident | 91.3 | Very high | 101 Ų | 101 | 33.5 Ų | 33.5 | 66% | 0.656 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -56.8 | -40.9 | 177.9 | -27.3 | 35.7 | 0 | 0 | 0 | 113.8 | A374 T375 V376 | P372-A374 PolarHBondContact O-N 2.92Å; P372-T375 WeakPolarHBondContact O-CB 3.37Å; P372-T375 PolarHBondContact O-N 3.31Å; P372-V376 WeakPolarHBondContact O-CG2 3.38Å; P372-V376 PolarHBondContact O-N 3.16Å |
| 373 | V | 87.4 | Confident | 91.4 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | C371 T375 V376 N377 | C371-V373 VanDerWaalsContact C-N 3.32Å; C371-V373 PolarHBondContact O-N 2.85Å; V373-T375 VanDerWaalsContact C-N 3.35Å; V373-V376 PolarHBondContact O-N 3.16Å; V373-N377 WeakPolarHBondContact O-CB 3.15Å; V373-N377 VanDerWaalsContact O-CG 3.31Å; V373-N377 PolarHBondContact O-N 3.16Å; V373-N377 PolarHBondContact O-ND2 3.3Å |
| 374 | A | 88.5 | Confident | 91.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q330 C371 P372 N377 A378 | Q330-A374 HydrophobicContact CB-CB 3.69Å; C371-A374 HydrophobicContact CB-CB 3.85Å; C371-A374 PolarHBondContact O-N 2.62Å; C371-A374 VanDerWaalsContact O-N 3.15Å; P372-A374 PolarHBondContact O-N 2.92Å; A374-N377 PolarHBondContact O-N 3.2Å; A374-A378 WeakPolarHBondContact O-CB 3.4Å; A374-A378 PolarHBondContact O-N 3.2Å |
| 375 | T | 92.7 | Very high | 91.5 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.5 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | S369 C371 P372 V373 A378 K379 | S369-T375 WeakPolarHBondContact CB-OG1 3.32Å; C371-T375 PolarHBondContact O-N 2.98Å; C371-T375 PolarHBondContact O-OG1 2.99Å; P372-T375 WeakPolarHBondContact O-CB 3.37Å; P372-T375 PolarHBondContact O-N 3.31Å; V373-T375 VanDerWaalsContact C-N 3.35Å; T375-A378 PolarHBondContact O-N 3.45Å; T375-K379 WeakPolarHBondContact O-CG 3.38Å; T375-K379 PolarHBondContact O-N 3.37Å |
| 376 | V | 93.2 | Very high | 91.7 | Very high | 65 Ų | 65 | 33 Ų | 33 | 39% | 0.394 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | P372 V373 A378 K379 L380 F423 | P372-V376 WeakPolarHBondContact O-CG2 3.38Å; P372-V376 PolarHBondContact O-N 3.16Å; V373-V376 PolarHBondContact O-N 3.16Å; V376-A378 VanDerWaalsContact C-N 3.33Å; V376-A378 PolarHBondContact O-N 3.28Å; V376-K379 PolarHBondContact O-N 3.41Å; V376-L380 PolarHBondContact O-N 2.88Å; V376-F423 HydrophobicContact CG1-CE2 4.3Å |
| 377 | N | 93 | Very high | 91.8 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 32% | 0.316 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -34.5 | 177 | -73.2 | -24.2 | 0 | 0 | 0 | 112.7 | V334 V373 A374 L380 A381 | V334-N377 HydrophobicContact CG1-CB 4.21Å; V334-N377 HydrophobicContact CG2-CB 3.96Å; V373-N377 WeakPolarHBondContact O-CB 3.15Å; V373-N377 VanDerWaalsContact O-CG 3.31Å; V373-N377 PolarHBondContact O-N 3.16Å; V373-N377 PolarHBondContact O-ND2 3.3Å; A374-N377 PolarHBondContact O-N 3.2Å; N377-L380 PolarHBondContact O-N 2.85Å; N377-A381 WeakPolarHBondContact O-CB 3.2Å; N377-A381 PolarHBondContact O-N 3.28Å |
| 378 | A | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V334 L337 L366 A374 T375 V376 A381 L382 | V334-A378 HydrophobicContact CG2-CB 4.27Å; L337-A378 HydrophobicContact CD1-CB 4.16Å; L366-A378 HydrophobicContact CD2-CB 3.78Å; A374-A378 WeakPolarHBondContact O-CB 3.4Å; A374-A378 PolarHBondContact O-N 3.2Å; T375-A378 PolarHBondContact O-N 3.45Å; V376-A378 VanDerWaalsContact C-N 3.33Å; V376-A378 PolarHBondContact O-N 3.28Å; A378-A381 PolarHBondContact O-N 3.5Å; A378-L382 WeakPolarHBondContact O-CB 3.37Å; A378-L382 PolarHBondContact O-N 3.33Å |
| 379 | K | 96.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 27 Ų | 27 | 10% | 0.1 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 172.5 | -67.5 | 175.2 | -177.6 | -172.3 | 0 | 111.9 | L366 T375 V376 A381 L382 F383 S419 L420 F423 | L366-K379 HydrophobicContact CD2-CG 4.42Å; T375-K379 WeakPolarHBondContact O-CG 3.38Å; T375-K379 PolarHBondContact O-N 3.37Å; V376-K379 PolarHBondContact O-N 3.41Å; K379-A381 VanDerWaalsContact C-N 3.31Å; K379-A381 PolarHBondContact O-N 3.46Å; K379-L382 WeakPolarHBondContact O-CB 3.4Å; K379-L382 PolarHBondContact O-N 3.12Å; K379-L382 VanDerWaalsContact O-N 3.16Å; K379-F383 WeakPolarHBondContact O-CD2 3.41Å; K379-F383 PolarHBondContact O-N 2.82Å; K379-S419 VanDerWaalsContact CE-O 3.25Å; K379-S419 WeakPolarHBondContact CE-O 3.23Å; K379-S419 PolarHBondContact NZ-O 2.92Å; K379-S419 PolarHBondContact NZ-OG 2.98Å; K379-L420 HydrophobicContact CG-CD2 4.28Å; K379-F423 HydrophobicContact CB-CD1 3.71Å; K379-F423 HydrophobicContact CB-CD2 3.79Å; K379-F423 HydrophobicContact CB-CE1 3.77Å; K379-F423 HydrophobicContact CB-CE2 3.85Å; K379-F423 HydrophobicContact CB-CG 3.72Å; K379-F423 HydrophobicContact CB-CZ 3.85Å; K379-F423 HydrophobicContact CD-CB 3.81Å; K379-F423 HydrophobicContact CD-CD1 4.5Å; K379-F423 HydrophobicContact CD-CD2 3.67Å; K379-F423 HydrophobicContact CD-CE2 4.4Å; K379-F423 HydrophobicContact CD-CG 3.73Å; K379-F423 HydrophobicContact CG-CD2 4.43Å; K379-F423 HydrophobicContact CG-CG 4.32Å |
| 380 | L | 95.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 173.9 | -178.6 | 60.1 | 0 | 0 | 0 | 110.6 | V376 N377 L382 F383 Y384 L387 F423 I427 Y431 | V376-L380 PolarHBondContact O-N 2.88Å; N377-L380 PolarHBondContact O-N 2.85Å; L380-L382 VanDerWaalsContact C-N 3.28Å; L380-L382 PolarHBondContact O-N 2.87Å; L380-F383 PolarHBondContact O-N 2.88Å; L380-Y384 HydrophobicContact CD1-CD2 3.78Å; L380-Y384 HydrophobicContact CD1-CE2 4.09Å; L380-Y384 HydrophobicContact CG-CD2 3.94Å; L380-Y384 HydrophobicContact CG-CE2 4.26Å; L380-Y384 WeakPolarHBondContact O-CA 3.42Å; L380-Y384 VanDerWaalsContact O-CB 3.26Å; L380-Y384 WeakPolarHBondContact O-CB 3.41Å; L380-Y384 PolarHBondContact O-N 2.7Å; L380-L387 HydrophobicContact CD1-CD1 4.45Å; L380-F423 HydrophobicContact CB-CZ 3.94Å; L380-F423 HydrophobicContact CD1-CZ 4.49Å; L380-I427 HydrophobicContact CD1-CD1 4.11Å; L380-I427 HydrophobicContact CD1-CG1 4.11Å; L380-Y431 HydrophobicContact CD1-CD2 3.9Å; L380-Y431 HydrophobicContact CD1-CE2 4Å; L380-Y431 HydrophobicContact CD2-CE2 4.47Å |
| 381 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V334 L337 R338 N377 A378 K379 | V334-A381 HydrophobicContact CG1-CB 3.87Å; L337-A381 HydrophobicContact CD2-CB 4.07Å; R338-A381 VanDerWaalsContact CD-CB 3.44Å; R338-A381 VanDerWaalsContact CD-O 3.24Å; R338-A381 WeakPolarHBondContact CD-O 3.27Å; R338-A381 HydrophobicContact CG-CB 3.74Å; R338-A381 PolarHBondContact NH1-O 2.89Å; N377-A381 WeakPolarHBondContact O-CB 3.2Å; N377-A381 PolarHBondContact O-N 3.28Å; A378-A381 PolarHBondContact O-N 3.5Å; K379-A381 VanDerWaalsContact C-N 3.31Å; K379-A381 PolarHBondContact O-N 3.46Å |
| 382 | L | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.5 | -41.3 | 178 | -177.5 | 55.2 | 0 | 0 | 0 | 112.6 | L337 V341 V362 L366 A378 K379 L380 P400 A401 L420 | L337-L382 HydrophobicContact CD1-CB 4.47Å; L337-L382 HydrophobicContact CD2-CB 3.69Å; L337-L382 HydrophobicContact CD2-CD1 4.14Å; L337-L382 HydrophobicContact CD2-CG 4.47Å; V341-L382 HydrophobicContact CG2-CD1 3.8Å; V362-L382 HydrophobicContact CG1-CD1 3.75Å; V362-L382 HydrophobicContact CG1-CD2 3.67Å; V362-L382 HydrophobicContact CG1-CG 4.35Å; V362-L382 HydrophobicContact CG2-CD1 4.41Å; L366-L382 HydrophobicContact CD1-CD2 4.09Å; A378-L382 WeakPolarHBondContact O-CB 3.37Å; A378-L382 PolarHBondContact O-N 3.33Å; K379-L382 WeakPolarHBondContact O-CB 3.4Å; K379-L382 PolarHBondContact O-N 3.12Å; K379-L382 VanDerWaalsContact O-N 3.16Å; L380-L382 VanDerWaalsContact C-N 3.28Å; L380-L382 PolarHBondContact O-N 2.87Å; L382-P400 HydrophobicContact CD1-CB 4.43Å; L382-A401 HydrophobicContact CD1-CB 3.72Å; L382-A401 HydrophobicContact CD2-CB 4.09Å; L382-A401 HydrophobicContact CG-CB 3.65Å; L382-L420 HydrophobicContact CD2-CD1 4.44Å; L382-L420 HydrophobicContact CD2-CD2 3.69Å |
| 383 | F | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -92.6 | -1.5 | -179.5 | -71.1 | -69.2 | 0 | 0 | 0 | 114.2 | K379 L380 D385 W386 L387 A401 I405 L420 F423 L424 | K379-F383 WeakPolarHBondContact O-CD2 3.41Å; K379-F383 PolarHBondContact O-N 2.82Å; L380-F383 PolarHBondContact O-N 2.88Å; F383-D385 VanDerWaalsContact C-N 3.27Å; F383-D385 PolarHBondContact O-N 2.96Å; F383-D385 VanDerWaalsContact O-N 3.15Å; F383-W386 AromaticContact CD1-CD1 3.81Å; F383-W386 AromaticContact CD1-CD2 3.96Å; F383-W386 HydrophobicContact CD1-CD2 3.96Å; F383-W386 AromaticContact CD1-CE2 3.88Å; F383-W386 AromaticContact CD1-CG 3.92Å; F383-W386 HydrophobicContact CD1-CG 3.92Å; F383-W386 AromaticContact CD1-NE1 3.8Å; F383-W386 HydrophobicContact CE1-CD2 4.37Å; F383-W386 HydrophobicContact CE1-CZ2 4.21Å; F383-W386 VanDerWaalsContact O-CB 3.27Å; F383-W386 WeakPolarHBondContact O-CB 3.26Å; F383-W386 PolarHBondContact O-N 2.99Å; F383-L387 PolarHBondContact O-N 2.96Å; F383-A401 HydrophobicContact CD1-CB 4.18Å; F383-A401 HydrophobicContact CE1-CB 3.75Å; F383-A401 HydrophobicContact CZ-CB 4.21Å; F383-I405 HydrophobicContact CZ-CD1 4.18Å; F383-L420 HydrophobicContact CE2-CB 4.25Å; F383-L420 HydrophobicContact CE2-CD2 3.85Å; F383-L420 HydrophobicContact CZ-CB 4.2Å; F383-L420 HydrophobicContact CZ-CD2 4.37Å; F383-F423 AromaticContact CD2-CD1 3.63Å; F383-F423 HydrophobicContact CD2-CD1 3.63Å; F383-F423 HydrophobicContact CD2-CE1 4Å; F383-F423 HydrophobicContact CE2-CD1 4.12Å; F383-L424 HydrophobicContact CD1-CB 4.48Å; F383-L424 HydrophobicContact CD1-CD1 3.82Å; F383-L424 HydrophobicContact CD1-CD2 4.46Å; F383-L424 HydrophobicContact CD1-CG 4.47Å; F383-L424 HydrophobicContact CE1-CB 4.13Å; F383-L424 HydrophobicContact CE1-CD1 4.1Å; F383-L424 HydrophobicContact CE1-CD2 3.93Å; F383-L424 HydrophobicContact CE1-CG 4.27Å; F383-L424 HydrophobicContact CE2-CB 4.28Å; F383-L424 HydrophobicContact CG-CD1 4.29Å; F383-L424 HydrophobicContact CZ-CB 4.01Å; F383-L424 HydrophobicContact CZ-CD2 4.44Å |
| 384 | Y | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -38.9 | -169.4 | -148.3 | -120.4 | 0 | 0 | 0 | 114.2 | R236 R240 L380 L387 Y431 | R236-Y384 HydrophobicContact CB-CD1 4.37Å; R236-Y384 HydrophobicContact CB-CE1 3.67Å; R236-Y384 HydrophobicContact CG-CD1 3.97Å; R236-Y384 HydrophobicContact CG-CE1 3.74Å; R236-Y384 WeakPolarHBondContact O-CE1 3.46Å; R236-Y384 PolarHBondContact O-OH 3.48Å; R236-Y384 VanDerWaalsContact O-OH 3.13Å; R240-Y384 HydrophobicContact CB-CD1 4.47Å; R240-Y384 HydrophobicContact CB-CE1 3.7Å; R240-Y384 HydrophobicContact CB-CE2 4.16Å; R240-Y384 HydrophobicContact CG-CD1 4.49Å; R240-Y384 HydrophobicContact CG-CD2 4.31Å; R240-Y384 HydrophobicContact CG-CE1 4.1Å; R240-Y384 HydrophobicContact CG-CE2 3.94Å; R240-Y384 PolarHBondContact N-OH 3.44Å; L380-Y384 HydrophobicContact CD1-CD2 3.78Å; L380-Y384 HydrophobicContact CD1-CE2 4.09Å; L380-Y384 HydrophobicContact CG-CD2 3.94Å; L380-Y384 HydrophobicContact CG-CE2 4.26Å; L380-Y384 WeakPolarHBondContact O-CA 3.42Å; L380-Y384 VanDerWaalsContact O-CB 3.26Å; L380-Y384 WeakPolarHBondContact O-CB 3.41Å; L380-Y384 PolarHBondContact O-N 2.7Å; Y384-L387 HydrophobicContact CD2-CD1 4.37Å; Y384-Y431 AromaticContact CE2-CE2 3.8Å; Y384-Y431 HydrophobicContact CE2-CE2 3.8Å; Y384-Y431 AromaticContact CE2-CZ 3.84Å; Y384-Y431 PolarHBondContact OH-OH 2.88Å |
| 385 | D | 95.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.2 | 179.2 | -65.9 | -70.5 | 0 | 0 | 0 | 113.7 | R236 R338 F383 F389 N397 L398 | R236-D385 WeakPolarHBondContact CD-OD1 3.39Å; R236-D385 IonicContact CZ-OD1 2.7Å; R236-D385 IonicContact NH1-OD1 3.39Å; R236-D385 PolarHBondContact NH1-OD1 2.81Å; R338-D385 IonicContact CZ-OD2 2.8Å; R338-D385 VanDerWaalsContact CZ-OD2 3.24Å; R338-D385 IonicContact NH1-OD2 3.81Å; R338-D385 PolarHBondContact NH1-OD2 2.9Å; R338-D385 IonicContact NH2-OD1 3.19Å; R338-D385 IonicContact NH2-OD2 3.79Å; R338-D385 PolarHBondContact NH2-OD2 3.17Å; F383-D385 VanDerWaalsContact C-N 3.27Å; F383-D385 PolarHBondContact O-N 2.96Å; F383-D385 VanDerWaalsContact O-N 3.15Å; D385-F389 WeakPolarHBondContact O-CB 3.26Å; D385-F389 PolarHBondContact O-N 3.08Å; D385-N397 HydrophobicContact CB-CB 3.78Å; D385-L398 HydrophobicContact CB-CD2 4.3Å |
| 386 | W | 96.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -37.9 | 169.3 | -67.7 | 60.6 | 0 | 0 | 0 | 111.3 | F383 F388 F389 L398 A401 L402 L424 G442 V443 M450 | F383-W386 AromaticContact CD1-CD1 3.81Å; F383-W386 AromaticContact CD1-CD2 3.96Å; F383-W386 HydrophobicContact CD1-CD2 3.96Å; F383-W386 AromaticContact CD1-CE2 3.88Å; F383-W386 AromaticContact CD1-CG 3.92Å; F383-W386 HydrophobicContact CD1-CG 3.92Å; F383-W386 AromaticContact CD1-NE1 3.8Å; F383-W386 HydrophobicContact CE1-CD2 4.37Å; F383-W386 HydrophobicContact CE1-CZ2 4.21Å; F383-W386 VanDerWaalsContact O-CB 3.27Å; F383-W386 WeakPolarHBondContact O-CB 3.26Å; F383-W386 PolarHBondContact O-N 2.99Å; W386-F388 PolarHBondContact O-N 3.12Å; W386-F389 PolarHBondContact O-N 2.98Å; W386-L398 HydrophobicContact CB-CD2 4.23Å; W386-L398 VanDerWaalsContact CD1-CD2 3.48Å; W386-L398 HydrophobicContact CD2-CD2 4.32Å; W386-L398 HydrophobicContact CG-CD2 3.74Å; W386-L398 HydrophobicContact CZ2-CB 4.38Å; W386-L398 PolarHBondContact NE1-O 3.47Å; W386-A401 HydrophobicContact CZ2-CB 3.89Å; W386-L402 HydrophobicContact CH2-CB 4.03Å; W386-L402 HydrophobicContact CH2-CD1 4.46Å; W386-L402 HydrophobicContact CZ2-CB 3.97Å; W386-L424 HydrophobicContact CZ3-CD2 4.28Å; W386-G442 CarbonylContact O-C 3.46Å; W386-G442 VanDerWaalsContact O-C 3.26Å; W386-V443 HydrophobicContact CB-CG2 4.3Å; W386-V443 HydrophobicContact CE3-CG1 4.24Å; W386-V443 PolarHBondContact O-N 3.43Å; W386-M450 HydrophobicContact CH2-CE 3.52Å; W386-M450 HydrophobicContact CZ2-CE 3.67Å; W386-M450 HydrophobicContact CZ3-CE 4.01Å |
| 387 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29 | -172 | -55.4 | -178.7 | 0 | 0 | 0 | 113 | L380 F383 Y384 I427 Y431 I439 | L380-L387 HydrophobicContact CD1-CD1 4.45Å; F383-L387 PolarHBondContact O-N 2.96Å; Y384-L387 HydrophobicContact CD2-CD1 4.37Å; L387-I427 HydrophobicContact CD2-CG2 4.08Å; L387-Y431 HydrophobicContact CD1-CD1 4.08Å; L387-Y431 HydrophobicContact CD1-CD2 4.09Å; L387-Y431 HydrophobicContact CD1-CE2 4.48Å; L387-Y431 HydrophobicContact CD1-CG 3.88Å; L387-I439 HydrophobicContact CB-CG2 4.15Å; L387-I439 HydrophobicContact CD2-CG2 3.73Å; L387-I439 WeakPolarHBondContact O-CA 3.48Å |
| 388 | F | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 15.9 | -175.8 | -52.4 | -67.9 | 0 | 0 | 0 | 113.1 | L276 W386 Y431 M435 R438 I439 | L276-F388 HydrophobicContact CB-CD1 4.24Å; L276-F388 HydrophobicContact CB-CD2 4.34Å; L276-F388 HydrophobicContact CB-CE1 3.97Å; L276-F388 HydrophobicContact CB-CE2 4.08Å; L276-F388 HydrophobicContact CB-CG 4.43Å; L276-F388 HydrophobicContact CB-CZ 3.9Å; L276-F388 HydrophobicContact CD1-CE1 4.29Å; L276-F388 HydrophobicContact CD1-CZ 3.95Å; L276-F388 HydrophobicContact CD2-CE2 3.99Å; L276-F388 HydrophobicContact CD2-CZ 4.08Å; L276-F388 HydrophobicContact CG-CE2 4.47Å; L276-F388 HydrophobicContact CG-CZ 4.2Å; W386-F388 PolarHBondContact O-N 3.12Å; F388-Y431 HydrophobicContact CE2-CE1 4.08Å; F388-Y431 HydrophobicContact CZ-CD1 4.02Å; F388-Y431 AromaticContact CZ-CE1 3.75Å; F388-Y431 HydrophobicContact CZ-CE1 3.75Å; F388-M435 HydrophobicContact CD1-CE 3.68Å; F388-M435 HydrophobicContact CE1-CE 3.5Å; F388-M435 VanDerWaalsContact CE1-CE 3.5Å; F388-M435 HydrophobicContact CE1-SD 3.96Å; F388-R438 PolarHBondContact O-NH2 3.2Å; F388-I439 HydrophobicContact CE1-CD1 4.25Å; F388-I439 HydrophobicContact CE1-CG1 3.87Å; F388-I439 HydrophobicContact CZ-CD1 4.41Å; F388-I439 HydrophobicContact CZ-CG1 4.38Å |
| 389 | F | 94.6 | Very high | 93 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | trans | -55.6 | 144.9 | -178.8 | -174.4 | -99.6 | 0 | 0 | 0 | 112.7 | D385 W386 D393 I395 L398 R438 G446 E449 | D385-F389 WeakPolarHBondContact O-CB 3.26Å; D385-F389 PolarHBondContact O-N 3.08Å; W386-F389 PolarHBondContact O-N 2.98Å; F389-D393 HydrophobicContact CD2-CB 3.59Å; F389-D393 HydrophobicContact CE2-CB 3.5Å; F389-D393 VanDerWaalsContact CE2-CB 3.5Å; F389-D393 HydrophobicContact CG-CB 4.48Å; F389-D393 HydrophobicContact CZ-CB 4.3Å; F389-I395 HydrophobicContact CE2-CG2 4.37Å; F389-I395 HydrophobicContact CZ-CG2 4.02Å; F389-L398 HydrophobicContact CD1-CD1 4.28Å; F389-L398 HydrophobicContact CD2-CD1 3.54Å; F389-L398 HydrophobicContact CD2-CD2 4Å; F389-L398 HydrophobicContact CD2-CG 3.96Å; F389-L398 HydrophobicContact CE1-CD1 4.37Å; F389-L398 HydrophobicContact CE2-CD1 3.64Å; F389-L398 HydrophobicContact CE2-CG 4.09Å; F389-L398 HydrophobicContact CG-CD1 3.87Å; F389-L398 HydrophobicContact CZ-CD1 4.07Å; F389-R438 PolarHBondContact O-NH1 3.44Å; F389-R438 PolarHBondContact O-NH2 3.28Å; F389-G446 VanDerWaalsContact CD1-CA 3.41Å; F389-E449 HydrophobicContact CE1-CB 4.26Å; F389-E449 HydrophobicContact CZ-CB 4.47Å; F389-E449 HydrophobicContact CZ-CG 4.37Å | ||
| 390 | K | 90.9 | Very high | 93 | Very high | 73 Ų | 73 | 21.8 Ų | 21.8 | 32% | 0.317 | 12% | 0.118 | S | C | . | . | trans | -126.3 | 149.4 | 173.4 | -61.6 | 171.1 | 179.8 | 176.1 | 0 | 108.7 | E277 N392 D393 | E277-K390 VanDerWaalsContact CD-CE 3.43Å; E277-K390 VanDerWaalsContact CD-NZ 3.33Å; E277-K390 VanDerWaalsContact OE1-CE 3.28Å; E277-K390 WeakPolarHBondContact OE1-CE 3.39Å; E277-K390 IonicContact OE1-NZ 3.46Å; E277-K390 WeakPolarHBondContact OE2-CE 3.39Å; E277-K390 IonicContact OE2-NZ 2.66Å; E277-K390 PolarHBondContact OE2-NZ 2.69Å; K390-N392 PolarHBondContact O-N 3Å; K390-D393 PolarHBondContact N-OD2 3.25Å; K390-D393 WeakPolarHBondContact O-CB 3.26Å; K390-D393 PolarHBondContact O-N 3.45Å | ||
| 391 | P | 82.1 | Confident | 93.1 | Very high | 73 Ų | 73 | 21.1 Ų | 21.1 | 47% | 0.474 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -20.8 | -173.9 | -29.6 | 36.5 | 0 | 0 | 0 | 117 | R562 | P391-R562 VanDerWaalsContact O-CZ 3.3Å; P391-R562 PolarHBondContact O-NH2 3.16Å |
| 392 | N | 81.6 | Confident | 93.2 | Very high | 145 Ų | 145 | 21.3 Ų | 21.3 | 78% | 0.775 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.7 | 177.5 | -65.1 | -19.8 | 0 | 0 | 0 | 114 | K390 | K390-N392 PolarHBondContact O-N 3Š|
| 393 | D | 88.9 | Confident | 93.2 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 19% | 0.193 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -69 | 159.9 | 177.5 | -75.8 | -35.9 | 0 | 0 | 0 | 111.6 | F389 K390 I395 | F389-D393 HydrophobicContact CD2-CB 3.59Å; F389-D393 HydrophobicContact CE2-CB 3.5Å; F389-D393 VanDerWaalsContact CE2-CB 3.5Å; F389-D393 HydrophobicContact CG-CB 4.48Å; F389-D393 HydrophobicContact CZ-CB 4.3Å; K390-D393 PolarHBondContact N-OD2 3.25Å; K390-D393 WeakPolarHBondContact O-CB 3.26Å; K390-D393 PolarHBondContact O-N 3.45Å; D393-I395 PolarHBondContact O-N 2.87Å |
| 394 | C | 90.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 22.7 Ų | 22.7 | 29% | 0.291 | 12% | 0.123 | S | C | . | . | trans | -70.8 | 109.7 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | M396 N397 | C394-M396 PolarHBondContact O-N 2.85Å; C394-M396 VanDerWaalsContact SG-CB 3.6Å; C394-N397 WeakPolarHBondContact O-CB 3.21Å; C394-N397 PolarHBondContact O-N 3.2Å | ||
| 395 | I | 92.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -59.5 | -17.8 | 176.5 | 57 | 144.8 | 0 | 0 | 0 | 113.8 | F389 D393 N397 L398 E399 E449 M450 L453 V455 | F389-I395 HydrophobicContact CE2-CG2 4.37Å; F389-I395 HydrophobicContact CZ-CG2 4.02Å; D393-I395 PolarHBondContact O-N 2.87Å; I395-N397 PolarHBondContact O-N 3.42Å; I395-L398 PolarHBondContact O-N 2.78Å; I395-E399 PolarHBondContact O-N 3.19Å; I395-E449 HydrophobicContact CG2-CG 3.9Å; I395-M450 HydrophobicContact CB-CG 4.41Å; I395-M450 HydrophobicContact CG2-CG 4.47Å; I395-L453 HydrophobicContact CD1-CB 4.24Å; I395-L453 HydrophobicContact CD1-CD1 3.58Å; I395-L453 HydrophobicContact CG1-CD1 3.99Å; I395-L453 HydrophobicContact CG2-CD1 4.1Å; I395-V455 HydrophobicContact CD1-CG2 3.75Å |
| 396 | M | 92.2 | Very high | 93.2 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -64.8 | -15.8 | 173.7 | -55.4 | -59.3 | -82.8 | 0 | 0 | 112.5 | Y345 L351 R358 C394 L398 P400 | Y345-M396 HydrophobicContact CD1-CB 3.53Å; Y345-M396 HydrophobicContact CD1-CG 4.27Å; Y345-M396 HydrophobicContact CE1-CB 3.62Å; Y345-M396 HydrophobicContact CG-CB 4.13Å; Y345-M396 HydrophobicContact CG-CG 4.4Å; L351-M396 HydrophobicContact CD1-CE 4.25Å; L351-M396 HydrophobicContact CD2-CE 4.41Å; R358-M396 VanDerWaalsContact CZ-O 3.27Å; R358-M396 PolarHBondContact NH1-O 3.36Å; R358-M396 PolarHBondContact NH2-O 2.95Å; C394-M396 PolarHBondContact O-N 2.85Å; C394-M396 VanDerWaalsContact SG-CB 3.6Å; M396-L398 VanDerWaalsContact C-N 3.32Å; M396-P400 WeakPolarHBondContact O-CD 3.22Å |
| 397 | N | 94.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.064 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -79.5 | -14.5 | 169.8 | -66.6 | -15 | 0 | 0 | 0 | 113 | V341 T342 Y345 D385 C394 I395 | V341-N397 HydrophobicContact CG1-CB 4.46Å; V341-N397 VanDerWaalsContact CG1-O 3.23Å; V341-N397 WeakPolarHBondContact CG1-O 3.34Å; V341-N397 PolarHBondContact O-OD1 3.23Å; T342-N397 WeakPolarHBondContact CA-OD1 3.49Å; Y345-N397 PolarHBondContact OH-OD1 3.11Å; D385-N397 HydrophobicContact CB-CB 3.78Å; C394-N397 WeakPolarHBondContact O-CB 3.21Å; C394-N397 PolarHBondContact O-N 3.2Å; I395-N397 PolarHBondContact O-N 3.42Å |
| 398 | L | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -40.9 | -177.9 | -48.2 | -170.1 | 0 | 0 | 0 | 112.9 | D385 W386 F389 I395 M396 P400 A401 G446 M450 | D385-L398 HydrophobicContact CB-CD2 4.3Å; W386-L398 HydrophobicContact CB-CD2 4.23Å; W386-L398 VanDerWaalsContact CD1-CD2 3.48Å; W386-L398 HydrophobicContact CD2-CD2 4.32Å; W386-L398 HydrophobicContact CG-CD2 3.74Å; W386-L398 HydrophobicContact CZ2-CB 4.38Å; W386-L398 PolarHBondContact NE1-O 3.47Å; F389-L398 HydrophobicContact CD1-CD1 4.28Å; F389-L398 HydrophobicContact CD2-CD1 3.54Å; F389-L398 HydrophobicContact CD2-CD2 4Å; F389-L398 HydrophobicContact CD2-CG 3.96Å; F389-L398 HydrophobicContact CE1-CD1 4.37Å; F389-L398 HydrophobicContact CE2-CD1 3.64Å; F389-L398 HydrophobicContact CE2-CG 4.09Å; F389-L398 HydrophobicContact CG-CD1 3.87Å; F389-L398 HydrophobicContact CZ-CD1 4.07Å; I395-L398 PolarHBondContact O-N 2.78Å; M396-L398 VanDerWaalsContact C-N 3.32Å; L398-P400 VanDerWaalsContact O-N 3.16Å; L398-A401 PolarHBondContact O-N 3.33Å; L398-A401 VanDerWaalsContact O-N 3.09Å; L398-G446 VanDerWaalsContact CD1-CA 3.42Å; L398-M450 HydrophobicContact CB-CE 3.52Å; L398-M450 HydrophobicContact CB-SD 3.56Å; L398-M450 VanDerWaalsContact CB-SD 3.56Å; L398-M450 HydrophobicContact CD1-CE 3.78Å; L398-M450 HydrophobicContact CG-CE 4.34Å |
| 399 | E | 94.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -44.6 | -43.9 | -174.8 | 172.4 | -94.6 | -170.5 | 0 | 0 | 115.1 | R358 I395 A401 L402 L403 V455 | R358-E399 IonicContact CZ-OE2 3.68Å; R358-E399 IonicContact NE-OE2 2.66Å; R358-E399 PolarHBondContact NE-OE2 2.84Å; R358-E399 IonicContact NH2-OE2 3.78Å; R358-E399 PolarHBondContact NH2-OE2 2.86Å; I395-E399 PolarHBondContact O-N 3.19Å; E399-A401 PolarHBondContact O-N 3.41Å; E399-L402 PolarHBondContact O-N 2.88Å; E399-L403 HydrophobicContact CG-CD1 3.85Å; E399-L403 HydrophobicContact CG-CG 4.17Å; E399-L403 WeakPolarHBondContact O-CB 3.45Å; E399-L403 PolarHBondContact O-N 2.87Å; E399-L403 VanDerWaalsContact OE1-CD1 3.26Å; E399-L403 WeakPolarHBondContact OE1-CD1 3.25Å; E399-V455 HydrophobicContact CB-CG1 4.13Å; E399-V455 HydrophobicContact CG-CG1 3.67Å |
| 400 | P | 96.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -31.8 | -175.8 | -23.7 | 34.5 | 0 | 0 | 0 | 113 | V341 R358 V362 L382 M396 L398 A404 | V341-P400 HydrophobicContact CG2-CB 4.47Å; V341-P400 HydrophobicContact CG2-CG 4.4Å; R358-P400 HydrophobicContact CB-CB 4.44Å; R358-P400 HydrophobicContact CB-CG 4.27Å; V362-P400 HydrophobicContact CG2-CB 4.01Å; L382-P400 HydrophobicContact CD1-CB 4.43Å; M396-P400 WeakPolarHBondContact O-CD 3.22Å; L398-P400 VanDerWaalsContact O-N 3.16Å; P400-A404 WeakPolarHBondContact O-CB 3.35Å; P400-A404 PolarHBondContact O-N 2.78Å |
| 401 | A | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.6 | -44.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L382 F383 W386 L398 E399 A404 I405 | L382-A401 HydrophobicContact CD1-CB 3.72Å; L382-A401 HydrophobicContact CD2-CB 4.09Å; L382-A401 HydrophobicContact CG-CB 3.65Å; F383-A401 HydrophobicContact CD1-CB 4.18Å; F383-A401 HydrophobicContact CE1-CB 3.75Å; F383-A401 HydrophobicContact CZ-CB 4.21Å; W386-A401 HydrophobicContact CZ2-CB 3.89Å; L398-A401 PolarHBondContact O-N 3.33Å; L398-A401 VanDerWaalsContact O-N 3.09Å; E399-A401 PolarHBondContact O-N 3.41Å; A401-A404 PolarHBondContact O-N 3.12Å; A401-I405 WeakPolarHBondContact O-CG1 3.45Å; A401-I405 PolarHBondContact O-N 3.49Å; A401-I405 VanDerWaalsContact O-N 3.08Å |
| 402 | L | 96.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 179.4 | -176.8 | 55.9 | 0 | 0 | 0 | 111.1 | W386 E399 A404 I405 M406 L447 M450 V456 | W386-L402 HydrophobicContact CH2-CB 4.03Å; W386-L402 HydrophobicContact CH2-CD1 4.46Å; W386-L402 HydrophobicContact CZ2-CB 3.97Å; E399-L402 PolarHBondContact O-N 2.88Å; L402-A404 VanDerWaalsContact C-N 3.35Å; L402-I405 PolarHBondContact O-N 3.02Å; L402-M406 HydrophobicContact CD1-CG 4.06Å; L402-M406 HydrophobicContact CG-CG 4.44Å; L402-M406 WeakPolarHBondContact O-CB 3.31Å; L402-M406 VanDerWaalsContact O-CG 3.23Å; L402-M406 WeakPolarHBondContact O-CG 3.5Å; L402-M406 PolarHBondContact O-N 2.94Å; L402-L447 HydrophobicContact CD1-CD1 4.16Å; L402-L447 HydrophobicContact CD2-CD1 3.85Å; L402-M450 HydrophobicContact CB-CE 4.27Å; L402-M450 HydrophobicContact CB-SD 4.05Å; L402-M450 HydrophobicContact CD2-CB 3.98Å; L402-M450 HydrophobicContact CD2-CE 3.79Å; L402-M450 HydrophobicContact CD2-CG 4.5Å; L402-M450 HydrophobicContact CD2-SD 3.69Å; L402-V456 HydrophobicContact CD2-CG1 4.08Å; L402-V456 HydrophobicContact CD2-CG2 3.75Å; L402-V456 HydrophobicContact CG-CG1 4.04Å; L402-V456 HydrophobicContact CG-CG2 4.37Å |
| 403 | L | 96.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -32.5 | 175.3 | -67.8 | -170.1 | 0 | 0 | 0 | 112.5 | W359 E399 M406 N407 V455 V456 | W359-L403 HydrophobicContact CB-CB 3.72Å; W359-L403 HydrophobicContact CG-CB 3.75Å; E399-L403 HydrophobicContact CG-CD1 3.85Å; E399-L403 HydrophobicContact CG-CG 4.17Å; E399-L403 WeakPolarHBondContact O-CB 3.45Å; E399-L403 PolarHBondContact O-N 2.87Å; E399-L403 VanDerWaalsContact OE1-CD1 3.26Å; E399-L403 WeakPolarHBondContact OE1-CD1 3.25Å; L403-M406 PolarHBondContact O-N 3.21Å; L403-N407 WeakPolarHBondContact O-CB 3.17Å; L403-N407 PolarHBondContact O-N 2.81Å; L403-N407 PolarHBondContact O-ND2 3.31Å; L403-V455 HydrophobicContact CD2-CG1 4.23Å; L403-V455 HydrophobicContact CG-CG1 4.24Å; L403-V456 HydrophobicContact CD2-CG1 3.78Å |
| 404 | A | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | W359 P400 A401 L402 H408 L420 | W359-A404 HydrophobicContact CB-CB 4.32Å; P400-A404 WeakPolarHBondContact O-CB 3.35Å; P400-A404 PolarHBondContact O-N 2.78Å; A401-A404 PolarHBondContact O-N 3.12Å; L402-A404 VanDerWaalsContact C-N 3.35Å; A404-H408 WeakPolarHBondContact O-CB 3.42Å; A404-H408 PolarHBondContact O-N 2.67Å; A404-H408 PolarHBondContact O-ND1 3.33Å; A404-L420 HydrophobicContact CB-CD1 3.97Å |
| 405 | I | 96 | Very high | 91.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -53.4 | 174.1 | -67.9 | 163.2 | 0 | 0 | 0 | 110.7 | F383 A401 L402 N407 H408 L409 A417 L420 V421 L462 | F383-I405 HydrophobicContact CZ-CD1 4.18Å; A401-I405 WeakPolarHBondContact O-CG1 3.45Å; A401-I405 PolarHBondContact O-N 3.49Å; A401-I405 VanDerWaalsContact O-N 3.08Å; L402-I405 PolarHBondContact O-N 3.02Å; I405-N407 PolarHBondContact O-N 3.07Å; I405-H408 PolarHBondContact O-N 2.89Å; I405-H408 VanDerWaalsContact O-N 3.1Å; I405-L409 HydrophobicContact CG2-CD2 4.29Å; I405-L409 PolarHBondContact O-N 2.81Å; I405-A417 HydrophobicContact CG2-CB 4.37Å; I405-L420 HydrophobicContact CD1-CB 4.14Å; I405-L420 HydrophobicContact CG1-CB 3.75Å; I405-L420 HydrophobicContact CG1-CD1 3.99Å; I405-V421 HydrophobicContact CD1-CG2 3.85Å; I405-V421 HydrophobicContact CG1-CG2 4.14Å; I405-V421 HydrophobicContact CG2-CG2 3.83Å; I405-L462 HydrophobicContact CG2-CD1 3.96Å; I405-L462 HydrophobicContact CG2-CD2 4.1Å |
| 406 | M | 95.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 41 Ų | 41 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -32.7 | -168.8 | -67.3 | -70.8 | -72 | 0 | 0 | 113.7 | L402 L403 H408 L409 V456 S458 P461 L462 | L402-M406 HydrophobicContact CD1-CG 4.06Å; L402-M406 HydrophobicContact CG-CG 4.44Å; L402-M406 WeakPolarHBondContact O-CB 3.31Å; L402-M406 VanDerWaalsContact O-CG 3.23Å; L402-M406 WeakPolarHBondContact O-CG 3.5Å; L402-M406 PolarHBondContact O-N 2.94Å; L403-M406 PolarHBondContact O-N 3.21Å; M406-H408 VanDerWaalsContact C-N 3.3Å; M406-L409 HydrophobicContact CE-CD1 4.42Å; M406-L409 WeakPolarHBondContact O-CG 3.49Å; M406-L409 HydrophobicContact SD-CD1 3.86Å; M406-V456 HydrophobicContact CG-CG1 4.16Å; M406-S458 WeakPolarHBondContact CE-O 3.14Å; M406-P461 HydrophobicContact CE-CB 4.21Å; M406-P461 HydrophobicContact CE-CG 4.21Å; M406-L462 HydrophobicContact SD-CB 4.08Å |
| 407 | N | 93.3 | Very high | 91.6 | Very high | 57 Ų | 57 | 39.9 Ų | 39.9 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.2 | -19.9 | 173.3 | -74.3 | -86 | 0 | 0 | 0 | 112.8 | W359 L403 I405 N410 | W359-N407 HydrophobicContact CD2-CB 4.23Å; W359-N407 HydrophobicContact CE3-CB 3.96Å; W359-N407 HydrophobicContact CH2-CB 3.63Å; W359-N407 HydrophobicContact CZ2-CB 3.88Å; W359-N407 VanDerWaalsContact CZ2-CG 3.45Å; W359-N407 WeakPolarHBondContact CZ2-OD1 3.39Å; W359-N407 HydrophobicContact CZ3-CB 3.67Å; L403-N407 WeakPolarHBondContact O-CB 3.17Å; L403-N407 PolarHBondContact O-N 2.81Å; L403-N407 PolarHBondContact O-ND2 3.31Å; I405-N407 PolarHBondContact O-N 3.07Å; N407-N410 PolarHBondContact O-ND2 2.95Å |
| 408 | H | 92.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.7 | -178 | -72.8 | 72 | 0 | 0 | 0 | 114.5 | W359 S363 A404 I405 M406 N410 S413 Q414 I416 A417 | W359-H408 AromaticContact CZ3-CE1 3.72Å; S363-H408 VanDerWaalsContact CB-CE1 3.43Å; S363-H408 WeakPolarHBondContact CB-CE1 3.47Å; S363-H408 PolarHBondContact OG-CE1 3.5Å; A404-H408 WeakPolarHBondContact O-CB 3.42Å; A404-H408 PolarHBondContact O-N 2.67Å; A404-H408 PolarHBondContact O-ND1 3.33Å; I405-H408 PolarHBondContact O-N 2.89Å; I405-H408 VanDerWaalsContact O-N 3.1Å; M406-H408 VanDerWaalsContact C-N 3.3Å; H408-N410 PolarHBondContact O-N 2.8Å; H408-S413 PolarHBondContact CD2-OG 2.94Å; H408-S413 VanDerWaalsContact CD2-OG 3.25Å; H408-S413 CarbonylContact O-C 3.48Å; H408-Q414 WeakPolarHBondContact O-CA 3.33Å; H408-Q414 PolarHBondContact O-N 2.86Å; H408-I416 HydrophobicContact CB-CB 4.34Å; H408-I416 HydrophobicContact CB-CG2 4.48Å; H408-A417 HydrophobicContact CB-CB 4.01Å |
| 409 | L | 90.9 | Very high | 91.4 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.168 | 22% | 0.221 | C | C | . | . | trans | -65.4 | -0.4 | 178 | -55.6 | -179.9 | 0 | 0 | 0 | 114.8 | I405 M406 A417 P461 L462 F465 | I405-L409 HydrophobicContact CG2-CD2 4.29Å; I405-L409 PolarHBondContact O-N 2.81Å; M406-L409 HydrophobicContact CE-CD1 4.42Å; M406-L409 WeakPolarHBondContact O-CG 3.49Å; M406-L409 HydrophobicContact SD-CD1 3.86Å; L409-A417 HydrophobicContact CD2-CB 4.08Å; L409-P461 HydrophobicContact CD1-CB 3.96Å; L409-L462 HydrophobicContact CD1-CB 4.42Å; L409-L462 HydrophobicContact CD2-CB 4.5Å; L409-L462 HydrophobicContact CD2-CD1 3.67Å; L409-F465 HydrophobicContact CB-CB 4.41Å; L409-F465 HydrophobicContact CB-CD2 4.26Å; L409-F465 HydrophobicContact CB-CG 4.3Å; L409-F465 HydrophobicContact CD2-CB 4.07Å; L409-F465 HydrophobicContact CD2-CD1 3.67Å; L409-F465 HydrophobicContact CD2-CD2 4.35Å; L409-F465 HydrophobicContact CD2-CE1 4.16Å; L409-F465 HydrophobicContact CD2-CG 3.76Å; L409-F465 WeakPolarHBondContact O-CD2 3.24Å | ||
| 410 | N | 85.3 | Confident | 91.5 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -82.1 | 149.9 | 178 | 75.7 | 78.5 | 0 | 0 | 0 | 111.4 | N407 H408 R412 S413 Q414 | N407-N410 PolarHBondContact O-ND2 2.95Å; H408-N410 PolarHBondContact O-N 2.8Å; N410-R412 PolarHBondContact O-N 2.97Å; N410-R412 WeakPolarHBondContact OD1-CB 3.49Å; N410-R412 PolarHBondContact OD1-N 3.45Å; N410-S413 PolarHBondContact ND2-OG 2.76Å; N410-S413 PolarHBondContact O-N 2.82Å; N410-S413 PolarHBondContact OD1-N 2.84Å; N410-Q414 PolarHBondContact O-N 3.39Å; N410-Q414 VanDerWaalsContact O-N 3.11Å |
| 411 | P | 79.7 | Confident | 91.4 | Very high | 114 Ų | 114 | 42.6 Ų | 42.6 | 74% | 0.74 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.4 | -173.8 | -25.7 | 35.4 | 0 | 0 | 0 | 116.7 | ||
| 412 | R | 76 | Confident | 91.3 | Very high | 203 Ų | 203 | 44.3 Ų | 44.3 | 77% | 0.766 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -30 | 178.6 | -65.5 | 179.6 | 178.2 | 166 | -0.8 | 112.5 | N410 W676 | N410-R412 PolarHBondContact O-N 2.97Å; N410-R412 WeakPolarHBondContact OD1-CB 3.49Å; N410-R412 PolarHBondContact OD1-N 3.45Å; R412-W676 HydrophobicContact CB-CH2 4.45Å; R412-W676 HydrophobicContact CB-CZ3 3.9Å |
| 413 | S | 83 | Confident | 91.2 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 6.1 | -173 | 73.3 | 0 | 0 | 0 | 0 | 115.2 | H408 N410 L415 I416 | H408-S413 PolarHBondContact CD2-OG 2.94Å; H408-S413 VanDerWaalsContact CD2-OG 3.25Å; H408-S413 CarbonylContact O-C 3.48Å; N410-S413 PolarHBondContact ND2-OG 2.76Å; N410-S413 PolarHBondContact O-N 2.82Å; N410-S413 PolarHBondContact OD1-N 2.84Å; S413-L415 PolarHBondContact O-N 3.36Å; S413-I416 PolarHBondContact O-N 3.28Å; S413-I416 VanDerWaalsContact O-N 3.14Å |
| 414 | Q | 89.3 | Confident | 91.2 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -48.9 | -24.8 | -178.6 | 61.5 | 178 | 34.5 | 0 | 0 | 117.6 | H408 N410 I416 A417 F418 F465 | H408-Q414 WeakPolarHBondContact O-CA 3.33Å; H408-Q414 PolarHBondContact O-N 2.86Å; N410-Q414 PolarHBondContact O-N 3.39Å; N410-Q414 VanDerWaalsContact O-N 3.11Å; Q414-I416 PolarHBondContact O-N 2.88Å; Q414-A417 PolarHBondContact O-N 3.45Å; Q414-F418 HydrophobicContact CB-CD2 4.39Å; Q414-F418 HydrophobicContact CB-CE2 4.22Å; Q414-F418 HydrophobicContact CG-CE2 4.28Å; Q414-F418 VanDerWaalsContact O-CD2 3.22Å; Q414-F418 WeakPolarHBondContact O-CD2 3.49Å; Q414-F418 PolarHBondContact O-N 3Å; Q414-F465 HydrophobicContact CB-CE2 3.58Å; Q414-F465 HydrophobicContact CB-CZ 3.75Å |
| 415 | L | 89.1 | Confident | 91.2 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 71% | 0.712 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.6 | -36.2 | 177.7 | -65.7 | 175.6 | 0 | 0 | 0 | 112.2 | S413 S419 | S413-L415 PolarHBondContact O-N 3.36Å; L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.18Å; L415-S419 PolarHBondContact O-N 3.2Å |
| 416 | I | 91.3 | Very high | 91 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.205 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 177.6 | -68.1 | 175.5 | 0 | 0 | 0 | 110.4 | H408 S413 Q414 S419 L420 | H408-I416 HydrophobicContact CB-CB 4.34Å; H408-I416 HydrophobicContact CB-CG2 4.48Å; S413-I416 PolarHBondContact O-N 3.28Å; S413-I416 VanDerWaalsContact O-N 3.14Å; Q414-I416 PolarHBondContact O-N 2.88Å; I416-S419 PolarHBondContact O-N 3.13Å; I416-L420 HydrophobicContact CG2-CD1 3.91Å; I416-L420 HydrophobicContact CG2-CG 4.49Å; I416-L420 WeakPolarHBondContact O-CB 3.24Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.39Å; I416-L420 PolarHBondContact O-N 3.45Å; I416-L420 VanDerWaalsContact O-N 3.09Å |
| 417 | A | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I405 H408 L409 Q414 L420 V421 F465 | I405-A417 HydrophobicContact CG2-CB 4.37Å; H408-A417 HydrophobicContact CB-CB 4.01Å; L409-A417 HydrophobicContact CD2-CB 4.08Å; Q414-A417 PolarHBondContact O-N 3.45Å; A417-L420 PolarHBondContact O-N 2.95Å; A417-V421 WeakPolarHBondContact O-CB 3.46Å; A417-V421 VanDerWaalsContact O-CG2 3.3Å; A417-V421 WeakPolarHBondContact O-CG2 3.2Å; A417-V421 PolarHBondContact O-N 3.2Å; A417-F465 HydrophobicContact CB-CE1 4.32Å; A417-F465 HydrophobicContact CB-CZ 4.37Å |
| 418 | F | 93.5 | Very high | 91 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -52.9 | 174.5 | -77.9 | -59.1 | 0 | 0 | 0 | 112.4 | Q414 L420 V421 D422 F465 L466 S471 L474 | Q414-F418 HydrophobicContact CB-CD2 4.39Å; Q414-F418 HydrophobicContact CB-CE2 4.22Å; Q414-F418 HydrophobicContact CG-CE2 4.28Å; Q414-F418 VanDerWaalsContact O-CD2 3.22Å; Q414-F418 WeakPolarHBondContact O-CD2 3.49Å; Q414-F418 PolarHBondContact O-N 3Å; F418-L420 PolarHBondContact O-N 3.28Å; F418-V421 PolarHBondContact O-N 2.66Å; F418-D422 VanDerWaalsContact O-CB 3.28Å; F418-D422 WeakPolarHBondContact O-CB 3.4Å; F418-D422 PolarHBondContact O-N 3.24Å; F418-F465 HydrophobicContact CD1-CE1 4.08Å; F418-F465 HydrophobicContact CD1-CZ 4.27Å; F418-F465 HydrophobicContact CD2-CE1 4.46Å; F418-F465 AromaticContact CD2-CZ 3.87Å; F418-F465 HydrophobicContact CD2-CZ 3.87Å; F418-F465 AromaticContact CE1-CE1 3.7Å; F418-F465 HydrophobicContact CE1-CE1 3.7Å; F418-F465 AromaticContact CE1-CZ 3.85Å; F418-F465 HydrophobicContact CE1-CZ 3.85Å; F418-F465 HydrophobicContact CE2-CE1 4.14Å; F418-F465 HydrophobicContact CE2-CE2 4.18Å; F418-F465 AromaticContact CE2-CZ 3.41Å; F418-F465 HydrophobicContact CE2-CZ 3.41Å; F418-F465 VanDerWaalsContact CE2-CZ 3.41Å; F418-F465 HydrophobicContact CG-CE1 4.42Å; F418-F465 HydrophobicContact CG-CZ 4.27Å; F418-F465 AromaticContact CZ-CE1 3.73Å; F418-F465 HydrophobicContact CZ-CE1 3.73Å; F418-F465 HydrophobicContact CZ-CE2 4.18Å; F418-F465 AromaticContact CZ-CZ 3.38Å; F418-F465 HydrophobicContact CZ-CZ 3.38Å; F418-L466 HydrophobicContact CD1-CD2 4.06Å; F418-L466 HydrophobicContact CE1-CD2 3.72Å; F418-S471 WeakPolarHBondContact CE1-OG 3.41Å; F418-L474 HydrophobicContact CD1-CD1 3.97Å; F418-L474 HydrophobicContact CE1-CD1 4.5Å |
| 419 | S | 93.7 | Very high | 90.8 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -19.2 | -172.7 | -147.3 | 0 | 0 | 0 | 0 | 113 | K379 L415 I416 F423 | K379-S419 VanDerWaalsContact CE-O 3.25Å; K379-S419 WeakPolarHBondContact CE-O 3.23Å; K379-S419 PolarHBondContact NZ-O 2.92Å; K379-S419 PolarHBondContact NZ-OG 2.98Å; L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.18Å; L415-S419 PolarHBondContact O-N 3.2Å; I416-S419 PolarHBondContact O-N 3.13Å; S419-F423 WeakPolarHBondContact O-CB 3.25Å |
| 420 | L | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -85.3 | -44.3 | 171 | -71.1 | 176.2 | 0 | 0 | 0 | 112.9 | L366 K379 L382 F383 A404 I405 I416 A417 F418 F423 L424 | L366-L420 HydrophobicContact CD1-CD1 4.45Å; L366-L420 HydrophobicContact CD1-CD2 3.98Å; K379-L420 HydrophobicContact CG-CD2 4.28Å; L382-L420 HydrophobicContact CD2-CD1 4.44Å; L382-L420 HydrophobicContact CD2-CD2 3.69Å; F383-L420 HydrophobicContact CE2-CB 4.25Å; F383-L420 HydrophobicContact CE2-CD2 3.85Å; F383-L420 HydrophobicContact CZ-CB 4.2Å; F383-L420 HydrophobicContact CZ-CD2 4.37Å; A404-L420 HydrophobicContact CB-CD1 3.97Å; I405-L420 HydrophobicContact CD1-CB 4.14Å; I405-L420 HydrophobicContact CG1-CB 3.75Å; I405-L420 HydrophobicContact CG1-CD1 3.99Å; I416-L420 HydrophobicContact CG2-CD1 3.91Å; I416-L420 HydrophobicContact CG2-CG 4.49Å; I416-L420 WeakPolarHBondContact O-CB 3.24Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.39Å; I416-L420 PolarHBondContact O-N 3.45Å; I416-L420 VanDerWaalsContact O-N 3.09Å; A417-L420 PolarHBondContact O-N 2.95Å; F418-L420 PolarHBondContact O-N 3.28Å; L420-F423 PolarHBondContact O-N 2.95Å; L420-L424 WeakPolarHBondContact O-CB 3.28Å; L420-L424 PolarHBondContact O-N 3.43Å |
| 421 | V | 94.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 179.4 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | I405 A417 F418 F423 L424 I425 L462 L466 L478 | I405-V421 HydrophobicContact CD1-CG2 3.85Å; I405-V421 HydrophobicContact CG1-CG2 4.14Å; I405-V421 HydrophobicContact CG2-CG2 3.83Å; A417-V421 WeakPolarHBondContact O-CB 3.46Å; A417-V421 VanDerWaalsContact O-CG2 3.3Å; A417-V421 WeakPolarHBondContact O-CG2 3.2Å; A417-V421 PolarHBondContact O-N 3.2Å; F418-V421 PolarHBondContact O-N 2.66Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 3.31Å; V421-L424 PolarHBondContact O-N 2.93Å; V421-I425 HydrophobicContact CG1-CD1 3.81Å; V421-I425 WeakPolarHBondContact O-CD1 3.47Å; V421-I425 VanDerWaalsContact O-CG1 3.29Å; V421-I425 WeakPolarHBondContact O-CG1 3.42Å; V421-I425 PolarHBondContact O-N 2.71Å; V421-L462 HydrophobicContact CG2-CD1 4.03Å; V421-L462 HydrophobicContact CG2-CD2 4.1Å; V421-L466 HydrophobicContact CG1-CD1 4.42Å; V421-L478 HydrophobicContact CG1-CD2 4.24Å |
| 422 | D | 94.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 174.1 | 175 | 78.7 | 0 | 0 | 0 | 111.8 | F418 I425 K426 L474 | F418-D422 VanDerWaalsContact O-CB 3.28Å; F418-D422 WeakPolarHBondContact O-CB 3.4Å; F418-D422 PolarHBondContact O-N 3.24Å; D422-I425 PolarHBondContact O-N 2.83Å; D422-K426 WeakPolarHBondContact O-CG 3.48Å; D422-K426 PolarHBondContact O-N 3.41Å; D422-K426 VanDerWaalsContact O-N 3.08Å; D422-K426 WeakPolarHBondContact OD1-CE 3.46Å; D422-K426 IonicContact OD1-NZ 2.75Å; D422-K426 PolarHBondContact OD1-NZ 2.88Å; D422-K426 WeakPolarHBondContact OD2-CE 3.27Å; D422-K426 IonicContact OD2-NZ 3.58Å; D422-K426 PolarHBondContact OD2-NZ 3.5Å; D422-L474 HydrophobicContact CB-CD2 3.93Å |
| 423 | F | 96.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 177.1 | -178.8 | -87.4 | 0 | 0 | 0 | 112 | V376 K379 L380 F383 S419 L420 V421 I425 K426 I427 | V376-F423 HydrophobicContact CG1-CE2 4.3Å; K379-F423 HydrophobicContact CB-CD1 3.71Å; K379-F423 HydrophobicContact CB-CD2 3.79Å; K379-F423 HydrophobicContact CB-CE1 3.77Å; K379-F423 HydrophobicContact CB-CE2 3.85Å; K379-F423 HydrophobicContact CB-CG 3.72Å; K379-F423 HydrophobicContact CB-CZ 3.85Å; K379-F423 HydrophobicContact CD-CB 3.81Å; K379-F423 HydrophobicContact CD-CD1 4.5Å; K379-F423 HydrophobicContact CD-CD2 3.67Å; K379-F423 HydrophobicContact CD-CE2 4.4Å; K379-F423 HydrophobicContact CD-CG 3.73Å; K379-F423 HydrophobicContact CG-CD2 4.43Å; K379-F423 HydrophobicContact CG-CG 4.32Å; L380-F423 HydrophobicContact CB-CZ 3.94Å; L380-F423 HydrophobicContact CD1-CZ 4.49Å; F383-F423 AromaticContact CD2-CD1 3.63Å; F383-F423 HydrophobicContact CD2-CD1 3.63Å; F383-F423 HydrophobicContact CD2-CE1 4Å; F383-F423 HydrophobicContact CE2-CD1 4.12Å; S419-F423 WeakPolarHBondContact O-CB 3.25Å; L420-F423 PolarHBondContact O-N 2.95Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 3.31Å; F423-I425 VanDerWaalsContact C-N 3.3Å; F423-I425 PolarHBondContact O-N 2.91Å; F423-K426 PolarHBondContact O-N 3Å; F423-I427 HydrophobicContact CD1-CB 4.29Å; F423-I427 HydrophobicContact CD1-CG2 4.15Å; F423-I427 HydrophobicContact CE1-CB 3.88Å; F423-I427 HydrophobicContact CE1-CG1 3.95Å; F423-I427 HydrophobicContact CE1-CG2 3.92Å; F423-I427 HydrophobicContact CZ-CB 4.09Å; F423-I427 HydrophobicContact CZ-CD1 4.03Å; F423-I427 HydrophobicContact CZ-CG1 3.89Å; F423-I427 WeakPolarHBondContact O-CB 3.45Å; F423-I427 VanDerWaalsContact O-CG2 3.26Å; F423-I427 WeakPolarHBondContact O-CG2 3.41Å; F423-I427 PolarHBondContact O-N 3.03Å |
| 424 | L | 95.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.6 | 177.4 | 60 | 0 | 0 | 0 | 112 | F383 W386 L420 V421 V428 V443 L481 | F383-L424 HydrophobicContact CD1-CB 4.48Å; F383-L424 HydrophobicContact CD1-CD1 3.82Å; F383-L424 HydrophobicContact CD1-CD2 4.46Å; F383-L424 HydrophobicContact CD1-CG 4.47Å; F383-L424 HydrophobicContact CE1-CB 4.13Å; F383-L424 HydrophobicContact CE1-CD1 4.1Å; F383-L424 HydrophobicContact CE1-CD2 3.93Å; F383-L424 HydrophobicContact CE1-CG 4.27Å; F383-L424 HydrophobicContact CE2-CB 4.28Å; F383-L424 HydrophobicContact CG-CD1 4.29Å; F383-L424 HydrophobicContact CZ-CB 4.01Å; F383-L424 HydrophobicContact CZ-CD2 4.44Å; W386-L424 HydrophobicContact CZ3-CD2 4.28Å; L420-L424 WeakPolarHBondContact O-CB 3.28Å; L420-L424 PolarHBondContact O-N 3.43Å; V421-L424 PolarHBondContact O-N 2.93Å; L424-V428 HydrophobicContact CD1-CG2 4.46Å; L424-V428 WeakPolarHBondContact O-CG2 3.43Å; L424-V443 HydrophobicContact CD1-CG1 4.26Å; L424-V443 HydrophobicContact CD1-CG2 4.02Å; L424-V443 HydrophobicContact CD2-CG1 4.48Å; L424-L481 HydrophobicContact CG-CD2 4.39Å |
| 425 | I | 94.7 | Very high | 92.9 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 176.6 | -70.5 | 162.9 | 0 | 0 | 0 | 111.1 | V421 D422 F423 L474 L478 L481 | V421-I425 HydrophobicContact CG1-CD1 3.81Å; V421-I425 WeakPolarHBondContact O-CD1 3.47Å; V421-I425 VanDerWaalsContact O-CG1 3.29Å; V421-I425 WeakPolarHBondContact O-CG1 3.42Å; V421-I425 PolarHBondContact O-N 2.71Å; D422-I425 PolarHBondContact O-N 2.83Å; F423-I425 VanDerWaalsContact C-N 3.3Å; F423-I425 PolarHBondContact O-N 2.91Å; I425-L474 HydrophobicContact CD1-CB 4.46Å; I425-L474 HydrophobicContact CD1-CD2 3.91Å; I425-L478 HydrophobicContact CD1-CB 4.03Å; I425-L478 HydrophobicContact CG1-CD1 4.42Å; I425-L481 HydrophobicContact CG1-CD2 4.3Å |
| 426 | K | 93.4 | Very high | 93.1 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.3 | -47.2 | -176.2 | -70.4 | 169.9 | 178.3 | 164.4 | 0 | 112.5 | D422 F423 V428 G429 T430 I663 | D422-K426 WeakPolarHBondContact O-CG 3.48Å; D422-K426 PolarHBondContact O-N 3.41Å; D422-K426 VanDerWaalsContact O-N 3.08Å; D422-K426 WeakPolarHBondContact OD1-CE 3.46Å; D422-K426 IonicContact OD1-NZ 2.75Å; D422-K426 PolarHBondContact OD1-NZ 2.88Å; D422-K426 WeakPolarHBondContact OD2-CE 3.27Å; D422-K426 IonicContact OD2-NZ 3.58Å; D422-K426 PolarHBondContact OD2-NZ 3.5Å; F423-K426 PolarHBondContact O-N 3Å; K426-V428 PolarHBondContact O-N 3.28Å; K426-V428 VanDerWaalsContact O-N 3.17Å; K426-G429 PolarHBondContact O-N 3.26Å; K426-G429 VanDerWaalsContact O-N 3.11Å; K426-T430 PolarHBondContact O-N 3.15Å; K426-T430 PolarHBondContact O-OG1 3.42Å; K426-I663 HydrophobicContact CD-CD1 3.56Å; K426-I663 HydrophobicContact CD-CG1 3.84Å |
| 427 | I | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -28.4 | -172.7 | -162.3 | 58 | 0 | 0 | 0 | 112.9 | L380 L387 F423 G429 T430 Y431 I661 | L380-I427 HydrophobicContact CD1-CD1 4.11Å; L380-I427 HydrophobicContact CD1-CG1 4.11Å; L387-I427 HydrophobicContact CD2-CG2 4.08Å; F423-I427 HydrophobicContact CD1-CB 4.29Å; F423-I427 HydrophobicContact CD1-CG2 4.15Å; F423-I427 HydrophobicContact CE1-CB 3.88Å; F423-I427 HydrophobicContact CE1-CG1 3.95Å; F423-I427 HydrophobicContact CE1-CG2 3.92Å; F423-I427 HydrophobicContact CZ-CB 4.09Å; F423-I427 HydrophobicContact CZ-CD1 4.03Å; F423-I427 HydrophobicContact CZ-CG1 3.89Å; F423-I427 WeakPolarHBondContact O-CB 3.45Å; F423-I427 VanDerWaalsContact O-CG2 3.26Å; F423-I427 WeakPolarHBondContact O-CG2 3.41Å; F423-I427 PolarHBondContact O-N 3.03Å; I427-G429 VanDerWaalsContact C-N 3.32Å; I427-G429 PolarHBondContact O-N 3.29Å; I427-T430 PolarHBondContact O-N 2.81Å; I427-Y431 HydrophobicContact CD1-CD2 4.16Å; I427-Y431 WeakPolarHBondContact O-CB 3.38Å; I427-Y431 PolarHBondContact O-N 3.26Å; I427-I661 HydrophobicContact CD1-CD1 3.92Å |
| 428 | V | 92.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.2 | 169.3 | 0 | 0 | 0 | 0 | 112.4 | L424 K426 I439 V440 V443 L481 | L424-V428 HydrophobicContact CD1-CG2 4.46Å; L424-V428 WeakPolarHBondContact O-CG2 3.43Å; K426-V428 PolarHBondContact O-N 3.28Å; K426-V428 VanDerWaalsContact O-N 3.17Å; V428-I439 HydrophobicContact CB-CG2 4.18Å; V428-I439 HydrophobicContact CG1-CG2 4.01Å; V428-I439 HydrophobicContact CG2-CG2 4.01Å; V428-V440 HydrophobicContact CG1-CG2 3.47Å; V428-V440 VanDerWaalsContact CG1-CG2 3.47Å; V428-V443 HydrophobicContact CG2-CG2 3.91Å; V428-L481 HydrophobicContact CB-CD1 4.26Å; V428-L481 HydrophobicContact CG1-CD1 3.81Å; V428-L481 HydrophobicContact CG2-CD1 3.99Å; V428-L481 HydrophobicContact CG2-CD2 4.38Å |
| 429 | G | 88.3 | Confident | 93.3 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -88.9 | -19.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K426 I427 | K426-G429 PolarHBondContact O-N 3.26Å; K426-G429 VanDerWaalsContact O-N 3.11Å; I427-G429 VanDerWaalsContact C-N 3.32Å; I427-G429 PolarHBondContact O-N 3.29Å |
| 430 | T | 92.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -110.5 | -17.9 | -171.7 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | K426 I427 I661 | K426-T430 PolarHBondContact O-N 3.15Å; K426-T430 PolarHBondContact O-OG1 3.42Å; I427-T430 PolarHBondContact O-N 2.81Å; T430-I661 HydrophobicContact CG2-CG2 4.42Å |
| 431 | Y | 91.6 | Very high | 93.3 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -64.6 | -53.6 | -173.5 | 178.7 | -95.9 | 0 | 0 | 0 | 113.3 | H243 L276 L380 Y384 L387 F388 I427 I439 | H243-Y431 AromaticContact CE1-CE2 3.71Å; H243-Y431 AromaticContact CE1-CZ 3.84Å; L276-Y431 HydrophobicContact CD1-CE1 4.44Å; L276-Y431 HydrophobicContact CD2-CE1 4.19Å; L380-Y431 HydrophobicContact CD1-CD2 3.9Å; L380-Y431 HydrophobicContact CD1-CE2 4Å; L380-Y431 HydrophobicContact CD2-CE2 4.47Å; Y384-Y431 AromaticContact CE2-CE2 3.8Å; Y384-Y431 HydrophobicContact CE2-CE2 3.8Å; Y384-Y431 AromaticContact CE2-CZ 3.84Å; Y384-Y431 PolarHBondContact OH-OH 2.88Å; L387-Y431 HydrophobicContact CD1-CD1 4.08Å; L387-Y431 HydrophobicContact CD1-CD2 4.09Å; L387-Y431 HydrophobicContact CD1-CE2 4.48Å; L387-Y431 HydrophobicContact CD1-CG 3.88Å; F388-Y431 HydrophobicContact CE2-CE1 4.08Å; F388-Y431 HydrophobicContact CZ-CD1 4.02Å; F388-Y431 AromaticContact CZ-CE1 3.75Å; F388-Y431 HydrophobicContact CZ-CE1 3.75Å; I427-Y431 HydrophobicContact CD1-CD2 4.16Å; I427-Y431 WeakPolarHBondContact O-CB 3.38Å; I427-Y431 PolarHBondContact O-N 3.26Å; Y431-I439 HydrophobicContact CD1-CD1 4.35Å |
| 432 | Y | 90.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | trans | -152.6 | 90.4 | 175.3 | -173.7 | -122.1 | 0 | 0 | 0 | 108.5 | L259 L272 L276 P434 M435 | L259-Y432 HydrophobicContact CD2-CE2 4.27Å; L272-Y432 HydrophobicContact CD2-CE2 4.04Å; L276-Y432 HydrophobicContact CD1-CD1 4.16Å; Y432-P434 VanDerWaalsContact C-N 3.32Å; Y432-P434 HydrophobicContact CD1-CB 4.44Å; Y432-P434 HydrophobicContact CE1-CB 3.98Å; Y432-P434 HydrophobicContact CE1-CG 4.17Å; Y432-P434 HydrophobicContact CE2-CG 4.13Å; Y432-P434 VanDerWaalsContact O-N 3.13Å; Y432-M435 HydrophobicContact CD1-CB 3.94Å; Y432-M435 HydrophobicContact CD1-CG 3.62Å; Y432-M435 HydrophobicContact CD1-SD 3.76Å; Y432-M435 HydrophobicContact CE1-CG 3.89Å; Y432-M435 HydrophobicContact CE1-SD 4.06Å; Y432-M435 PolarHBondContact O-N 3.33Å | ||
| 433 | P | 91.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -50.6 | -36.5 | -170.9 | -30.1 | 36 | 0 | 0 | 0 | 116.3 | M435 T436 | P433-M435 PolarHBondContact O-N 3.4Å; P433-M435 VanDerWaalsContact O-N 3.1Å; P433-T436 WeakPolarHBondContact CA-OG1 3.41Å; P433-T436 WeakPolarHBondContact O-CB 3.07Å; P433-T436 PolarHBondContact O-N 2.85Å; P433-T436 VanDerWaalsContact O-N 3.11Å; P433-T436 PolarHBondContact O-OG1 3.22Å |
| 434 | P | 91 | Very high | 93.2 | Very high | 102 Ų | 102 | 47 Ų | 47 | 66% | 0.662 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -59.9 | -19 | 175.6 | -25.8 | 36.5 | 0 | 0 | 0 | 115.3 | Y432 | Y432-P434 VanDerWaalsContact C-N 3.32Å; Y432-P434 HydrophobicContact CD1-CB 4.44Å; Y432-P434 HydrophobicContact CE1-CB 3.98Å; Y432-P434 HydrophobicContact CE1-CG 4.17Å; Y432-P434 HydrophobicContact CE2-CG 4.13Å; Y432-P434 VanDerWaalsContact O-N 3.13Å |
| 435 | M | 92.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -107.5 | 11.4 | 177.6 | -71.6 | -177.8 | 75.1 | 0 | 0 | 113.9 | T273 L276 F388 Y432 P433 E437 R438 I439 | T273-M435 HydrophobicContact CG2-CE 3.61Å; T273-M435 HydrophobicContact CG2-CG 4.24Å; T273-M435 HydrophobicContact CG2-SD 3.73Å; L276-M435 HydrophobicContact CB-SD 4.5Å; L276-M435 HydrophobicContact CD1-SD 3.79Å; F388-M435 HydrophobicContact CD1-CE 3.68Å; F388-M435 HydrophobicContact CE1-CE 3.5Å; F388-M435 VanDerWaalsContact CE1-CE 3.5Å; F388-M435 HydrophobicContact CE1-SD 3.96Å; Y432-M435 HydrophobicContact CD1-CB 3.94Å; Y432-M435 HydrophobicContact CD1-CG 3.62Å; Y432-M435 HydrophobicContact CD1-SD 3.76Å; Y432-M435 HydrophobicContact CE1-CG 3.89Å; Y432-M435 HydrophobicContact CE1-SD 4.06Å; Y432-M435 PolarHBondContact O-N 3.33Å; P433-M435 PolarHBondContact O-N 3.4Å; P433-M435 VanDerWaalsContact O-N 3.1Å; M435-E437 VanDerWaalsContact C-N 3.28Å; M435-E437 PolarHBondContact O-N 3.44Å; M435-E437 VanDerWaalsContact O-N 3.12Å; M435-R438 HydrophobicContact CB-CB 4.48Å; M435-R438 HydrophobicContact CE-CB 4.35Å; M435-R438 HydrophobicContact CE-CG 3.79Å; M435-R438 WeakPolarHBondContact O-CA 3.38Å; M435-R438 WeakPolarHBondContact O-CB 3.43Å; M435-R438 PolarHBondContact O-N 3.01Å; M435-I439 HydrophobicContact CB-CD1 4.02Å; M435-I439 HydrophobicContact CB-CG1 4.21Å; M435-I439 WeakPolarHBondContact O-CG1 3.36Å; M435-I439 PolarHBondContact O-N 3.23Å |
| 436 | T | 93.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -49 | -45.5 | -173.7 | -57.1 | 0 | 0 | 0 | 0 | 113 | P433 I439 V440 | P433-T436 WeakPolarHBondContact CA-OG1 3.41Å; P433-T436 WeakPolarHBondContact O-CB 3.07Å; P433-T436 PolarHBondContact O-N 2.85Å; P433-T436 VanDerWaalsContact O-N 3.11Å; P433-T436 PolarHBondContact O-OG1 3.22Å; T436-I439 PolarHBondContact O-N 2.88Å; T436-V440 WeakPolarHBondContact O-CG2 3.46Å; T436-V440 PolarHBondContact O-N 3.24Å |
| 437 | E | 92.7 | Very high | 93.1 | Very high | 167 Ų | 167 | 44 Ų | 44 | 78% | 0.78 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63 | -44.9 | 178.1 | -60.9 | -170.2 | 154.9 | 0 | 0 | 112.7 | M435 I439 V440 M441 | M435-E437 VanDerWaalsContact C-N 3.28Å; M435-E437 PolarHBondContact O-N 3.44Å; M435-E437 VanDerWaalsContact O-N 3.12Å; E437-I439 VanDerWaalsContact C-N 3.26Å; E437-I439 PolarHBondContact O-N 3.34Å; E437-V440 PolarHBondContact O-N 3.46Å; E437-M441 WeakPolarHBondContact O-CG 3.34Å; E437-M441 PolarHBondContact O-N 3.15Å |
| 438 | R | 93.8 | Very high | 93.1 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -33.2 | 177.1 | 174.3 | 57.9 | -174.7 | 102.5 | 0.3 | 112 | E277 F388 F389 M435 G442 | E277-R438 IonicContact OE1-CZ 2.95Å; E277-R438 IonicContact OE1-NE 3.41Å; E277-R438 PolarHBondContact OE1-NE 3.26Å; E277-R438 IonicContact OE1-NH2 2.77Å; E277-R438 PolarHBondContact OE1-NH2 3.46Å; F388-R438 PolarHBondContact O-NH2 3.2Å; F389-R438 PolarHBondContact O-NH1 3.44Å; F389-R438 PolarHBondContact O-NH2 3.28Å; M435-R438 HydrophobicContact CB-CB 4.48Å; M435-R438 HydrophobicContact CE-CB 4.35Å; M435-R438 HydrophobicContact CE-CG 3.79Å; M435-R438 WeakPolarHBondContact O-CA 3.38Å; M435-R438 WeakPolarHBondContact O-CB 3.43Å; M435-R438 PolarHBondContact O-N 3.01Å; R438-G442 PolarHBondContact O-N 2.9Å |
| 439 | I | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.2 | -43.3 | 176.6 | -63.6 | 167.5 | 0 | 0 | 0 | 110.9 | L387 F388 V428 Y431 M435 T436 E437 M441 G442 V443 | L387-I439 HydrophobicContact CB-CG2 4.15Å; L387-I439 HydrophobicContact CD2-CG2 3.73Å; L387-I439 WeakPolarHBondContact O-CA 3.48Å; F388-I439 HydrophobicContact CE1-CD1 4.25Å; F388-I439 HydrophobicContact CE1-CG1 3.87Å; F388-I439 HydrophobicContact CZ-CD1 4.41Å; F388-I439 HydrophobicContact CZ-CG1 4.38Å; V428-I439 HydrophobicContact CB-CG2 4.18Å; V428-I439 HydrophobicContact CG1-CG2 4.01Å; V428-I439 HydrophobicContact CG2-CG2 4.01Å; Y431-I439 HydrophobicContact CD1-CD1 4.35Å; M435-I439 HydrophobicContact CB-CD1 4.02Å; M435-I439 HydrophobicContact CB-CG1 4.21Å; M435-I439 WeakPolarHBondContact O-CG1 3.36Å; M435-I439 PolarHBondContact O-N 3.23Å; T436-I439 PolarHBondContact O-N 2.88Å; E437-I439 VanDerWaalsContact C-N 3.26Å; E437-I439 PolarHBondContact O-N 3.34Å; I439-M441 VanDerWaalsContact C-N 3.31Å; I439-M441 PolarHBondContact O-N 3.28Å; I439-G442 PolarHBondContact O-N 3.45Å; I439-V443 WeakPolarHBondContact O-CG2 3.44Å; I439-V443 PolarHBondContact O-N 2.98Å |
| 440 | V | 95.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 169.9 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | V428 T436 E437 V443 R444 L481 | V428-V440 HydrophobicContact CG1-CG2 3.47Å; V428-V440 VanDerWaalsContact CG1-CG2 3.47Å; T436-V440 WeakPolarHBondContact O-CG2 3.46Å; T436-V440 PolarHBondContact O-N 3.24Å; E437-V440 PolarHBondContact O-N 3.46Å; V440-V443 PolarHBondContact O-N 3.36Å; V440-R444 HydrophobicContact CG1-CG 4.45Å; V440-R444 VanDerWaalsContact CG1-CZ 3.48Å; V440-R444 WeakPolarHBondContact O-CB 3.42Å; V440-R444 WeakPolarHBondContact O-CG 3.35Å; V440-R444 PolarHBondContact O-N 3.39Å; V440-L481 HydrophobicContact CG2-CD1 4.11Å |
| 441 | M | 93.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 48 Ų | 48 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.8 | -40.1 | 176 | -73.1 | 179.6 | 69.7 | 0 | 0 | 113 | E437 I439 S445 | E437-M441 WeakPolarHBondContact O-CG 3.34Å; E437-M441 PolarHBondContact O-N 3.15Å; I439-M441 VanDerWaalsContact C-N 3.31Å; I439-M441 PolarHBondContact O-N 3.28Å; M441-S445 VanDerWaalsContact O-CB 3.3Å; M441-S445 WeakPolarHBondContact O-CB 3.28Å; M441-S445 PolarHBondContact O-N 2.98Å; M441-S445 PolarHBondContact O-OG 3.44Å |
| 442 | G | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | W386 R438 I439 R444 G446 | W386-G442 CarbonylContact O-C 3.46Å; W386-G442 VanDerWaalsContact O-C 3.26Å; R438-G442 PolarHBondContact O-N 2.9Å; I439-G442 PolarHBondContact O-N 3.45Å; G442-R444 PolarHBondContact O-N 3.02Å; G442-G446 PolarHBondContact O-N 3.29Å |
| 443 | V | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | W386 L424 V428 I439 V440 L447 L481 | W386-V443 HydrophobicContact CB-CG2 4.3Å; W386-V443 HydrophobicContact CE3-CG1 4.24Å; W386-V443 PolarHBondContact O-N 3.43Å; L424-V443 HydrophobicContact CD1-CG1 4.26Å; L424-V443 HydrophobicContact CD1-CG2 4.02Å; L424-V443 HydrophobicContact CD2-CG1 4.48Å; V428-V443 HydrophobicContact CG2-CG2 3.91Å; I439-V443 WeakPolarHBondContact O-CG2 3.44Å; I439-V443 PolarHBondContact O-N 2.98Å; V440-V443 PolarHBondContact O-N 3.36Å; V443-L447 PolarHBondContact O-N 3.32Å; V443-L447 VanDerWaalsContact O-N 3.12Å; V443-L481 HydrophobicContact CG1-CD1 4.4Å; V443-L481 HydrophobicContact CG1-CD2 4.29Å; V443-L481 HydrophobicContact CG1-CG 4.38Å |
| 444 | R | 94.7 | Very high | 93.4 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -55 | 175.9 | -73.8 | 178.2 | -173.1 | 175.5 | 2.9 | 111.7 | V440 G442 G446 L447 E448 V480 L481 | V440-R444 HydrophobicContact CG1-CG 4.45Å; V440-R444 VanDerWaalsContact CG1-CZ 3.48Å; V440-R444 WeakPolarHBondContact O-CB 3.42Å; V440-R444 WeakPolarHBondContact O-CG 3.35Å; V440-R444 PolarHBondContact O-N 3.39Å; G442-R444 PolarHBondContact O-N 3.02Å; R444-G446 VanDerWaalsContact C-N 3.26Å; R444-G446 PolarHBondContact O-N 3.42Å; R444-L447 PolarHBondContact O-N 2.92Å; R444-L447 VanDerWaalsContact O-N 3.13Å; R444-E448 WeakPolarHBondContact O-CB 3.39Å; R444-E448 WeakPolarHBondContact O-CG 3.43Å; R444-E448 PolarHBondContact O-N 3.31Å; R444-V480 PolarHBondContact NH2-O 3.43Å; R444-V480 VanDerWaalsContact NH2-O 3.09Å; R444-L481 PolarHBondContact NE-O 3.28Å; R444-L481 PolarHBondContact NH2-O 3.3Å; R444-L481 VanDerWaalsContact NH2-O 3.16Å |
| 445 | S | 93.7 | Very high | 93.4 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | -179.1 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | M441 E449 | M441-S445 VanDerWaalsContact O-CB 3.3Å; M441-S445 WeakPolarHBondContact O-CB 3.28Å; M441-S445 PolarHBondContact O-N 2.98Å; M441-S445 PolarHBondContact O-OG 3.44Å; S445-E449 WeakPolarHBondContact O-CB 3.28Å; S445-E449 PolarHBondContact O-N 2.91Å |
| 446 | G | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F389 L398 G442 R444 M450 | F389-G446 VanDerWaalsContact CD1-CA 3.41Å; L398-G446 VanDerWaalsContact CD1-CA 3.42Å; G442-G446 PolarHBondContact O-N 3.29Å; R444-G446 VanDerWaalsContact C-N 3.26Å; R444-G446 PolarHBondContact O-N 3.42Å; G446-M450 WeakPolarHBondContact O-CB 3.45Å; G446-M450 VanDerWaalsContact O-CE 3.23Å; G446-M450 WeakPolarHBondContact O-CE 3.29Å; G446-M450 WeakPolarHBondContact O-CG 3.2Å; G446-M450 PolarHBondContact O-N 3.11Å |
| 447 | L | 94 | Very high | 93.2 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -47.1 | 176.5 | 179.9 | 66.4 | 0 | 0 | 0 | 112.1 | L402 V443 R444 E449 M450 I451 I459 L482 | L402-L447 HydrophobicContact CD1-CD1 4.16Å; L402-L447 HydrophobicContact CD2-CD1 3.85Å; V443-L447 PolarHBondContact O-N 3.32Å; V443-L447 VanDerWaalsContact O-N 3.12Å; R444-L447 PolarHBondContact O-N 2.92Å; R444-L447 VanDerWaalsContact O-N 3.13Å; L447-E449 VanDerWaalsContact C-N 3.26Å; L447-E449 PolarHBondContact O-N 2.69Å; L447-M450 PolarHBondContact O-N 3.43Å; L447-I451 HydrophobicContact CD1-CD1 4Å; L447-I451 HydrophobicContact CD1-CG1 4.32Å; L447-I451 HydrophobicContact CD2-CD1 4.45Å; L447-I451 HydrophobicContact CG-CD1 3.88Å; L447-I451 WeakPolarHBondContact O-CG1 3.5Å; L447-I451 PolarHBondContact O-N 3.4Å; L447-I459 HydrophobicContact CD1-CD1 4.02Å; L447-I459 HydrophobicContact CD2-CD1 3.55Å; L447-I459 HydrophobicContact CG-CD1 4.44Å; L447-L482 HydrophobicContact CD2-CD1 3.77Å; L447-L482 HydrophobicContact CD2-CD2 3.55Å; L447-L482 HydrophobicContact CD2-CG 4.29Å |
| 448 | E | 93.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 50.3 Ų | 50.3 | 58% | 0.579 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.3 | -45.6 | 176.9 | -74.1 | 167.4 | -163.4 | 0 | 0 | 110.8 | R444 I451 R452 | R444-E448 WeakPolarHBondContact O-CB 3.39Å; R444-E448 WeakPolarHBondContact O-CG 3.43Å; R444-E448 PolarHBondContact O-N 3.31Å; E448-I451 PolarHBondContact O-N 3.45Å; E448-R452 WeakPolarHBondContact O-CB 3.41Å; E448-R452 PolarHBondContact O-N 3.15Å |
| 449 | E | 92.8 | Very high | 93 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.5 | -35.9 | -178 | -173.6 | 52.1 | -152.9 | 0 | 0 | 113.3 | F389 I395 S445 L447 I451 R452 L453 R562 | F389-E449 HydrophobicContact CE1-CB 4.26Å; F389-E449 HydrophobicContact CZ-CB 4.47Å; F389-E449 HydrophobicContact CZ-CG 4.37Å; I395-E449 HydrophobicContact CG2-CG 3.9Å; S445-E449 WeakPolarHBondContact O-CB 3.28Å; S445-E449 PolarHBondContact O-N 2.91Å; L447-E449 VanDerWaalsContact C-N 3.26Å; L447-E449 PolarHBondContact O-N 2.69Å; E449-I451 VanDerWaalsContact C-N 3.34Å; E449-R452 VanDerWaalsContact CD-NE 3.29Å; E449-R452 PolarHBondContact O-N 2.88Å; E449-R452 IonicContact OE1-CZ 3.33Å; E449-R452 VanDerWaalsContact OE1-CZ 3.29Å; E449-R452 IonicContact OE1-NE 2.68Å; E449-R452 PolarHBondContact OE1-NE 3.33Å; E449-R452 IonicContact OE1-NH2 2.64Å; E449-R452 PolarHBondContact OE1-NH2 3.21Å; E449-R452 WeakPolarHBondContact OE2-CD 3.22Å; E449-R452 IonicContact OE2-CZ 2.65Å; E449-R452 IonicContact OE2-NE 3.67Å; E449-R452 PolarHBondContact OE2-NE 2.64Å; E449-R452 IonicContact OE2-NH2 3.87Å; E449-L453 HydrophobicContact CG-CD1 4.39Å; E449-L453 WeakPolarHBondContact O-CB 3.34Å; E449-L453 PolarHBondContact O-N 2.75Å; E449-L453 VanDerWaalsContact OE1-CD1 3.26Å; E449-L453 WeakPolarHBondContact OE1-CD1 3.18Å; E449-L453 WeakPolarHBondContact OE1-CG 3.43Å; E449-R562 VanDerWaalsContact CD-NH2 3.32Å; E449-R562 VanDerWaalsContact CG-NH2 3.34Å; E449-R562 IonicContact OE1-CZ 3.88Å; E449-R562 IonicContact OE1-NH1 3.42Å; E449-R562 PolarHBondContact OE1-NH1 2.9Å; E449-R562 IonicContact OE1-NH2 3.88Å; E449-R562 PolarHBondContact OE1-NH2 3.01Å; E449-R562 IonicContact OE2-NH1 3.41Å |
| 450 | M | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 171.1 | -81.2 | -173.8 | -74.3 | 0 | 0 | 112.9 | W386 I395 L398 L402 G446 L447 G454 V455 | W386-M450 HydrophobicContact CH2-CE 3.52Å; W386-M450 HydrophobicContact CZ2-CE 3.67Å; W386-M450 HydrophobicContact CZ3-CE 4.01Å; I395-M450 HydrophobicContact CB-CG 4.41Å; I395-M450 HydrophobicContact CG2-CG 4.47Å; L398-M450 HydrophobicContact CB-CE 3.52Å; L398-M450 HydrophobicContact CB-SD 3.56Å; L398-M450 VanDerWaalsContact CB-SD 3.56Å; L398-M450 HydrophobicContact CD1-CE 3.78Å; L398-M450 HydrophobicContact CG-CE 4.34Å; L402-M450 HydrophobicContact CB-CE 4.27Å; L402-M450 HydrophobicContact CB-SD 4.05Å; L402-M450 HydrophobicContact CD2-CB 3.98Å; L402-M450 HydrophobicContact CD2-CE 3.79Å; L402-M450 HydrophobicContact CD2-CG 4.5Å; L402-M450 HydrophobicContact CD2-SD 3.69Å; G446-M450 WeakPolarHBondContact O-CB 3.45Å; G446-M450 VanDerWaalsContact O-CE 3.23Å; G446-M450 WeakPolarHBondContact O-CE 3.29Å; G446-M450 WeakPolarHBondContact O-CG 3.2Å; G446-M450 PolarHBondContact O-N 3.11Å; L447-M450 PolarHBondContact O-N 3.43Å; M450-G454 PolarHBondContact O-N 2.91Å; M450-V455 HydrophobicContact CB-CB 4.12Å; M450-V455 HydrophobicContact CB-CG2 4.25Å; M450-V455 HydrophobicContact CG-CB 4.38Å; M450-V455 HydrophobicContact CG-CG2 4.19Å; M450-V455 WeakPolarHBondContact O-CB 3.29Å; M450-V455 PolarHBondContact O-N 3.03Å |
| 451 | I | 93.2 | Very high | 92.7 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71 | -43.6 | 172.6 | -67.5 | 168.9 | 0 | 0 | 0 | 110 | L447 E448 E449 L453 G454 V456 | L447-I451 HydrophobicContact CD1-CD1 4Å; L447-I451 HydrophobicContact CD1-CG1 4.32Å; L447-I451 HydrophobicContact CD2-CD1 4.45Å; L447-I451 HydrophobicContact CG-CD1 3.88Å; L447-I451 WeakPolarHBondContact O-CG1 3.5Å; L447-I451 PolarHBondContact O-N 3.4Å; E448-I451 PolarHBondContact O-N 3.45Å; E449-I451 VanDerWaalsContact C-N 3.34Å; I451-L453 VanDerWaalsContact C-N 3.32Å; I451-L453 PolarHBondContact O-N 3.45Å; I451-G454 PolarHBondContact O-N 3.33Å; I451-V456 HydrophobicContact CG1-CG2 3.97Å |
| 452 | R | 92.6 | Very high | 92.6 | Very high | 140 Ų | 140 | 47 Ų | 47 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59 | -40.8 | 177.3 | -166.3 | -163.1 | 70.6 | 80 | 3.6 | 112.5 | E448 E449 G454 D560 R562 | E448-R452 WeakPolarHBondContact O-CB 3.41Å; E448-R452 PolarHBondContact O-N 3.15Å; E449-R452 VanDerWaalsContact CD-NE 3.29Å; E449-R452 PolarHBondContact O-N 2.88Å; E449-R452 IonicContact OE1-CZ 3.33Å; E449-R452 VanDerWaalsContact OE1-CZ 3.29Å; E449-R452 IonicContact OE1-NE 2.68Å; E449-R452 PolarHBondContact OE1-NE 3.33Å; E449-R452 IonicContact OE1-NH2 2.64Å; E449-R452 PolarHBondContact OE1-NH2 3.21Å; E449-R452 WeakPolarHBondContact OE2-CD 3.22Å; E449-R452 IonicContact OE2-CZ 2.65Å; E449-R452 IonicContact OE2-NE 3.67Å; E449-R452 PolarHBondContact OE2-NE 2.64Å; E449-R452 IonicContact OE2-NH2 3.87Å; R452-G454 VanDerWaalsContact C-N 3.28Å; R452-D560 IonicContact NH2-OD2 2.81Å; R452-R562 VanDerWaalsContact NH2-NH1 3.12Å |
| 453 | L | 91.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.9 | 175.9 | -74.6 | 171.4 | 0 | 0 | 0 | 113.9 | I395 E449 I451 V455 | I395-L453 HydrophobicContact CD1-CB 4.24Å; I395-L453 HydrophobicContact CD1-CD1 3.58Å; I395-L453 HydrophobicContact CG1-CD1 3.99Å; I395-L453 HydrophobicContact CG2-CD1 4.1Å; E449-L453 HydrophobicContact CG-CD1 4.39Å; E449-L453 WeakPolarHBondContact O-CB 3.34Å; E449-L453 PolarHBondContact O-N 2.75Å; E449-L453 VanDerWaalsContact OE1-CD1 3.26Å; E449-L453 WeakPolarHBondContact OE1-CD1 3.18Å; E449-L453 WeakPolarHBondContact OE1-CG 3.43Å; I451-L453 VanDerWaalsContact C-N 3.32Å; I451-L453 PolarHBondContact O-N 3.45Å; L453-V455 VanDerWaalsContact C-N 3.3Å; L453-V455 PolarHBondContact O-N 3.47Å |
| 454 | G | 90.7 | Very high | 92.2 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 50% | 0.495 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 11.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M450 I451 R452 V456 | M450-G454 PolarHBondContact O-N 2.91Å; I451-G454 PolarHBondContact O-N 3.33Å; R452-G454 VanDerWaalsContact C-N 3.28Å; G454-V456 PolarHBondContact O-N 3.1Å |
| 455 | V | 91.1 | Very high | 92 | Very high | 37 Ų | 37 | 50 Ų | 50 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -53.9 | -39.1 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | I395 E399 L403 M450 L453 | I395-V455 HydrophobicContact CD1-CG2 3.75Å; E399-V455 HydrophobicContact CB-CG1 4.13Å; E399-V455 HydrophobicContact CG-CG1 3.67Å; L403-V455 HydrophobicContact CD2-CG1 4.23Å; L403-V455 HydrophobicContact CG-CG1 4.24Å; M450-V455 HydrophobicContact CB-CB 4.12Å; M450-V455 HydrophobicContact CB-CG2 4.25Å; M450-V455 HydrophobicContact CG-CB 4.38Å; M450-V455 HydrophobicContact CG-CG2 4.19Å; M450-V455 WeakPolarHBondContact O-CB 3.29Å; M450-V455 PolarHBondContact O-N 3.03Å; L453-V455 VanDerWaalsContact C-N 3.3Å; L453-V455 PolarHBondContact O-N 3.47Å |
| 456 | V | 91.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -135.3 | 139 | 161.4 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | L402 L403 M406 I451 G454 S458 | L402-V456 HydrophobicContact CD2-CG1 4.08Å; L402-V456 HydrophobicContact CD2-CG2 3.75Å; L402-V456 HydrophobicContact CG-CG1 4.04Å; L402-V456 HydrophobicContact CG-CG2 4.37Å; L403-V456 HydrophobicContact CD2-CG1 3.78Å; M406-V456 HydrophobicContact CG-CG1 4.16Å; I451-V456 HydrophobicContact CG1-CG2 3.97Å; G454-V456 PolarHBondContact O-N 3.1Å; V456-S458 VanDerWaalsContact C-N 3.31Å; V456-S458 PolarHBondContact O-N 3.17Å |
| 457 | K | 90.5 | Very high | 91.6 | Very high | 204 Ų | 204 | 54 Ų | 54 | 89% | 0.887 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -69.8 | -26.7 | -178.3 | -62.8 | -176.6 | -179.5 | -179.2 | 0 | 113.5 | ||
| 458 | S | 91.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | trans | -168.8 | 152.2 | 176.9 | 180 | 0 | 0 | 0 | 0 | 110.3 | M406 V456 A460 | M406-S458 WeakPolarHBondContact CE-O 3.14Å; V456-S458 VanDerWaalsContact C-N 3.31Å; V456-S458 PolarHBondContact O-N 3.17Å; S458-A460 WeakPolarHBondContact OG-CB 3.32Å; S458-A460 PolarHBondContact OG-N 3.21Å; S458-A460 VanDerWaalsContact OG-N 3.09Å | ||
| 459 | I | 91.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -85.6 | -5.5 | 170.4 | -166.3 | 162.5 | 0 | 0 | 0 | 113.1 | L447 P461 L462 F463 L482 | L447-I459 HydrophobicContact CD1-CD1 4.02Å; L447-I459 HydrophobicContact CD2-CD1 3.55Å; L447-I459 HydrophobicContact CG-CD1 4.44Å; I459-P461 VanDerWaalsContact C-N 3.32Å; I459-P461 VanDerWaalsContact O-N 3.17Å; I459-L462 HydrophobicContact CD1-CD2 4.05Å; I459-L462 HydrophobicContact CG1-CB 4.05Å; I459-L462 HydrophobicContact CG1-CD2 4Å; I459-L462 WeakPolarHBondContact O-CB 3.13Å; I459-L462 PolarHBondContact O-N 2.73Å; I459-F463 HydrophobicContact CG2-CE2 3.75Å; I459-F463 HydrophobicContact CG2-CZ 3.85Å; I459-F463 PolarHBondContact O-N 3.25Å; I459-L482 HydrophobicContact CD1-CD1 3.84Å |
| 460 | A | 91.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -50.8 | -38.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S458 L462 F463 E464 | S458-A460 WeakPolarHBondContact OG-CB 3.32Å; S458-A460 PolarHBondContact OG-N 3.21Å; S458-A460 VanDerWaalsContact OG-N 3.09Å; A460-L462 PolarHBondContact O-N 3.34Å; A460-F463 PolarHBondContact O-N 2.98Å; A460-F463 VanDerWaalsContact O-N 3.08Å; A460-E464 PolarHBondContact O-N 2.89Å |
| 461 | P | 92.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.2 | -31.8 | 175.1 | -26.7 | 36.4 | 0 | 0 | 0 | 114.3 | M406 L409 I459 F465 | M406-P461 HydrophobicContact CE-CB 4.21Å; M406-P461 HydrophobicContact CE-CG 4.21Å; L409-P461 HydrophobicContact CD1-CB 3.96Å; I459-P461 VanDerWaalsContact C-N 3.32Å; I459-P461 VanDerWaalsContact O-N 3.17Å; P461-F465 VanDerWaalsContact O-CB 3.28Å; P461-F465 WeakPolarHBondContact O-CB 3.22Å; P461-F465 PolarHBondContact O-N 3.01Å |
| 462 | L | 91.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | 175.4 | 174.3 | 61.6 | 0 | 0 | 0 | 111.3 | I405 M406 L409 V421 I459 A460 F465 L466 L478 | I405-L462 HydrophobicContact CG2-CD1 3.96Å; I405-L462 HydrophobicContact CG2-CD2 4.1Å; M406-L462 HydrophobicContact SD-CB 4.08Å; L409-L462 HydrophobicContact CD1-CB 4.42Å; L409-L462 HydrophobicContact CD2-CB 4.5Å; L409-L462 HydrophobicContact CD2-CD1 3.67Å; V421-L462 HydrophobicContact CG2-CD1 4.03Å; V421-L462 HydrophobicContact CG2-CD2 4.1Å; I459-L462 HydrophobicContact CD1-CD2 4.05Å; I459-L462 HydrophobicContact CG1-CB 4.05Å; I459-L462 HydrophobicContact CG1-CD2 4Å; I459-L462 WeakPolarHBondContact O-CB 3.13Å; I459-L462 PolarHBondContact O-N 2.73Å; A460-L462 PolarHBondContact O-N 3.34Å; L462-F465 HydrophobicContact CD1-CD1 3.95Å; L462-F465 PolarHBondContact O-N 3.38Å; L462-L466 HydrophobicContact CD1-CD1 4.26Å; L462-L466 HydrophobicContact CD1-CG 4.13Å; L462-L466 HydrophobicContact CG-CD1 4.33Å; L462-L466 WeakPolarHBondContact O-CG 3.47Å; L462-L466 PolarHBondContact O-N 3.19Å; L462-L478 HydrophobicContact CD2-CD2 3.71Å; L462-L478 HydrophobicContact CG-CD2 4.13Å |
| 463 | F | 92.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 174.9 | -61 | -33.5 | 0 | 0 | 0 | 111.8 | I459 A460 H467 L475 L478 R479 L482 L484 | I459-F463 HydrophobicContact CG2-CE2 3.75Å; I459-F463 HydrophobicContact CG2-CZ 3.85Å; I459-F463 PolarHBondContact O-N 3.25Å; A460-F463 PolarHBondContact O-N 2.98Å; A460-F463 VanDerWaalsContact O-N 3.08Å; F463-H467 VanDerWaalsContact O-CB 3.31Å; F463-H467 WeakPolarHBondContact O-CB 3.49Å; F463-H467 PolarHBondContact O-N 3.42Å; F463-L475 HydrophobicContact CB-CD1 3.95Å; F463-L475 HydrophobicContact CD1-CD1 3.76Å; F463-L475 HydrophobicContact CG-CD1 4.18Å; F463-L478 HydrophobicContact CD1-CD2 4.15Å; F463-L478 HydrophobicContact CE1-CD2 3.81Å; F463-L478 HydrophobicContact CE1-CG 4.09Å; F463-R479 HydrophobicContact CE1-CG 4.49Å; F463-L482 HydrophobicContact CE1-CD1 4.17Å; F463-L482 HydrophobicContact CZ-CD1 3.93Å; F463-L484 HydrophobicContact CE2-CD1 3.7Å; F463-L484 HydrophobicContact CZ-CD1 3.5Å; F463-L484 VanDerWaalsContact CZ-CD1 3.5Å |
| 464 | E | 89.6 | Confident | 88.8 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 172.8 | -76 | -165.8 | -123.8 | 0 | 0 | 112.1 | A460 H467 R468 | A460-E464 PolarHBondContact O-N 2.89Å; E464-H467 PolarHBondContact O-N 3.03Å; E464-R468 VanDerWaalsContact O-CB 3.29Å; E464-R468 WeakPolarHBondContact O-CB 3.49Å; E464-R468 WeakPolarHBondContact O-CD 3.44Å; E464-R468 WeakPolarHBondContact O-CG 3.4Å; E464-R468 PolarHBondContact O-N 3.44Å; E464-R468 IonicContact OE2-CZ 3Å; E464-R468 IonicContact OE2-NE 3.82Å; E464-R468 PolarHBondContact OE2-NE 3.09Å; E464-R468 IonicContact OE2-NH2 3.32Å; E464-R468 PolarHBondContact OE2-NH2 2.97Å |
| 465 | F | 90.2 | Very high | 88.7 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 177.7 | 161.2 | -97.1 | 0 | 0 | 0 | 112.6 | L409 Q414 A417 F418 P461 L462 H467 R468 S469 | L409-F465 HydrophobicContact CB-CB 4.41Å; L409-F465 HydrophobicContact CB-CD2 4.26Å; L409-F465 HydrophobicContact CB-CG 4.3Å; L409-F465 HydrophobicContact CD2-CB 4.07Å; L409-F465 HydrophobicContact CD2-CD1 3.67Å; L409-F465 HydrophobicContact CD2-CD2 4.35Å; L409-F465 HydrophobicContact CD2-CE1 4.16Å; L409-F465 HydrophobicContact CD2-CG 3.76Å; L409-F465 WeakPolarHBondContact O-CD2 3.24Å; Q414-F465 HydrophobicContact CB-CE2 3.58Å; Q414-F465 HydrophobicContact CB-CZ 3.75Å; A417-F465 HydrophobicContact CB-CE1 4.32Å; A417-F465 HydrophobicContact CB-CZ 4.37Å; F418-F465 HydrophobicContact CD1-CE1 4.08Å; F418-F465 HydrophobicContact CD1-CZ 4.27Å; F418-F465 HydrophobicContact CD2-CE1 4.46Å; F418-F465 AromaticContact CD2-CZ 3.87Å; F418-F465 HydrophobicContact CD2-CZ 3.87Å; F418-F465 AromaticContact CE1-CE1 3.7Å; F418-F465 HydrophobicContact CE1-CE1 3.7Å; F418-F465 AromaticContact CE1-CZ 3.85Å; F418-F465 HydrophobicContact CE1-CZ 3.85Å; F418-F465 HydrophobicContact CE2-CE1 4.14Å; F418-F465 HydrophobicContact CE2-CE2 4.18Å; F418-F465 AromaticContact CE2-CZ 3.41Å; F418-F465 HydrophobicContact CE2-CZ 3.41Å; F418-F465 VanDerWaalsContact CE2-CZ 3.41Å; F418-F465 HydrophobicContact CG-CE1 4.42Å; F418-F465 HydrophobicContact CG-CZ 4.27Å; F418-F465 AromaticContact CZ-CE1 3.73Å; F418-F465 HydrophobicContact CZ-CE1 3.73Å; F418-F465 HydrophobicContact CZ-CE2 4.18Å; F418-F465 AromaticContact CZ-CZ 3.38Å; F418-F465 HydrophobicContact CZ-CZ 3.38Å; P461-F465 VanDerWaalsContact O-CB 3.28Å; P461-F465 WeakPolarHBondContact O-CB 3.22Å; P461-F465 PolarHBondContact O-N 3.01Å; L462-F465 HydrophobicContact CD1-CD1 3.95Å; L462-F465 PolarHBondContact O-N 3.38Å; F465-H467 VanDerWaalsContact C-N 3.31Å; F465-H467 PolarHBondContact O-N 3.02Å; F465-R468 PolarHBondContact O-N 3Å; F465-S469 WeakPolarHBondContact O-CB 3.18Å; F465-S469 PolarHBondContact O-N 3.32Å; F465-S469 PolarHBondContact O-OG 2.95Å |
| 466 | L | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.3 | -66.4 | 174.4 | 0 | 0 | 0 | 111.6 | F418 V421 L462 S470 S471 L474 L475 L478 | F418-L466 HydrophobicContact CD1-CD2 4.06Å; F418-L466 HydrophobicContact CE1-CD2 3.72Å; V421-L466 HydrophobicContact CG1-CD1 4.42Å; L462-L466 HydrophobicContact CD1-CD1 4.26Å; L462-L466 HydrophobicContact CD1-CG 4.13Å; L462-L466 HydrophobicContact CG-CD1 4.33Å; L462-L466 WeakPolarHBondContact O-CG 3.47Å; L462-L466 PolarHBondContact O-N 3.19Å; L466-S470 PolarHBondContact O-N 2.95Å; L466-S471 PolarHBondContact O-N 3.2Å; L466-L474 HydrophobicContact CD2-CB 4.3Å; L466-L475 HydrophobicContact CB-CB 4.01Å; L466-L475 HydrophobicContact CB-CD1 4.28Å; L466-L475 HydrophobicContact CD1-CB 4.4Å; L466-L475 HydrophobicContact CD1-CD1 4.37Å; L466-L478 HydrophobicContact CD1-CD2 3.77Å |
| 467 | H | 88.7 | Confident | 88.6 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.2 | -48.1 | 175.8 | -171 | -84.5 | 0 | 0 | 0 | 112.4 | F463 E464 F465 S469 S470 L475 | F463-H467 VanDerWaalsContact O-CB 3.31Å; F463-H467 WeakPolarHBondContact O-CB 3.49Å; F463-H467 PolarHBondContact O-N 3.42Å; E464-H467 PolarHBondContact O-N 3.03Å; F465-H467 VanDerWaalsContact C-N 3.31Å; F465-H467 PolarHBondContact O-N 3.02Å; H467-S469 PolarHBondContact O-N 3.04Å; H467-S470 PolarHBondContact O-N 3.07Å; H467-S470 VanDerWaalsContact O-N 3.16Å; H467-L475 HydrophobicContact CB-CD2 3.93Å |
| 468 | R | 85.9 | Confident | 88.7 | Confident | 190 Ų | 190 | 58.3 Ų | 58.3 | 72% | 0.717 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -27.1 | 178.2 | -71.9 | 166.2 | -174.5 | -134.8 | 9.3 | 112.5 | E464 F465 | E464-R468 VanDerWaalsContact O-CB 3.29Å; E464-R468 WeakPolarHBondContact O-CB 3.49Å; E464-R468 WeakPolarHBondContact O-CD 3.44Å; E464-R468 WeakPolarHBondContact O-CG 3.4Å; E464-R468 PolarHBondContact O-N 3.44Å; E464-R468 IonicContact OE2-CZ 3Å; E464-R468 IonicContact OE2-NE 3.82Å; E464-R468 PolarHBondContact OE2-NE 3.09Å; E464-R468 IonicContact OE2-NH2 3.32Å; E464-R468 PolarHBondContact OE2-NH2 2.97Å; F465-R468 PolarHBondContact O-N 3Å |
| 469 | S | 83.7 | Confident | 88.6 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.6 | 180 | -51.1 | 0 | 0 | 0 | 0 | 114.2 | F465 H467 S471 | F465-S469 WeakPolarHBondContact O-CB 3.18Å; F465-S469 PolarHBondContact O-N 3.32Å; F465-S469 PolarHBondContact O-OG 2.95Å; H467-S469 PolarHBondContact O-N 3.04Å; S469-S471 PolarHBondContact O-N 3.33Å; S469-S471 VanDerWaalsContact O-N 3.15Å; S469-S471 PolarHBondContact O-OG 3.04Å |
| 470 | S | 80 | Confident | 88.6 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 14.5 | -177.2 | -54.4 | 0 | 0 | 0 | 0 | 115.6 | L466 H467 L472 | L466-S470 PolarHBondContact O-N 2.95Å; H467-S470 PolarHBondContact O-N 3.07Å; H467-S470 VanDerWaalsContact O-N 3.16Å; S470-L472 PolarHBondContact O-N 3.13Å |
| 471 | S | 84.5 | Confident | 88.5 | Confident | 32 Ų | 32 | 62 Ų | 62 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | trans | -82.1 | 54.3 | -180 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | F418 L466 S469 D473 L474 L475 | F418-S471 WeakPolarHBondContact CE1-OG 3.41Å; L466-S471 PolarHBondContact O-N 3.2Å; S469-S471 PolarHBondContact O-N 3.33Å; S469-S471 VanDerWaalsContact O-N 3.15Å; S469-S471 PolarHBondContact O-OG 3.04Å; S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.47Å; S471-L474 PolarHBondContact O-N 3.14Å; S471-L475 PolarHBondContact O-N 2.86Å | ||
| 472 | L | 83.4 | Confident | 88.3 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -28.5 | -168.1 | -64.6 | 178.7 | 0 | 0 | 0 | 113.5 | S470 L475 R476 | S470-L472 PolarHBondContact O-N 3.13Å; L472-L475 HydrophobicContact CD2-CD2 4.33Å; L472-L475 PolarHBondContact O-N 2.91Å; L472-R476 WeakPolarHBondContact O-CB 3.24Å; L472-R476 PolarHBondContact O-N 2.94Å |
| 473 | D | 86.9 | Confident | 87.9 | Confident | 100 Ų | 100 | 61.7 Ų | 61.7 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.4 | -39.6 | 178.4 | -54.3 | -54.6 | 0 | 0 | 0 | 112 | S471 L475 R476 S477 | S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.47Å; D473-L475 VanDerWaalsContact C-N 3.33Å; D473-L475 PolarHBondContact O-N 3.4Å; D473-R476 PolarHBondContact O-N 3.49Å; D473-R476 IonicContact OD1-CZ 3.62Å; D473-R476 VanDerWaalsContact OD1-CZ 3.29Å; D473-R476 IonicContact OD1-NH1 3.82Å; D473-R476 PolarHBondContact OD1-NH1 3.42Å; D473-R476 IonicContact OD1-NH2 2.78Å; D473-R476 PolarHBondContact OD1-NH2 3.37Å; D473-S477 WeakPolarHBondContact O-CB 3.3Å; D473-S477 PolarHBondContact O-N 3.17Å; D473-S477 PolarHBondContact O-OG 3.23Å |
| 474 | L | 89 | Confident | 87.1 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 168.8 | -69.9 | 177.3 | 0 | 0 | 0 | 111.2 | F418 D422 I425 L466 S471 L478 | F418-L474 HydrophobicContact CD1-CD1 3.97Å; F418-L474 HydrophobicContact CE1-CD1 4.5Å; D422-L474 HydrophobicContact CB-CD2 3.93Å; I425-L474 HydrophobicContact CD1-CB 4.46Å; I425-L474 HydrophobicContact CD1-CD2 3.91Å; L466-L474 HydrophobicContact CD2-CB 4.3Å; S471-L474 PolarHBondContact O-N 3.14Å; L474-L478 WeakPolarHBondContact O-CB 3.47Å; L474-L478 PolarHBondContact O-N 3.39Å |
| 475 | L | 89.1 | Confident | 85.3 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.6 | 179.7 | 60.3 | 0 | 0 | 0 | 112.3 | F463 L466 H467 S471 L472 D473 R479 | F463-L475 HydrophobicContact CB-CD1 3.95Å; F463-L475 HydrophobicContact CD1-CD1 3.76Å; F463-L475 HydrophobicContact CG-CD1 4.18Å; L466-L475 HydrophobicContact CB-CB 4.01Å; L466-L475 HydrophobicContact CB-CD1 4.28Å; L466-L475 HydrophobicContact CD1-CB 4.4Å; L466-L475 HydrophobicContact CD1-CD1 4.37Å; H467-L475 HydrophobicContact CB-CD2 3.93Å; S471-L475 PolarHBondContact O-N 2.86Å; L472-L475 HydrophobicContact CD2-CD2 4.33Å; L472-L475 PolarHBondContact O-N 2.91Å; D473-L475 VanDerWaalsContact C-N 3.33Å; D473-L475 PolarHBondContact O-N 3.4Å; L475-R479 WeakPolarHBondContact O-CG 3.26Å; L475-R479 PolarHBondContact O-N 2.9Å; L475-R479 VanDerWaalsContact O-N 3.1Å |
| 476 | R | 89.2 | Confident | 83 | Confident | 140 Ų | 140 | 67.8 Ų | 67.8 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -51.8 | 178 | -163 | -173.9 | -51.3 | 99.3 | 3.4 | 110.6 | L472 D473 L478 R479 V480 | L472-R476 WeakPolarHBondContact O-CB 3.24Å; L472-R476 PolarHBondContact O-N 2.94Å; D473-R476 PolarHBondContact O-N 3.49Å; D473-R476 IonicContact OD1-CZ 3.62Å; D473-R476 VanDerWaalsContact OD1-CZ 3.29Å; D473-R476 IonicContact OD1-NH1 3.82Å; D473-R476 PolarHBondContact OD1-NH1 3.42Å; D473-R476 IonicContact OD1-NH2 2.78Å; D473-R476 PolarHBondContact OD1-NH2 3.37Å; R476-L478 VanDerWaalsContact C-N 3.33Å; R476-L478 PolarHBondContact O-N 2.91Å; R476-R479 PolarHBondContact O-N 3.4Å; R476-V480 WeakPolarHBondContact O-CG2 3.15Å; R476-V480 PolarHBondContact O-N 3.34Å |
| 477 | S | 90.9 | Very high | 80.2 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | D473 V480 L481 | D473-S477 WeakPolarHBondContact O-CB 3.3Å; D473-S477 PolarHBondContact O-N 3.17Å; D473-S477 PolarHBondContact O-OG 3.23Å; S477-V480 PolarHBondContact O-N 2.77Å; S477-L481 VanDerWaalsContact O-CB 3.32Å; S477-L481 WeakPolarHBondContact O-CB 3.36Å; S477-L481 PolarHBondContact O-N 3.23Å |
| 478 | L | 91 | Very high | 77.5 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 173.4 | -172.7 | 61.3 | 0 | 0 | 0 | 112.2 | V421 I425 L462 F463 L466 L474 R476 L481 L482 | V421-L478 HydrophobicContact CG1-CD2 4.24Å; I425-L478 HydrophobicContact CD1-CB 4.03Å; I425-L478 HydrophobicContact CG1-CD1 4.42Å; L462-L478 HydrophobicContact CD2-CD2 3.71Å; L462-L478 HydrophobicContact CG-CD2 4.13Å; F463-L478 HydrophobicContact CD1-CD2 4.15Å; F463-L478 HydrophobicContact CE1-CD2 3.81Å; F463-L478 HydrophobicContact CE1-CG 4.09Å; L466-L478 HydrophobicContact CD1-CD2 3.77Å; L474-L478 WeakPolarHBondContact O-CB 3.47Å; L474-L478 PolarHBondContact O-N 3.39Å; R476-L478 VanDerWaalsContact C-N 3.33Å; R476-L478 PolarHBondContact O-N 2.91Å; L478-L481 HydrophobicContact CD1-CD2 4.42Å; L478-L481 PolarHBondContact O-N 3.09Å; L478-L482 HydrophobicContact CD1-CD1 4.04Å; L478-L482 HydrophobicContact CD1-CG 4.25Å; L478-L482 HydrophobicContact CG-CD1 4.04Å; L478-L482 WeakPolarHBondContact O-CB 3.44Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 3.34Å |
| 479 | R | 90.7 | Very high | 74.7 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.5 | -77.3 | 176.8 | -178.9 | 173.4 | 0.3 | 112 | F463 L475 R476 L482 G483 L484 | F463-R479 HydrophobicContact CE1-CG 4.49Å; L475-R479 WeakPolarHBondContact O-CG 3.26Å; L475-R479 PolarHBondContact O-N 2.9Å; L475-R479 VanDerWaalsContact O-N 3.1Å; R476-R479 PolarHBondContact O-N 3.4Å; R479-L482 CarbonylContact O-C 3.03Å; R479-L482 PolarHBondContact O-N 2.91Å; R479-G483 PolarHBondContact O-N 2.96Å; R479-L484 HydrophobicContact CB-CB 4.3Å; R479-L484 HydrophobicContact CG-CB 4.42Å; R479-L484 PolarHBondContact O-N 3.04Å |
| 480 | V | 90.1 | Very high | 72.1 | Confident | 82 Ų | 82 | 77 Ų | 77 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 175 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | R444 R476 S477 L482 G483 | R444-V480 PolarHBondContact NH2-O 3.43Å; R444-V480 VanDerWaalsContact NH2-O 3.09Å; R476-V480 WeakPolarHBondContact O-CG2 3.15Å; R476-V480 PolarHBondContact O-N 3.34Å; S477-V480 PolarHBondContact O-N 2.77Å; V480-L482 VanDerWaalsContact C-N 3.25Å; V480-L482 PolarHBondContact O-N 2.78Å; V480-G483 PolarHBondContact O-N 3.15Å |
| 481 | L | 90.6 | Very high | 69.7 | Low | 15 Ų | 15 | 77.7 Ų | 77.7 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.5 | -42.7 | 175.3 | 174.7 | 57.1 | 0 | 0 | 0 | 111.6 | L424 I425 V428 V440 V443 R444 S477 L478 G483 | L424-L481 HydrophobicContact CG-CD2 4.39Å; I425-L481 HydrophobicContact CG1-CD2 4.3Å; V428-L481 HydrophobicContact CB-CD1 4.26Å; V428-L481 HydrophobicContact CG1-CD1 3.81Å; V428-L481 HydrophobicContact CG2-CD1 3.99Å; V428-L481 HydrophobicContact CG2-CD2 4.38Å; V440-L481 HydrophobicContact CG2-CD1 4.11Å; V443-L481 HydrophobicContact CG1-CD1 4.4Å; V443-L481 HydrophobicContact CG1-CD2 4.29Å; V443-L481 HydrophobicContact CG1-CG 4.38Å; R444-L481 PolarHBondContact NE-O 3.28Å; R444-L481 PolarHBondContact NH2-O 3.3Å; R444-L481 VanDerWaalsContact NH2-O 3.16Å; S477-L481 VanDerWaalsContact O-CB 3.32Å; S477-L481 WeakPolarHBondContact O-CB 3.36Å; S477-L481 PolarHBondContact O-N 3.23Å; L478-L481 HydrophobicContact CD1-CD2 4.42Å; L478-L481 PolarHBondContact O-N 3.09Å; L481-G483 VanDerWaalsContact C-N 3.34Å; L481-G483 PolarHBondContact O-N 3.39Å |
| 482 | L | 88.5 | Confident | 66.9 | Low | 22 Ų | 22 | 81.8 Ų | 81.8 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 2.6 | -179.8 | -61.4 | 179.6 | 0 | 0 | 0 | 114.8 | L447 I459 F463 L478 R479 V480 L484 | L447-L482 HydrophobicContact CD2-CD1 3.77Å; L447-L482 HydrophobicContact CD2-CD2 3.55Å; L447-L482 HydrophobicContact CD2-CG 4.29Å; I459-L482 HydrophobicContact CD1-CD1 3.84Å; F463-L482 HydrophobicContact CE1-CD1 4.17Å; F463-L482 HydrophobicContact CZ-CD1 3.93Å; L478-L482 HydrophobicContact CD1-CD1 4.04Å; L478-L482 HydrophobicContact CD1-CG 4.25Å; L478-L482 HydrophobicContact CG-CD1 4.04Å; L478-L482 WeakPolarHBondContact O-CB 3.44Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 3.34Å; R479-L482 CarbonylContact O-C 3.03Å; R479-L482 PolarHBondContact O-N 2.91Å; V480-L482 VanDerWaalsContact C-N 3.25Å; V480-L482 PolarHBondContact O-N 2.78Å; L482-L484 VanDerWaalsContact C-N 3.26Å; L482-L484 HydrophobicContact CB-CD1 4.17Å; L482-L484 HydrophobicContact CB-CG 4.16Å; L482-L484 PolarHBondContact O-N 2.79Å |
| 483 | G | 82 | Confident | 64.5 | Low | 37 Ų | 37 | 84 Ų | 84 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R479 V480 L481 E485 | R479-G483 PolarHBondContact O-N 2.96Å; V480-G483 PolarHBondContact O-N 3.15Å; L481-G483 VanDerWaalsContact C-N 3.34Å; L481-G483 PolarHBondContact O-N 3.39Å; G483-E485 VanDerWaalsContact C-N 3.31Å; G483-E485 PolarHBondContact O-N 3.08Å; G483-E485 VanDerWaalsContact O-N 3.14Å |
| 484 | L | 74.9 | Confident | 61.6 | Low | 59 Ų | 59 | 83.8 Ų | 83.8 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | trans | -89.8 | 66.6 | -178.1 | -60.6 | 176.2 | 0 | 0 | 0 | 110.5 | F463 R479 L482 L540 | F463-L484 HydrophobicContact CE2-CD1 3.7Å; F463-L484 HydrophobicContact CZ-CD1 3.5Å; F463-L484 VanDerWaalsContact CZ-CD1 3.5Å; R479-L484 HydrophobicContact CB-CB 4.3Å; R479-L484 HydrophobicContact CG-CB 4.42Å; R479-L484 PolarHBondContact O-N 3.04Å; L482-L484 VanDerWaalsContact C-N 3.26Å; L482-L484 HydrophobicContact CB-CD1 4.17Å; L482-L484 HydrophobicContact CB-CG 4.16Å; L482-L484 PolarHBondContact O-N 2.79Å; L484-L540 HydrophobicContact CD2-CD1 4.26Å | ||
| 485 | E | 52.8 | Low | 58.9 | Low | 134 Ų | 134 | 88 Ų | 88 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | trans | -53.5 | 125.6 | 174.7 | -84.1 | -63.3 | 131.3 | 0 | 0 | 111.6 | G483 N487 | G483-E485 VanDerWaalsContact C-N 3.31Å; G483-E485 PolarHBondContact O-N 3.08Å; G483-E485 VanDerWaalsContact O-N 3.14Å; E485-N487 PolarHBondContact O-N 3.2Å; E485-N487 VanDerWaalsContact O-N 3.14Å | ||
| 486 | P | 42.4 | Very low | 56.2 | Low | 76 Ų | 76 | 93 Ų | 93 | 49% | 0.494 | 54% | 0.538 | S | S | . | . | trans | -76.3 | 100.2 | 170.4 | 31 | -30.4 | 0 | 0 | 0 | 108.9 | T488 | P486-T488 WeakPolarHBondContact O-CB 3.25Å; P486-T488 PolarHBondContact O-N 2.99Å; P486-T488 PolarHBondContact O-OG1 2.87Å | ||
| 487 | N | 29.4 | Very low | 53.4 | Low | 154 Ų | 154 | 92 Ų | 92 | 82% | 0.824 | 55% | 0.55 | S | S | * | * | trans | -45.2 | 96.1 | 176 | -84.3 | -17.6 | 0 | 0 | 0 | 112.2 | E485 | E485-N487 PolarHBondContact O-N 3.2Å; E485-N487 VanDerWaalsContact O-N 3.14Å | ||
| 488 | T | 31.6 | Very low | 50.6 | Low | 102 Ų | 102 | 95.3 Ų | 95.3 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | trans | -124.4 | 64.9 | -177 | -48 | 0 | 0 | 0 | 0 | 108.9 | P486 L490 | P486-T488 WeakPolarHBondContact O-CB 3.25Å; P486-T488 PolarHBondContact O-N 2.99Å; P486-T488 PolarHBondContact O-OG1 2.87Å; T488-L490 HydrophobicContact CG2-CB 4.42Å; T488-L490 HydrophobicContact CG2-CD1 4.34Å; T488-L490 HydrophobicContact CG2-CG 4.46Å; T488-L490 PolarHBondContact O-N 3.35Å | ||
| 489 | T | 27.7 | Very low | 47.9 | Very low | 136 Ų | 136 | 103 Ų | 103 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | trans | -71.3 | 59.3 | 167.1 | 37.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 490 | L | 29 | Very low | 45.2 | Very low | 149 Ų | 149 | 105.9 Ų | 105.9 | 78% | 0.78 | 63% | 0.626 | S | S | * | * | trans | -95.1 | 92 | 160.5 | -77 | 174.6 | 0 | 0 | 0 | 107.8 | T488 S492 | T488-L490 HydrophobicContact CG2-CB 4.42Å; T488-L490 HydrophobicContact CG2-CD1 4.34Å; T488-L490 HydrophobicContact CG2-CG 4.46Å; T488-L490 PolarHBondContact O-N 3.35Å; L490-S492 PolarHBondContact O-N 2.95Å | ||
| 491 | T | 29 | Very low | 42.7 | Very low | 114 Ų | 114 | 107.2 Ų | 107.2 | 70% | 0.699 | 64% | 0.636 | S | S | * | * | trans | -61.9 | 99.5 | 173.5 | 46.7 | 0 | 0 | 0 | 0 | 110 | I493 | T491-I493 PolarHBondContact O-N 3.22Š| ||
| 492 | S | 27.4 | Very low | 40 | Very low | 119 Ų | 119 | 112 Ų | 112 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -69.2 | 78 | 163.4 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | L490 A494 | L490-S492 PolarHBondContact O-N 2.95Å; S492-A494 PolarHBondContact O-N 2.86Å | ||
| 493 | I | 31.3 | Very low | 37.2 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | trans | -58.2 | 125.9 | 172.4 | -64.4 | 175.7 | 0 | 0 | 0 | 107.8 | T491 V495 | T491-I493 PolarHBondContact O-N 3.22Å; I493-V495 HydrophobicContact CG2-CG2 4.31Å; I493-V495 PolarHBondContact O-N 3.17Å | ||
| 494 | A | 26.9 | Very low | 35 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | -67.9 | 121.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S492 | S492-A494 PolarHBondContact O-N 2.86Š| ||
| 495 | V | 32.6 | Very low | 33 | Very low | 121 Ų | 121 | 130 Ų | 130 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -134.9 | 126.7 | 171.3 | -168.4 | 0 | 0 | 0 | 0 | 108.1 | I493 | I493-V495 HydrophobicContact CG2-CG2 4.31Å; I493-V495 PolarHBondContact O-N 3.17Å | ||
| 496 | P | 31.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 164.2 | 172.2 | 30.1 | -34.4 | 0 | 0 | 0 | 111 | ||||
| 497 | P | 31.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 150.4 | -166.9 | 30.3 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 498 | V | 31.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | 167 | 149.3 | 124.2 | 155.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 499 | E | 33.7 | Very low | 31.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 90.4 | 163.4 | -80.7 | 154.9 | -140.4 | 0 | 0 | 122.9 | ||||
| 500 | N | 34.7 | Very low | 32.5 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | 64.5 | 159 | 107.8 | -81.3 | -18 | 0 | 0 | 0 | 123 | |||||
| 501 | P | 35.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -125.5 | 169 | -144.2 | 43.4 | -32.1 | 0 | 0 | 0 | 116.8 | ||||
| 502 | S | 34.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 178.8 | 130.2 | 124.6 | 41.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 503 | R | 30.4 | Very low | 33.5 | Very low | 250 Ų | 250 | 133.5 Ų | 133.5 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | 51.8 | 160.6 | 147.9 | -86 | -161.3 | 155.4 | -175.2 | -6.3 | 124.5 | ||||
| 504 | P | 35.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -129.8 | 176.9 | -168.4 | 45.1 | -30.6 | 0 | 0 | 0 | 116.1 | ||||
| 505 | T | 33.4 | Very low | 34.4 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | -177.4 | 161.4 | 129.8 | 27.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 506 | P | 36.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -125.1 | 161.9 | -175.8 | 41.8 | -29.3 | 0 | 0 | 0 | 117 | ||||
| 507 | E | 32.9 | Very low | 35 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 171.2 | 164.1 | 165.7 | -92 | -94.8 | 94.1 | 0 | 0 | 109.3 | ||||
| 508 | K | 31.1 | Very low | 35.3 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | cis | -168.1 | 109.3 | -18.2 | -169.5 | -163.9 | -143.2 | 77.2 | 0 | 114.8 | ||||
| 509 | W | 33 | Very low | 35.5 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | 57.4 | -163.1 | 152.1 | -62.7 | 73.2 | 0 | 0 | 0 | 119.8 | ||||
| 510 | P | 39.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -138.2 | 177.4 | -98.7 | 45.2 | -27.1 | 0 | 0 | 0 | 118.8 | |||||
| 511 | G | 32.6 | Very low | 35.5 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 160.2 | 135.1 | 162 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 512 | P | 40.3 | Very low | 35.4 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -132 | 166.4 | -175.8 | 42.7 | -29.9 | 0 | 0 | 0 | 119.2 | ||||
| 513 | G | 35.2 | Very low | 35.4 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 141.9 | 165.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 514 | D | 38.1 | Very low | 35.3 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | cis | -172.4 | 160.5 | -30.7 | -142.8 | -39.4 | 0 | 0 | 0 | 114 | ||||
| 515 | T | 38.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 172.1 | 160.2 | 74.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 516 | P | 40.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | -138.6 | -166.5 | -51.4 | 34 | -12.8 | 0 | 0 | 0 | 116.4 | |||||
| 517 | V | 37.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 119.5 | 113.2 | 144.5 | -173.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 518 | V | 36.5 | Very low | 34 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 73.4 | 157.1 | 152.4 | 153.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 519 | S | 36.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | -176.5 | 155.1 | -50.4 | -89.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 520 | T | 33.6 | Very low | 33.7 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 61.8 | 142.6 | 160.9 | 54.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 521 | N | 35.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | cis | -161.3 | 147 | -4.3 | -117.8 | -1 | 0 | 0 | 0 | 112.1 | ||||
| 522 | S | 34.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 47.5 | 140.6 | 157.4 | 54.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 523 | S | 33.8 | Very low | 32.7 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | cis | -174.6 | 152 | -0.3 | 45.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 524 | S | 28.1 | Very low | 32.4 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -162.7 | 96.4 | -9 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 525 | V | 27.2 | Very low | 32 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -146 | 137.6 | -176.7 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 526 | A | 27.7 | Very low | 31.6 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 127.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 527 | N | 27.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | 81.5 | 102.6 | 127.9 | -65.8 | 2.4 | 0 | 0 | 0 | 124.8 | |||||
| 528 | T | 29.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 82.4 | 155.5 | 110.4 | -45.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 529 | T | 28.7 | Very low | 30 | Very low | 116 Ų | 116 | 127 Ų | 127 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | 81.3 | 152 | 175.9 | 74.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 530 | V | 28.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | cis | -136.7 | 134.8 | 17.8 | 168.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 531 | V | 30.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | cis | 89.8 | 112.9 | 39.4 | 174.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 532 | S | 30.3 | Very low | 29.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 170.5 | 142.4 | 146.8 | -88 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 533 | R | 29.7 | Very low | 28.7 | Very low | 214 Ų | 214 | 130.3 Ų | 130.3 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | cis | -157.7 | 122.6 | 3.2 | -164.4 | 170.2 | -168.2 | 162.4 | 3.5 | 112.9 | ||||
| 534 | N | 28.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 148.2 | 153.9 | -56 | 6.2 | 0 | 0 | 0 | 119.1 | ||||
| 535 | Q | 30.9 | Very low | 28.5 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | cis | -135.2 | 139.4 | 19.3 | -64 | 174.1 | 8.6 | 0 | 0 | 113.5 | ||||
| 536 | T | 29.2 | Very low | 28.7 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 27.9 | 104.2 | 151.5 | 53.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 537 | T | 25.8 | Very low | 28.7 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | 65.9 | 137.6 | 77.8 | 65.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 538 | T | 28.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | cis | -134.8 | 168 | 25.2 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 539 | S | 25.6 | Very low | 28.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -150 | 148.9 | 164.8 | -68.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 540 | L | 29.2 | Very low | 28.4 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -105.4 | 143.5 | -176 | -75.1 | 168 | 0 | 0 | 0 | 111.7 | L484 | L484-L540 HydrophobicContact CD2-CD1 4.26Š| ||
| 541 | T | 26 | Very low | 28.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 130.2 | 168.8 | -57 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 542 | V | 31.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 142 Ų | 142 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -113.9 | 124.6 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 543 | T | 26.6 | Very low | 27.9 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -109 | 135.7 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 544 | R | 31.6 | Very low | 27.7 | Very low | 256 Ų | 256 | 140 Ų | 140 | 97% | 0.966 | 80% | 0.796 | S | S | * | * | trans | -145.8 | 140.4 | 153.8 | -147.5 | 169.4 | -175.9 | 174.2 | 0.2 | 109.6 | ||||
| 545 | S | 25.9 | Very low | 27.7 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -109.4 | 160.8 | -166.1 | 52.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 546 | L | 30.9 | Very low | 27.6 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -159.9 | 122.2 | 147 | -107.5 | 163.3 | 0 | 0 | 0 | 111.3 | ||||
| 547 | S | 27.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 19.6 | 126.9 | 159.2 | 54 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 548 | P | 25.2 | Very low | 27.8 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 164.8 | 170.8 | 38.6 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 549 | V | 28.9 | Very low | 28 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -130.5 | 139.8 | 159.7 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 550 | T | 24.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -95.4 | 151.1 | -171.1 | -38.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 551 | L | 26.9 | Very low | 28.8 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | 174.1 | 134.6 | 125.3 | -90 | 161.7 | 0 | 0 | 0 | 113.4 | |||||
| 552 | L | 29 | Very low | 29.5 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 57.3 | 90.9 | 149.5 | -55 | 176.1 | 0 | 0 | 0 | 121.1 | ||||
| 553 | T | 24.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | 22.4 | 106.1 | 119.8 | 56.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 554 | D | 25 | Very low | 29.9 | Very low | 155 Ų | 155 | 120 Ų | 120 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | -166.2 | 163.6 | 118 | -148.3 | -17 | 0 | 0 | 0 | 111.7 | |||||
| 555 | S | 27.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | 67.5 | 136.8 | 158 | 77.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 556 | G | 28.7 | Very low | 29.9 | Very low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | trans | 82.9 | 135.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 557 | P | 30.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -75.5 | 132.7 | 161.5 | 31.7 | -31.6 | 0 | 0 | 0 | 110.4 | T559 | P557-T559 PolarHBondContact O-N 3.25Š| ||
| 558 | P | 30.2 | Very low | 29.6 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | trans | -79.1 | 112.6 | -171.5 | 29.7 | -34.8 | 0 | 0 | 0 | 112.9 | D560 | P558-D560 PolarHBondContact O-N 3.15Š| ||
| 559 | T | 31.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | trans | -79.4 | 108.5 | 165.2 | 53.3 | 0 | 0 | 0 | 0 | 110 | P557 P561 | P557-T559 PolarHBondContact O-N 3.25Å; T559-P561 WeakPolarHBondContact O-CD 3.46Å | ||
| 560 | D | 36.7 | Very low | 29.6 | Very low | 48 Ų | 48 | 106.8 Ų | 106.8 | 26% | 0.257 | 64% | 0.638 | S | S | . | * | trans | -60.1 | 119.6 | 176.1 | -172.4 | -24.5 | 0 | 0 | 0 | 109.9 | R452 P558 R562 L563 | R452-D560 IonicContact NH2-OD2 2.81Å; P558-D560 PolarHBondContact O-N 3.15Å; D560-R562 PolarHBondContact O-N 3.39Å; D560-R562 VanDerWaalsContact OD1-CB 3.24Å; D560-R562 WeakPolarHBondContact OD1-CB 3.48Å; D560-R562 WeakPolarHBondContact OD1-CG 3.35Å; D560-R562 PolarHBondContact OD1-N 3.41Å; D560-L563 PolarHBondContact O-N 3.22Å | ||
| 561 | P | 36 | Very low | 29.7 | Very low | 97 Ų | 97 | 109 Ų | 109 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -60.6 | -19.8 | -179.6 | 24.9 | -34.5 | 0 | 0 | 0 | 112.6 | T559 L563 T564 | T559-P561 WeakPolarHBondContact O-CD 3.46Å; P561-L563 PolarHBondContact O-N 2.89Å; P561-T564 PolarHBondContact O-N 3.49Å; P561-T564 PolarHBondContact O-OG1 3.26Å |
| 562 | R | 39.6 | Very low | 29.7 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 29% | 0.291 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -71 | -9.2 | 176.9 | -60.2 | 173.1 | 57.4 | -136.3 | -18.3 | 113.6 | P391 E449 R452 D560 | P391-R562 VanDerWaalsContact O-CZ 3.3Å; P391-R562 PolarHBondContact O-NH2 3.16Å; E449-R562 VanDerWaalsContact CD-NH2 3.32Å; E449-R562 VanDerWaalsContact CG-NH2 3.34Å; E449-R562 IonicContact OE1-CZ 3.88Å; E449-R562 IonicContact OE1-NH1 3.42Å; E449-R562 PolarHBondContact OE1-NH1 2.9Å; E449-R562 IonicContact OE1-NH2 3.88Å; E449-R562 PolarHBondContact OE1-NH2 3.01Å; E449-R562 IonicContact OE2-NH1 3.41Å; R452-R562 VanDerWaalsContact NH2-NH1 3.12Å; D560-R562 PolarHBondContact O-N 3.39Å; D560-R562 VanDerWaalsContact OD1-CB 3.24Å; D560-R562 WeakPolarHBondContact OD1-CB 3.48Å; D560-R562 WeakPolarHBondContact OD1-CG 3.35Å; D560-R562 PolarHBondContact OD1-N 3.41Å |
| 563 | L | 37.3 | Very low | 29.6 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 43% | 0.429 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -101.3 | 5.4 | 169.8 | -66.1 | 171.7 | 0 | 0 | 0 | 113.2 | D560 P561 | D560-L563 PolarHBondContact O-N 3.22Å; P561-L563 PolarHBondContact O-N 2.89Å |
| 564 | T | 30.5 | Very low | 29.7 | Very low | 73 Ų | 73 | 99.7 Ų | 99.7 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -138.2 | 144.4 | -177.5 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | P561 | P561-T564 PolarHBondContact O-N 3.49Å; P561-T564 PolarHBondContact O-OG1 3.26Å |
| 565 | R | 29.9 | Very low | 29.7 | Very low | 205 Ų | 205 | 98.8 Ų | 98.8 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | trans | 58 | 83.2 | 168.5 | -69.4 | 177.6 | 163.2 | -168.2 | -1 | 117.6 | H567 | R565-H567 VanDerWaalsContact C-N 3.26Å; R565-H567 PolarHBondContact O-N 3.42Å | ||
| 566 | G | 27.2 | Very low | 29.6 | Very low | 57 Ų | 57 | 99 Ų | 99 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | trans | -66.9 | 82.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A568 | G566-A568 PolarHBondContact O-N 3.4Š| ||
| 567 | H | 26.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 101.2 Ų | 101.2 | 54% | 0.542 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -71.5 | 14.6 | -173.9 | -117.7 | -60.7 | 0 | 0 | 0 | 115.3 | R565 A569 I570 | R565-H567 VanDerWaalsContact C-N 3.26Å; R565-H567 PolarHBondContact O-N 3.42Å; H567-A569 PolarHBondContact O-N 3.1Å; H567-I570 WeakPolarHBondContact CE1-CD1 3.35Å |
| 568 | A | 26.2 | Very low | 29.3 | Very low | 62 Ų | 62 | 102.7 Ų | 102.7 | 51% | 0.512 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -76.2 | -15.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G566 I570 | G566-A568 PolarHBondContact O-N 3.4Å; A568-I570 PolarHBondContact O-N 3.05Å; A568-I570 VanDerWaalsContact O-N 3.15Å |
| 569 | A | 26.7 | Very low | 29.2 | Very low | 93 Ų | 93 | 104.6 Ų | 104.6 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -76.9 | 7.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H567 | H567-A569 PolarHBondContact O-N 3.1Š|
| 570 | I | 28.2 | Very low | 28.8 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 45% | 0.451 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -113.9 | -13.8 | -174.3 | -67 | 176 | 0 | 0 | 0 | 112.7 | H567 A568 A572 | H567-I570 WeakPolarHBondContact CE1-CD1 3.35Å; A568-I570 PolarHBondContact O-N 3.05Å; A568-I570 VanDerWaalsContact O-N 3.15Å; I570-A572 PolarHBondContact O-N 3.21Å |
| 571 | L | 26.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 109.6 Ų | 109.6 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -93.7 | 17.9 | -172.8 | -73.4 | 170.7 | 0 | 0 | 0 | 115.4 | ||
| 572 | A | 27.4 | Very low | 27.9 | Very low | 72 Ų | 72 | 111.2 Ų | 111.2 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -130.8 | 94.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I570 | I570-A572 PolarHBondContact O-N 3.21Š|
| 573 | G | 26.5 | Very low | 27.3 | Very low | 75 Ų | 75 | 115.5 Ų | 115.5 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 119.8 | 26.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 574 | A | 25.4 | Very low | 27 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | -143.7 | 60.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P576 | A574-P576 WeakPolarHBondContact O-CD 3.45Š| ||
| 575 | V | 25 | Very low | 26.8 | Very low | 136 Ų | 136 | 121 Ų | 121 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -103.9 | 104 | 165.2 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 576 | P | 25.6 | Very low | 26.8 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -76.5 | 128.4 | 170.3 | 30.6 | -31.6 | 0 | 0 | 0 | 109.8 | A574 | A574-P576 WeakPolarHBondContact O-CD 3.45Š| ||
| 577 | P | 26.4 | Very low | 26.9 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -75 | 138.8 | 172.2 | 30.7 | -33.2 | 0 | 0 | 0 | 111 | ||||
| 578 | N | 25.4 | Very low | 27.1 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 44.8 | 110.6 | 159.4 | -61.3 | -20.8 | 0 | 0 | 0 | 119.2 | ||||
| 579 | L | 28.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | -145.5 | 110.3 | 141.9 | -112 | 171.4 | 0 | 0 | 0 | 110.4 | ||||
| 580 | N | 23.8 | Very low | 27.2 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 121 | 174.8 | -77.4 | -28.6 | 0 | 0 | 0 | 110 | ||||
| 581 | S | 27.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -157.5 | 116.3 | 150.1 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 582 | T | 25.7 | Very low | 27.1 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -43.2 | 140.3 | 168.5 | 48.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 583 | L | 28.3 | Very low | 27.1 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | -176.2 | 162.3 | 116.1 | -89.4 | 160.6 | 0 | 0 | 0 | 108.5 | |||||
| 584 | P | 29.4 | Very low | 26.9 | Very low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | -130 | -169.6 | -139.9 | 42.3 | -26.6 | 0 | 0 | 0 | 116.7 | ||||
| 585 | E | 27 | Very low | 26.9 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 101.2 | 132.2 | 151.6 | -81 | -172.1 | 153.5 | 0 | 0 | 122.3 | ||||
| 586 | N | 30.2 | Very low | 27 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 71.3 | 147.7 | -60.8 | -27.3 | 0 | 0 | 0 | 122.9 | ||||
| 587 | L | 28.8 | Very low | 26.9 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | 65.8 | 158.5 | 125.6 | -89.1 | 73.1 | 0 | 0 | 0 | 121.1 | |||||
| 588 | P | 29.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -121.6 | 155.7 | -10.1 | 37.3 | -23.2 | 0 | 0 | 0 | 115.2 | ||||
| 589 | K | 29 | Very low | 27 | Very low | 201 Ų | 201 | 140.2 Ų | 140.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -111.2 | 158.5 | 153.5 | -68.8 | -176.5 | 178.2 | 179.5 | 0 | 108.4 | ||||
| 590 | P | 27.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -136.8 | -168.4 | 97.7 | 40.1 | -26.8 | 0 | 0 | 0 | 110.6 | |||||
| 591 | V | 27.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | cis | -135.9 | 154.5 | 3.8 | -165.6 | 0 | 0 | 0 | 0 | 108.8 | T593 | V591-T593 HydrophobicContact CG1-CG2 4.14Š| ||
| 592 | L | 24 | Very low | 26.9 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -151 | 121.6 | 160.7 | -160.5 | 174 | 0 | 0 | 0 | 107.4 | ||||
| 593 | T | 27.1 | Very low | 27.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -142.1 | 139.3 | -176.8 | 44.3 | 0 | 0 | 0 | 0 | 113.2 | V591 | V591-T593 HydrophobicContact CG1-CG2 4.14Š| ||
| 594 | T | 24.1 | Very low | 26.9 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -109.7 | 164.1 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 595 | S | 25 | Very low | 26.9 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 146.9 | 165.4 | -42.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 596 | E | 26.3 | Very low | 26.9 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | cis | -151.3 | 179.1 | 39 | -76.4 | -171.9 | 138.6 | 0 | 0 | 113.7 | ||||
| 597 | T | 24 | Very low | 26.6 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 140.8 | 178.9 | -38.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 598 | I | 24.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -171.1 | 152 | 144.4 | -104.5 | 152.4 | 0 | 0 | 0 | 110.7 | ||||
| 599 | P | 28.6 | Very low | 26.3 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -116.2 | 169.1 | -150.9 | 41.2 | -32.8 | 0 | 0 | 0 | 117.1 | ||||
| 600 | S | 23.8 | Very low | 26 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 63.7 | 125.3 | 151.9 | 63.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 601 | L | 25.6 | Very low | 26 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | -163 | 129.3 | 114.8 | -104.2 | 161.4 | 0 | 0 | 0 | 111.1 | |||||
| 602 | Q | 29.3 | Very low | 25.9 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 162.1 | 172.2 | -141 | 178 | 8.6 | 0 | 0 | 108.4 | ||||
| 603 | P | 30 | Very low | 26.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -151 | 146.5 | 88.6 | 37.3 | -19 | 0 | 0 | 0 | 117.3 | |||||
| 604 | N | 24.5 | Very low | 26.2 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 18.4 | 135.9 | 135.1 | -52 | -23.1 | 0 | 0 | 0 | 121 | ||||
| 605 | I | 27.9 | Very low | 26.2 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | -143.3 | 130.5 | 107.5 | -93.2 | 151.5 | 0 | 0 | 0 | 108.2 | |||||
| 606 | P | 27 | Very low | 26.1 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 60% | 0.597 | 76% | 0.764 | S | S | * | * | trans | -108.5 | 161.2 | 177.9 | 39.6 | -33.2 | 0 | 0 | 0 | 113.5 | ||||
| 607 | N | 25.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 176.3 | 116.1 | 139.2 | -91.1 | -29 | 0 | 0 | 0 | 108.9 | ||||
| 608 | T | 23.5 | Very low | 26 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | 83.5 | 148.8 | 65.8 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 609 | L | 26.9 | Very low | 26 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | 80.5 | 100.1 | -169.8 | -53.5 | 174.5 | 0 | 0 | 0 | 114.5 | ||||
| 610 | Q | 24.6 | Very low | 25.8 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | 81.7 | 98.9 | 41.3 | -166.4 | -163.5 | -1.7 | 0 | 0 | 113.6 | ||||
| 611 | Q | 26.6 | Very low | 26 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 175.7 | 117.6 | 124.4 | -95.9 | 173.8 | 36.2 | 0 | 0 | 114.4 | |||||
| 612 | N | 25.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 52.2 | 148.8 | 143 | -65.8 | -2.5 | 0 | 0 | 0 | 124.3 | ||||
| 613 | P | 32 | Very low | 25.9 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -96.1 | 146.2 | 176.8 | 37.8 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 614 | L | 24.9 | Very low | 25.8 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | -141 | 94 | 174 | -74 | 177.2 | 0 | 0 | 0 | 113.8 | ||||
| 615 | L | 23.5 | Very low | 25.9 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | 24.5 | 147 | 117.6 | -80 | 162.7 | 0 | 0 | 0 | 122.2 | |||||
| 616 | F | 23.1 | Very low | 25.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | 69.4 | 136.7 | 154.3 | -66.8 | -58 | 0 | 0 | 0 | 120.2 | I618 | F616-I618 HydrophobicContact CD1-CD1 4.35Å; F616-I618 HydrophobicContact CD1-CG1 4.41Å; F616-I618 HydrophobicContact CE1-CD1 4.19Å | ||
| 617 | T | 23 | Very low | 25.6 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | -147.3 | 134.2 | 104.9 | -70.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 618 | I | 25 | Very low | 25.7 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 61% | 0.605 | 75% | 0.747 | S | S | * | * | trans | -103 | 136.2 | 168.2 | -68.1 | 168.8 | 0 | 0 | 0 | 107.1 | F616 Q620 | F616-I618 HydrophobicContact CD1-CD1 4.35Å; F616-I618 HydrophobicContact CD1-CG1 4.41Å; F616-I618 HydrophobicContact CE1-CD1 4.19Å; I618-Q620 HydrophobicContact CG2-CG 4.36Å | ||
| 619 | S | 25.2 | Very low | 26.1 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -131.1 | 81.1 | 160.7 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 620 | Q | 25.2 | Very low | 26.1 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -77.3 | 135.6 | 143.1 | -67.1 | -176.7 | -59.8 | 0 | 0 | 106.4 | I618 | I618-Q620 HydrophobicContact CG2-CG 4.36Š| ||
| 621 | D | 27.3 | Very low | 26.2 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -146.4 | 148.2 | 162.8 | -127.9 | -23.4 | 0 | 0 | 0 | 112.3 | ||||
| 622 | D | 28.9 | Very low | 26.2 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | trans | 30 | 87.5 | 174.2 | -99.2 | -29.3 | 0 | 0 | 0 | 123.3 | ||||
| 623 | S | 24 | Very low | 26.3 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | 21.6 | 122.7 | 110 | 89.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 624 | K | 27.7 | Very low | 26 | Very low | 172 Ų | 172 | 137 Ų | 137 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | 180 | 122.4 | 127.8 | -101.7 | 152.5 | -168.5 | 144 | 0 | 114.8 | |||||
| 625 | T | 26.8 | Very low | 26.4 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | 50.2 | 142.9 | 140 | 55.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 626 | S | 24.8 | Very low | 26.7 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -178.3 | 120.4 | -4.1 | 163.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 627 | I | 24.6 | Very low | 26.8 | Very low | 145 Ų | 145 | 134 Ų | 134 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | trans | 73 | 137.3 | 134.4 | -61.1 | 177.4 | 0 | 0 | 0 | 121.9 | ||||
| 628 | I | 27.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 84.3 | 125.9 | 159.1 | -81.9 | 160.9 | 0 | 0 | 0 | 120.7 | ||||
| 629 | P | 32.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -117.2 | 180 | 170.8 | 43.3 | -34.3 | 0 | 0 | 0 | 115.2 | ||||
| 630 | A | 26.1 | Very low | 27.5 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 73.3 | 127 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 631 | R | 26.3 | Very low | 27.7 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | 179.7 | 141.2 | 114.7 | -102.7 | -177.2 | 162.7 | 159.6 | -3.2 | 114.8 | |||||
| 632 | N | 27.7 | Very low | 27.5 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | trans | 64.2 | 150.6 | 137.8 | -63.5 | 8.5 | 0 | 0 | 0 | 120.9 | ||||
| 633 | T | 27.2 | Very low | 27.3 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -168.5 | 138.2 | -20 | 28.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 634 | L | 25.9 | Very low | 27.2 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | 66 | 164.4 | 146 | -88.2 | 72.4 | 0 | 0 | 0 | 120.4 | ||||
| 635 | P | 32.5 | Very low | 27.1 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -135.4 | -173.5 | -143.4 | 46.4 | -30.8 | 0 | 0 | 0 | 116.3 | ||||
| 636 | T | 29.8 | Very low | 27 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -159.6 | 164.2 | 142.7 | -1.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 637 | L | 26.3 | Very low | 26.9 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -114.6 | -177.4 | -175.7 | -90.3 | 78.5 | 0 | 0 | 0 | 110.1 | ||||
| 638 | P | 31.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -139.3 | 162.4 | -45.9 | 38.5 | -22.9 | 0 | 0 | 0 | 114.3 | ||||
| 639 | S | 28.1 | Very low | 26.7 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -167.7 | 154.5 | 150.5 | 39.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 640 | L | 27.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -107 | 171.3 | -178.9 | -77.7 | 83 | 0 | 0 | 0 | 111 | ||||
| 641 | P | 28.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | cis | -130.8 | -172.5 | -21.8 | 30.2 | -9.1 | 0 | 0 | 0 | 113.6 | ||||
| 642 | R | 22.6 | Very low | 26.2 | Very low | 246 Ų | 246 | 148.3 Ų | 148.3 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | 90.1 | 108.8 | 167.1 | -60.6 | 177.4 | 166.8 | 171.8 | -4.9 | 118.2 | ||||
| 643 | S | 25.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -153.6 | 146.3 | 157.8 | 43.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 644 | S | 22.8 | Very low | 26 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | cis | 71.9 | 108.6 | 17.1 | -61.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 645 | Q | 24.5 | Very low | 26.1 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 79.1 | 131.8 | 166.7 | -60.1 | -178.5 | -21.2 | 0 | 0 | 118.7 | ||
| 646 | Q | 24.6 | Very low | 25.9 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 41.5 | 115.4 | 152.1 | -65.5 | 179.4 | -27.4 | 0 | 0 | 119.5 | ||||
| 647 | L | 23 | Very low | 25.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -142.8 | 130.2 | 152.3 | -112.1 | 162.4 | 0 | 0 | 0 | 112 | ||||
| 648 | T | 23.6 | Very low | 26 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -54.2 | 155.7 | -172.2 | -37.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 649 | E | 23.8 | Very low | 25.9 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -56 | 135 | 163.9 | -60.5 | 170.2 | 121.2 | 0 | 0 | 111.7 | ||||
| 650 | V | 24.6 | Very low | 25.8 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -138.9 | 125 | 163.6 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 651 | Q | 25.2 | Very low | 26 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -73.9 | 130.4 | 176.6 | -59.6 | 163.1 | -86.5 | 0 | 0 | 110.8 | ||||
| 652 | M | 24.1 | Very low | 25.8 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | trans | -138.6 | 125 | 152.2 | -78.2 | -94.6 | 64.2 | 0 | 0 | 107.5 | ||||
| 653 | T | 26.1 | Very low | 26.2 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | -93.1 | 148 | 172.1 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 654 | D | 26.3 | Very low | 26.2 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | 168.8 | 153 | 116.2 | -80.8 | -7.2 | 0 | 0 | 0 | 111.8 | |||||
| 655 | D | 27.7 | Very low | 26.5 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 63.8 | 130.4 | 171 | -76 | -32.7 | 0 | 0 | 0 | 121.7 | ||
| 656 | L | 28.4 | Very low | 26.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 49% | 0.492 | 71% | 0.712 | S | S | . | * | S | Bend | trans | 70.9 | 49.7 | 166.5 | -57.5 | -179.8 | 0 | 0 | 0 | 118.9 | L248 | L248-L656 HydrophobicContact CD2-CD1 4.32Å; L248-L656 HydrophobicContact CD2-CD2 3.72Å |
| 657 | D | 27.8 | Very low | 26.9 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -137 | 180 | 165.1 | -139 | -32.1 | 0 | 0 | 0 | 113.6 | R247 | R247-D657 PolarHBondContact NH1-O 3.21Š| ||
| 658 | I | 29.8 | Very low | 27 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 52% | 0.518 | 71% | 0.708 | S | S | . | * | trans | 65.8 | 75.6 | 172.2 | -37.6 | 178 | 0 | 0 | 0 | 116.1 | R247 E660 | R247-I658 PolarHBondContact NH1-O 2.99Å; R247-I658 PolarHBondContact NH2-O 2.92Å; I658-E660 HydrophobicContact CG2-CB 3.85Å; I658-E660 HydrophobicContact CG2-CG 3.89Å; I658-E660 PolarHBondContact O-N 3.41Å | ||
| 659 | M | 29.4 | Very low | 27.3 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 53% | 0.527 | 71% | 0.709 | S | S | . | * | trans | -77.1 | 106.3 | 149.7 | -161.9 | -169.8 | -57.4 | 0 | 0 | 107.3 | H243 I661 | H243-M659 HydrophobicContact CB-CE 4.08Å; M659-I661 PolarHBondContact O-N 2.95Å | ||
| 660 | E | 26.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 66% | 0.659 | 70% | 0.702 | S | S | * | * | trans | -81 | 70.9 | -155.8 | -157.5 | 173.1 | -102.3 | 0 | 0 | 114.5 | I658 N662 | I658-E660 HydrophobicContact CG2-CB 3.85Å; I658-E660 HydrophobicContact CG2-CG 3.89Å; I658-E660 PolarHBondContact O-N 3.41Å; E660-N662 PolarHBondContact O-N 3.38Å | ||
| 661 | I | 30.7 | Very low | 27.5 | Very low | 54 Ų | 54 | 132.4 Ų | 132.4 | 28% | 0.277 | 70% | 0.702 | S | S | . | * | trans | -88.7 | 94.2 | 162.3 | -57.4 | -179.3 | 0 | 0 | 0 | 107.6 | I427 T430 M659 I663 | I427-I661 HydrophobicContact CD1-CD1 3.92Å; T430-I661 HydrophobicContact CG2-CG2 4.42Å; M659-I661 PolarHBondContact O-N 2.95Å; I661-I663 HydrophobicContact CG2-CD1 4.21Å; I661-I663 HydrophobicContact CG2-CG1 4.28Å; I661-I663 PolarHBondContact O-N 2.64Å | ||
| 662 | N | 25.4 | Very low | 27.5 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | -56.7 | 105.9 | -177.8 | -88.6 | -62.8 | 0 | 0 | 0 | 112.7 | E660 | E660-N662 PolarHBondContact O-N 3.38Š| ||
| 663 | I | 30 | Very low | 27.6 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 38% | 0.379 | 69% | 0.686 | S | S | . | * | trans | -137.8 | 115.5 | 171.9 | -56.4 | 174 | 0 | 0 | 0 | 108.5 | K426 I661 E665 | K426-I663 HydrophobicContact CD-CD1 3.56Å; K426-I663 HydrophobicContact CD-CG1 3.84Å; I661-I663 HydrophobicContact CG2-CD1 4.21Å; I661-I663 HydrophobicContact CG2-CG1 4.28Å; I661-I663 PolarHBondContact O-N 2.64Å; I663-E665 PolarHBondContact O-N 3.4Å | ||
| 664 | L | 25 | Very low | 27.6 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 88% | 0.88 | 68% | 0.678 | S | S | * | * | trans | -73.2 | 119.5 | 165.8 | -81.5 | 74.7 | 0 | 0 | 0 | 109.3 | ||||
| 665 | E | 30.4 | Very low | 27.7 | Very low | 176 Ų | 176 | 125.4 Ų | 125.4 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | -144.5 | 61.3 | 161.7 | -143.9 | 164.1 | -141 | 0 | 0 | 111.7 | I663 K667 | I663-E665 PolarHBondContact O-N 3.4Å; E665-K667 PolarHBondContact O-N 3.03Å | ||
| 666 | N | 26.4 | Very low | 27.8 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 88% | 0.882 | 67% | 0.668 | S | S | * | * | trans | -71.5 | 93 | 176.7 | -98.8 | -12.6 | 0 | 0 | 0 | 112 | ||||
| 667 | K | 30.3 | Very low | 27.7 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | trans | -172 | 131 | 145.4 | -107.8 | 159.5 | -172.5 | 176.2 | 0 | 112.2 | E665 | E665-K667 PolarHBondContact O-N 3.03Š| ||
| 668 | P | 26 | Very low | 27.8 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -71.6 | 135.5 | 167 | 30.9 | -32.9 | 0 | 0 | 0 | 110 | ||||
| 669 | A | 28.6 | Very low | 27.7 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 74% | 0.744 | 67% | 0.67 | S | S | * | * | trans | -124.1 | 130.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | T671 | A669-T671 PolarHBondContact O-N 3.04Š| ||
| 670 | L | 26.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -64.5 | 133.3 | -172.4 | -73.5 | 87.4 | 0 | 0 | 0 | 111.9 | R672 D1503 | L670-R672 PolarHBondContact O-N 2.98Å; L670-D1503 WeakPolarHBondContact CD2-OXT 3.48Å | ||
| 671 | T | 26.2 | Very low | 27.9 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | -77.3 | 80.4 | 178.2 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | A669 | A669-T671 PolarHBondContact O-N 3.04Š| ||
| 672 | R | 24.9 | Very low | 27.7 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 53% | 0.532 | 71% | 0.709 | S | S | . | * | trans | -81.3 | 116.8 | 160.6 | -84.9 | -174.3 | 172.5 | 170.9 | -4 | 110.4 | L670 A674 L1501 D1503 | L670-R672 PolarHBondContact O-N 2.98Å; R672-A674 PolarHBondContact O-N 3.19Å; R672-L1501 PolarHBondContact NH1-O 2.96Å; R672-L1501 PolarHBondContact NH2-O 2.86Å; R672-D1503 PolarHBondContact NE-O 3.29Å; R672-D1503 VanDerWaalsContact NH2-C 3.33Å; R672-D1503 PolarHBondContact NH2-O 2.89Å | ||
| 673 | T | 25.7 | Very low | 27.7 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -70.6 | 80.9 | 178.8 | 33.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 674 | A | 26.7 | Very low | 27.7 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 50% | 0.496 | 74% | 0.737 | S | S | . | * | trans | -82.9 | 120.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | R672 W676 | R672-A674 PolarHBondContact O-N 3.19Å; A674-W676 HydrophobicContact CB-CZ2 4.02Å; A674-W676 PolarHBondContact O-NE1 3.37Å | ||
| 675 | T | 27.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -79.8 | 131.6 | 173 | 42.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 676 | W | 30.2 | Very low | 27.7 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | trans | -116.4 | 123.1 | -175 | -64.1 | 100.9 | 0 | 0 | 0 | 111.9 | R412 A674 | R412-W676 HydrophobicContact CB-CH2 4.45Å; R412-W676 HydrophobicContact CB-CZ3 3.9Å; A674-W676 HydrophobicContact CB-CZ2 4.02Å; A674-W676 PolarHBondContact O-NE1 3.37Å | ||
| 677 | S | 26.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 143.4 | 167.6 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 678 | P | 30 | Very low | 27.6 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 38% | 0.377 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 156.7 | 175.6 | 30.2 | -35.5 | 0 | 0 | 0 | 111.8 | ||
| 679 | P | 28.5 | Very low | 27.7 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 157.5 | 173.1 | 31.4 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 680 | P | 27.4 | Very low | 27.7 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 139.4 | 172.3 | -13.5 | 28.6 | 0 | 0 | 0 | 111 | ||
| 681 | I | 32.2 | Very low | 27.9 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 117.3 | 171.1 | -62.1 | 177.1 | 0 | 0 | 0 | 108.2 | S683 | I681-S683 PolarHBondContact O-N 3.11Š|
| 682 | E | 27.4 | Very low | 28 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.2 | 174.6 | -64.5 | -177.4 | 127.7 | 0 | 0 | 110.6 | ||
| 683 | S | 24.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -104.1 | 116.5 | -179.4 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | I681 | I681-S683 PolarHBondContact O-N 3.11Š| ||
| 684 | R | 30.1 | Very low | 28.5 | Very low | 227 Ų | 227 | 141.8 Ų | 141.8 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -122.9 | 112.8 | 176.2 | -81.1 | -169.7 | 172.3 | -154.5 | -1.4 | 113 | ||||
| 685 | R | 29.4 | Very low | 28.9 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | 50.2 | 106.5 | 146.4 | -56.1 | -178.2 | -179.8 | -172.1 | -3.4 | 117 | ||||
| 686 | V | 26.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | 79.6 | 131.5 | 62.7 | 174.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 687 | I | 27.9 | Very low | 29.8 | Very low | 155 Ų | 155 | 141 Ų | 141 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | trans | 150.8 | 106.2 | 152.4 | -81.5 | 160.9 | 0 | 0 | 0 | 107.3 | ||||
| 688 | K | 26.4 | Very low | 30.7 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | 55.2 | 140 | 87.1 | -70 | -178.7 | 176.2 | 177.9 | 0 | 113.8 | |||||
| 689 | K | 27.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | cis | -149.2 | 178.2 | 3.1 | -149.8 | -164.3 | 176.3 | -166.7 | 0 | 106.1 | ||||
| 690 | S | 29.3 | Very low | 33 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | cis | -150.4 | 170.6 | 7.7 | -20.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 691 | V | 31.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 66% | 0.655 | 72% | 0.724 | S | S | * | * | cis | 78.7 | 113 | 47.6 | -171.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 692 | D | 29.4 | Very low | 34.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | trans | -152.4 | 162.9 | 137.8 | -96.9 | -35.3 | 0 | 0 | 0 | 108.6 | ||||
| 693 | H | 31.5 | Very low | 35.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 69% | 0.694 | S | S | * | * | trans | -136 | 150 | -159.3 | -114.4 | -69 | 0 | 0 | 0 | 114.9 | ||||
| 694 | E | 29.3 | Very low | 37 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 67% | 0.674 | S | S | * | * | trans | -134.4 | 164.1 | 145.8 | -89.2 | -140.3 | 126.3 | 0 | 0 | 109.7 | ||||
| 695 | P | 34.5 | Very low | 37.8 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 137.3 | -168.7 | 36.4 | -32.4 | 0 | 0 | 0 | 115.2 | ||
| 696 | D | 33.2 | Very low | 38.5 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 68% | 0.679 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 137.7 | 173.7 | -84.2 | -67.4 | 0 | 0 | 0 | 113.7 | ||
| 697 | T | 44.1 | Very low | 39.8 | Very low | 94 Ų | 94 | 110.8 Ų | 110.8 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 149.9 | 173.5 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | D699 S700 | T697-D699 PolarHBondContact O-N 2.9Å; T697-S700 WeakPolarHBondContact O-CB 3.48Å; T697-S700 PolarHBondContact O-N 3.19Å |
| 698 | P | 44.5 | Very low | 40.8 | Very low | 92 Ų | 92 | 108.8 Ų | 108.8 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -12.7 | -173.2 | 25.7 | -36.1 | 0 | 0 | 0 | 114.7 | F703 | P698-F703 WeakPolarHBondContact O-CD1 3.44Š|
| 699 | D | 50 | Low | 41.8 | Very low | 120 Ų | 120 | 100.3 Ų | 100.3 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7.6 | 175.3 | -95.5 | -57.9 | 0 | 0 | 0 | 114.5 | T697 K704 | T697-D699 PolarHBondContact O-N 2.9Å; D699-K704 WeakPolarHBondContact O-CE 3.17Å; D699-K704 PolarHBondContact O-NZ 2.77Å; D699-K704 IonicContact OD1-NZ 2.83Å; D699-K704 PolarHBondContact OD1-NZ 3.02Å |
| 700 | S | 56 | Low | 42.9 | Very low | 22 Ų | 22 | 96.1 Ų | 96.1 | 15% | 0.154 | 51% | 0.509 | C | S | . | . | trans | -58.6 | 145.8 | -176.9 | 99.6 | 0 | 0 | 0 | 0 | 112.2 | T697 E702 F703 K704 | T697-S700 WeakPolarHBondContact O-CB 3.48Å; T697-S700 PolarHBondContact O-N 3.19Å; S700-E702 PolarHBondContact O-N 2.85Å; S700-E702 PolarHBondContact OG-N 2.76Å; S700-F703 PolarHBondContact O-N 3.06Å; S700-F703 PolarHBondContact OG-N 3.45Å; S700-F703 VanDerWaalsContact OG-N 3.08Å; S700-K704 PolarHBondContact O-N 2.98Å | ||
| 701 | L | 42.9 | Very low | 44 | Very low | 135 Ų | 135 | 99.2 Ų | 99.2 | 71% | 0.707 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -33.8 | 177.8 | -170.7 | 71.4 | 0 | 0 | 0 | 110.6 | K704 I705 | L701-K704 PolarHBondContact O-N 3.41Å; L701-I705 HydrophobicContact CD2-CD1 4.34Å; L701-I705 HydrophobicContact CG-CD1 3.97Å; L701-I705 WeakPolarHBondContact O-CB 3.38Å; L701-I705 VanDerWaalsContact O-CG1 3.26Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 2.74Å |
| 702 | E | 42.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 179.5 | -67.6 | -179.4 | 108.8 | 0 | 0 | 111.9 | S700 K704 I705 D706 | S700-E702 PolarHBondContact O-N 2.85Å; S700-E702 PolarHBondContact OG-N 2.76Å; E702-K704 VanDerWaalsContact C-N 3.31Å; E702-K704 PolarHBondContact O-N 3.29Å; E702-I705 PolarHBondContact O-N 3.07Å; E702-D706 WeakPolarHBondContact O-CB 3.43Å; E702-D706 PolarHBondContact O-N 2.93Å |
| 703 | F | 55.3 | Low | 45.7 | Very low | 97 Ų | 97 | 93.7 Ų | 93.7 | 43% | 0.425 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 173.6 | -173.5 | -97 | 0 | 0 | 0 | 112 | P698 S700 D706 S707 | P698-F703 WeakPolarHBondContact O-CD1 3.44Å; S700-F703 PolarHBondContact O-N 3.06Å; S700-F703 PolarHBondContact OG-N 3.45Å; S700-F703 VanDerWaalsContact OG-N 3.08Å; F703-D706 PolarHBondContact O-N 3Å; F703-S707 WeakPolarHBondContact O-CB 3.4Å; F703-S707 PolarHBondContact O-N 2.63Å |
| 704 | K | 55.2 | Low | 46.5 | Very low | 93 Ų | 93 | 88.8 Ų | 88.8 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 176.3 | -72 | 162.8 | -177.5 | 161.9 | 0 | 112 | D699 S700 L701 E702 L708 | D699-K704 WeakPolarHBondContact O-CE 3.17Å; D699-K704 PolarHBondContact O-NZ 2.77Å; D699-K704 IonicContact OD1-NZ 2.83Å; D699-K704 PolarHBondContact OD1-NZ 3.02Å; S700-K704 PolarHBondContact O-N 2.98Å; L701-K704 PolarHBondContact O-N 3.41Å; E702-K704 VanDerWaalsContact C-N 3.31Å; E702-K704 PolarHBondContact O-N 3.29Å; K704-L708 WeakPolarHBondContact O-CG 3.18Å; K704-L708 PolarHBondContact O-N 3.01Å; K704-L708 VanDerWaalsContact O-N 3.13Å |
| 705 | I | 46 | Very low | 47.6 | Very low | 37 Ų | 37 | 86.9 Ų | 86.9 | 19% | 0.19 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 171.9 | -79.4 | 166.9 | 0 | 0 | 0 | 111.3 | L701 E702 S707 L708 R709 L824 | L701-I705 HydrophobicContact CD2-CD1 4.34Å; L701-I705 HydrophobicContact CG-CD1 3.97Å; L701-I705 WeakPolarHBondContact O-CB 3.38Å; L701-I705 VanDerWaalsContact O-CG1 3.26Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 2.74Å; E702-I705 PolarHBondContact O-N 3.07Å; I705-S707 VanDerWaalsContact C-N 3.28Å; I705-S707 PolarHBondContact O-N 3.49Å; I705-L708 PolarHBondContact O-N 3.03Å; I705-L708 VanDerWaalsContact O-N 3.16Å; I705-R709 VanDerWaalsContact O-CB 3.25Å; I705-R709 WeakPolarHBondContact O-CB 3.25Å; I705-R709 PolarHBondContact O-N 2.95Å; I705-L824 HydrophobicContact CB-CD2 4.39Å; I705-L824 HydrophobicContact CD1-CD2 3.74Å; I705-L824 HydrophobicContact CG1-CD2 3.77Å; I705-L824 HydrophobicContact CG2-CD2 3.76Å |
| 706 | D | 45.8 | Very low | 48.3 | Very low | 22 Ų | 22 | 86.2 Ų | 86.2 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.2 | -33.3 | -178.3 | -121.2 | 45.5 | 0 | 0 | 0 | 111.4 | E702 F703 R709 R710 | E702-D706 WeakPolarHBondContact O-CB 3.43Å; E702-D706 PolarHBondContact O-N 2.93Å; F703-D706 PolarHBondContact O-N 3Å; D706-R709 PolarHBondContact O-N 2.83Å; D706-R709 WeakPolarHBondContact OD1-CD 3.23Å; D706-R709 IonicContact OD1-CZ 2.82Å; D706-R709 IonicContact OD1-NE 3.29Å; D706-R709 IonicContact OD1-NH1 3.03Å; D706-R709 PolarHBondContact OD1-NH1 3.08Å; D706-R710 WeakPolarHBondContact O-CG 3.25Å; D706-R710 PolarHBondContact O-N 3.37Å; D706-R710 IonicContact OD2-NH2 2.74Å; D706-R710 PolarHBondContact OD2-NH2 3.42Å |
| 707 | S | 52.1 | Low | 49.1 | Very low | 24 Ų | 24 | 81.7 Ų | 81.7 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 171.6 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | F703 I705 R711 R757 | F703-S707 WeakPolarHBondContact O-CB 3.4Å; F703-S707 PolarHBondContact O-N 2.63Å; I705-S707 VanDerWaalsContact C-N 3.28Å; I705-S707 PolarHBondContact O-N 3.49Å; S707-R711 WeakPolarHBondContact O-CG 3.17Å; S707-R711 PolarHBondContact O-N 3.23Å; S707-R757 PolarHBondContact OG-NH1 3.47Å |
| 708 | L | 50.3 | Low | 49.8 | Very low | 112 Ų | 112 | 79 Ų | 79 | 59% | 0.586 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.5 | -38.2 | 175.2 | -75.5 | 167.8 | 0 | 0 | 0 | 112 | K704 I705 R711 F712 | K704-L708 WeakPolarHBondContact O-CG 3.18Å; K704-L708 PolarHBondContact O-N 3.01Å; K704-L708 VanDerWaalsContact O-N 3.13Å; I705-L708 PolarHBondContact O-N 3.03Å; I705-L708 VanDerWaalsContact O-N 3.16Å; L708-R711 PolarHBondContact O-N 3.3Å; L708-F712 PolarHBondContact O-N 2.72Å |
| 709 | R | 47.9 | Very low | 50.1 | Low | 19 Ų | 19 | 80.2 Ų | 80.2 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 177.4 | 177.1 | 178.8 | -71.9 | 159.9 | -11.3 | 111.5 | I705 D706 R711 F712 Q713 L824 C827 C828 | I705-R709 VanDerWaalsContact O-CB 3.25Å; I705-R709 WeakPolarHBondContact O-CB 3.25Å; I705-R709 PolarHBondContact O-N 2.95Å; D706-R709 PolarHBondContact O-N 2.83Å; D706-R709 WeakPolarHBondContact OD1-CD 3.23Å; D706-R709 IonicContact OD1-CZ 2.82Å; D706-R709 IonicContact OD1-NE 3.29Å; D706-R709 IonicContact OD1-NH1 3.03Å; D706-R709 PolarHBondContact OD1-NH1 3.08Å; R709-R711 PolarHBondContact O-N 2.89Å; R709-F712 PolarHBondContact O-N 3.25Å; R709-Q713 WeakPolarHBondContact O-CG 3.28Å; R709-Q713 PolarHBondContact O-N 3.28Å; R709-Q713 PolarHBondContact O-OE1 3.07Å; R709-L824 PolarHBondContact NH2-O 3.23Å; R709-C827 PolarHBondContact NH2-SG 3Å; R709-C828 VanDerWaalsContact CD-SG 3.6Å; R709-C828 PolarHBondContact NE-SG 2.97Å; R709-C828 VanDerWaalsContact NH2-N 3.16Å |
| 710 | R | 48.9 | Very low | 50.1 | Low | 97 Ų | 97 | 81 Ų | 81 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 173.9 | -69.8 | 176.3 | -153.2 | -139.4 | -1.8 | 111.4 | D706 F712 Q713 D714 N835 | D706-R710 WeakPolarHBondContact O-CG 3.25Å; D706-R710 PolarHBondContact O-N 3.37Å; D706-R710 IonicContact OD2-NH2 2.74Å; D706-R710 PolarHBondContact OD2-NH2 3.42Å; R710-F712 VanDerWaalsContact C-N 3.34Å; R710-F712 PolarHBondContact O-N 3.25Å; R710-Q713 PolarHBondContact O-N 3.08Å; R710-D714 WeakPolarHBondContact O-CB 3.47Å; R710-D714 PolarHBondContact O-N 2.88Å; R710-N835 PolarHBondContact NH2-ND2 2.97Å; R710-N835 PolarHBondContact NH2-OD1 3.17Å |
| 711 | R | 53.9 | Low | 49.9 | Very low | 157 Ų | 157 | 82 Ų | 82 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.2 | -39.3 | 177.3 | -78 | -178.9 | 171.8 | -177.4 | -3.8 | 113.5 | S707 L708 R709 Y715 | S707-R711 WeakPolarHBondContact O-CG 3.17Å; S707-R711 PolarHBondContact O-N 3.23Å; L708-R711 PolarHBondContact O-N 3.3Å; R709-R711 PolarHBondContact O-N 2.89Å; R711-Y715 VanDerWaalsContact O-CB 3.31Å; R711-Y715 WeakPolarHBondContact O-CB 3.04Å; R711-Y715 PolarHBondContact O-N 2.86Å |
| 712 | F | 47.9 | Very low | 50.4 | Low | 115 Ų | 115 | 84.4 Ų | 84.4 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 178.8 | -174.3 | -101.3 | 0 | 0 | 0 | 112.2 | L708 R709 R710 Y715 Q716 | L708-F712 PolarHBondContact O-N 2.72Å; R709-F712 PolarHBondContact O-N 3.25Å; R710-F712 VanDerWaalsContact C-N 3.34Å; R710-F712 PolarHBondContact O-N 3.25Å; F712-Y715 PolarHBondContact O-N 2.73Å; F712-Q716 HydrophobicContact CD1-CG 4.14Å; F712-Q716 VanDerWaalsContact CE1-CD 3.5Å; F712-Q716 HydrophobicContact CE1-CG 3.73Å; F712-Q716 VanDerWaalsContact CE1-OE1 3.22Å; F712-Q716 HydrophobicContact CZ-CG 4.01Å; F712-Q716 WeakPolarHBondContact O-CG 3.27Å; F712-Q716 PolarHBondContact O-N 3.3Å |
| 713 | Q | 46.5 | Very low | 51.2 | Low | 47 Ų | 47 | 79.9 Ų | 79.9 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 176.9 | -67.5 | 177.7 | -80.6 | 0 | 0 | 111.4 | R709 R710 Y715 Q716 I717 Y832 | R709-Q713 WeakPolarHBondContact O-CG 3.28Å; R709-Q713 PolarHBondContact O-N 3.28Å; R709-Q713 PolarHBondContact O-OE1 3.07Å; R710-Q713 PolarHBondContact O-N 3.08Å; Q713-Y715 VanDerWaalsContact C-N 3.31Å; Q713-Y715 PolarHBondContact O-N 2.83Å; Q713-Q716 PolarHBondContact O-N 3.22Å; Q713-Q716 VanDerWaalsContact O-N 3.07Å; Q713-I717 VanDerWaalsContact O-CD1 3.24Å; Q713-I717 WeakPolarHBondContact O-CD1 3.4Å; Q713-I717 VanDerWaalsContact O-CG1 3.24Å; Q713-I717 WeakPolarHBondContact O-CG1 3.43Å; Q713-I717 PolarHBondContact O-N 3Å; Q713-Y832 VanDerWaalsContact NE2-CZ 3.35Å; Q713-Y832 PolarHBondContact NE2-OH 3.15Å |
| 714 | D | 49.5 | Very low | 51.4 | Low | 51 Ų | 51 | 83.3 Ų | 83.3 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -50.7 | -50.7 | 170.4 | 179.1 | 79.2 | 0 | 0 | 0 | 111 | R710 Q716 I717 R718 F883 | R710-D714 WeakPolarHBondContact O-CB 3.47Å; R710-D714 PolarHBondContact O-N 2.88Å; D714-Q716 PolarHBondContact O-N 3.43Å; D714-I717 PolarHBondContact O-N 3.16Å; D714-R718 VanDerWaalsContact CG-NE 3.26Å; D714-R718 WeakPolarHBondContact O-CG 3.38Å; D714-R718 PolarHBondContact O-N 2.7Å; D714-R718 IonicContact OD1-CZ 3.96Å; D714-R718 IonicContact OD1-NE 3.8Å; D714-R718 PolarHBondContact OD1-NE 2.74Å; D714-R718 VanDerWaalsContact OD1-NE 3.11Å; D714-R718 IonicContact OD1-NH2 3.67Å; D714-R718 PolarHBondContact OD1-NH2 3.48Å; D714-R718 IonicContact OD2-CZ 3.5Å; D714-R718 IonicContact OD2-NE 3.9Å; D714-R718 PolarHBondContact OD2-NE 3.19Å; D714-R718 IonicContact OD2-NH2 2.89Å; D714-F883 VanDerWaalsContact OD1-CE1 3.32Å; D714-F883 WeakPolarHBondContact OD1-CE1 3.43Å |
| 715 | Y | 51.7 | Low | 51.8 | Low | 139 Ų | 139 | 82.9 Ų | 82.9 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 173.6 | -172.3 | -86.4 | 0 | 0 | 0 | 113.1 | R711 F712 Q713 I717 R718 F719 | R711-Y715 VanDerWaalsContact O-CB 3.31Å; R711-Y715 WeakPolarHBondContact O-CB 3.04Å; R711-Y715 PolarHBondContact O-N 2.86Å; F712-Y715 PolarHBondContact O-N 2.73Å; Q713-Y715 VanDerWaalsContact C-N 3.31Å; Q713-Y715 PolarHBondContact O-N 2.83Å; Y715-I717 VanDerWaalsContact C-N 3.32Å; Y715-I717 PolarHBondContact O-N 2.79Å; Y715-R718 PolarHBondContact O-N 2.8Å; Y715-F719 HydrophobicContact CD1-CB 4.36Å; Y715-F719 HydrophobicContact CE1-CB 4.1Å; Y715-F719 AromaticContact CE1-CD2 3.86Å; Y715-F719 HydrophobicContact CE1-CD2 3.86Å; Y715-F719 HydrophobicContact CE1-CG 4.15Å; Y715-F719 AromaticContact CZ-CD2 3.83Å; Y715-F719 WeakPolarHBondContact O-CB 3.35Å; Y715-F719 PolarHBondContact O-N 3.01Å; Y715-F719 WeakPolarHBondContact OH-CD2 3.48Å |
| 716 | Q | 49.4 | Very low | 53.1 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177 | -78.1 | -161.3 | -86 | 0 | 0 | 112.2 | F712 Q713 D714 H720 | F712-Q716 HydrophobicContact CD1-CG 4.14Å; F712-Q716 VanDerWaalsContact CE1-CD 3.5Å; F712-Q716 HydrophobicContact CE1-CG 3.73Å; F712-Q716 VanDerWaalsContact CE1-OE1 3.22Å; F712-Q716 HydrophobicContact CZ-CG 4.01Å; F712-Q716 WeakPolarHBondContact O-CG 3.27Å; F712-Q716 PolarHBondContact O-N 3.3Å; Q713-Q716 PolarHBondContact O-N 3.22Å; Q713-Q716 VanDerWaalsContact O-N 3.07Å; D714-Q716 PolarHBondContact O-N 3.43Å; Q716-H720 WeakPolarHBondContact O-CB 3.32Å; Q716-H720 PolarHBondContact O-N 3.4Å |
| 717 | I | 50.6 | Low | 54.7 | Low | 32 Ų | 32 | 86.7 Ų | 86.7 | 16% | 0.164 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.6 | -50.8 | 179 | -57.1 | 146.5 | 0 | 0 | 0 | 109.4 | Q713 D714 Y715 F719 H720 Y721 F883 A887 | Q713-I717 VanDerWaalsContact O-CD1 3.24Å; Q713-I717 WeakPolarHBondContact O-CD1 3.4Å; Q713-I717 VanDerWaalsContact O-CG1 3.24Å; Q713-I717 WeakPolarHBondContact O-CG1 3.43Å; Q713-I717 PolarHBondContact O-N 3Å; D714-I717 PolarHBondContact O-N 3.16Å; Y715-I717 VanDerWaalsContact C-N 3.32Å; Y715-I717 PolarHBondContact O-N 2.79Å; I717-F719 VanDerWaalsContact C-N 3.28Å; I717-F719 PolarHBondContact O-N 3.11Å; I717-H720 PolarHBondContact O-N 2.61Å; I717-Y721 HydrophobicContact CG2-CD2 3.99Å; I717-Y721 HydrophobicContact CG2-CE2 4.46Å; I717-Y721 VanDerWaalsContact O-CD2 3.3Å; I717-Y721 WeakPolarHBondContact O-CD2 3.49Å; I717-Y721 PolarHBondContact O-N 3.27Å; I717-Y721 VanDerWaalsContact O-N 3.08Å; I717-F883 HydrophobicContact CB-CE1 4.07Å; I717-F883 HydrophobicContact CB-CZ 3.65Å; I717-F883 HydrophobicContact CD1-CE1 4.22Å; I717-F883 HydrophobicContact CG2-CE1 4.08Å; I717-F883 HydrophobicContact CG2-CE2 3.92Å; I717-F883 HydrophobicContact CG2-CZ 3.37Å; I717-A887 HydrophobicContact CD1-CB 3.45Å; I717-A887 VanDerWaalsContact CD1-CB 3.45Å; I717-A887 HydrophobicContact CG1-CB 4.08Å; I717-A887 HydrophobicContact CG2-CB 4.1Å |
| 718 | R | 58.3 | Low | 56.2 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56 | -43.3 | 177.6 | -68.9 | -178 | -158.9 | -90.5 | -3 | 112.1 | D714 Y715 F722 V723 E880 F883 | D714-R718 VanDerWaalsContact CG-NE 3.26Å; D714-R718 WeakPolarHBondContact O-CG 3.38Å; D714-R718 PolarHBondContact O-N 2.7Å; D714-R718 IonicContact OD1-CZ 3.96Å; D714-R718 IonicContact OD1-NE 3.8Å; D714-R718 PolarHBondContact OD1-NE 2.74Å; D714-R718 VanDerWaalsContact OD1-NE 3.11Å; D714-R718 IonicContact OD1-NH2 3.67Å; D714-R718 PolarHBondContact OD1-NH2 3.48Å; D714-R718 IonicContact OD2-CZ 3.5Å; D714-R718 IonicContact OD2-NE 3.9Å; D714-R718 PolarHBondContact OD2-NE 3.19Å; D714-R718 IonicContact OD2-NH2 2.89Å; Y715-R718 PolarHBondContact O-N 2.8Å; R718-F722 CarbonylContact O-C 3.57Å; R718-F722 VanDerWaalsContact O-CA 3.25Å; R718-F722 WeakPolarHBondContact O-CA 3.35Å; R718-F722 PolarHBondContact O-N 3.31Å; R718-V723 VanDerWaalsContact CB-O 3.3Å; R718-V723 WeakPolarHBondContact CB-O 3.28Å; R718-V723 WeakPolarHBondContact CG-O 3.31Å; R718-V723 PolarHBondContact O-N 3.43Å; R718-E880 IonicContact CZ-OE1 3.96Å; R718-E880 VanDerWaalsContact CZ-OE1 3.29Å; R718-E880 IonicContact CZ-OE2 3.38Å; R718-E880 VanDerWaalsContact NH1-CD 3.29Å; R718-E880 IonicContact NH1-OE1 3.44Å; R718-E880 PolarHBondContact NH1-OE1 3.44Å; R718-E880 IonicContact NH1-OE2 2.66Å; R718-E880 PolarHBondContact NH1-OE2 3.28Å; R718-E880 IonicContact NH2-OE1 2.68Å; R718-E880 PolarHBondContact NH2-OE1 2.9Å; R718-E880 IonicContact NH2-OE2 2.75Å; R718-F883 HydrophobicContact CG-CE1 4.14Å; R718-F883 HydrophobicContact CG-CE2 4.19Å; R718-F883 HydrophobicContact CG-CZ 3.55Å |
| 719 | F | 50.9 | Low | 57.8 | Low | 117 Ų | 117 | 82.9 Ų | 82.9 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.8 | -32.9 | -179.9 | -164.6 | -84.7 | 0 | 0 | 0 | 113.6 | Y715 I717 | Y715-F719 HydrophobicContact CD1-CB 4.36Å; Y715-F719 HydrophobicContact CE1-CB 4.1Å; Y715-F719 AromaticContact CE1-CD2 3.86Å; Y715-F719 HydrophobicContact CE1-CD2 3.86Å; Y715-F719 HydrophobicContact CE1-CG 4.15Å; Y715-F719 AromaticContact CZ-CD2 3.83Å; Y715-F719 WeakPolarHBondContact O-CB 3.35Å; Y715-F719 PolarHBondContact O-N 3.01Å; Y715-F719 WeakPolarHBondContact OH-CD2 3.48Å; I717-F719 VanDerWaalsContact C-N 3.28Å; I717-F719 PolarHBondContact O-N 3.11Å |
| 720 | H | 49.1 | Very low | 59.6 | Low | 137 Ų | 137 | 84.3 Ų | 84.3 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -85 | -26.5 | -175.9 | -154.3 | -24.5 | 0 | 0 | 0 | 113.5 | Q716 I717 | Q716-H720 WeakPolarHBondContact O-CB 3.32Å; Q716-H720 PolarHBondContact O-N 3.4Å; I717-H720 PolarHBondContact O-N 2.61Å |
| 721 | Y | 53.4 | Low | 61.4 | Low | 42 Ų | 42 | 80.7 Ų | 80.7 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 12.6 | 178.9 | -53.9 | -89.5 | 0 | 0 | 0 | 113 | I717 V723 R943 L987 D991 | I717-Y721 HydrophobicContact CG2-CD2 3.99Å; I717-Y721 HydrophobicContact CG2-CE2 4.46Å; I717-Y721 VanDerWaalsContact O-CD2 3.3Å; I717-Y721 WeakPolarHBondContact O-CD2 3.49Å; I717-Y721 PolarHBondContact O-N 3.27Å; I717-Y721 VanDerWaalsContact O-N 3.08Å; Y721-V723 PolarHBondContact O-N 2.71Å; Y721-R943 PolarHBondContact OH-NH2 2.68Å; Y721-R943 VanDerWaalsContact OH-NH2 3.09Å; Y721-L987 HydrophobicContact CD1-CD2 4.34Å; Y721-L987 HydrophobicContact CE1-CD2 4.39Å; Y721-D991 PolarHBondContact OH-OD1 2.97Å |
| 722 | F | 53 | Low | 63 | Low | 187 Ų | 187 | 73.3 Ų | 73.3 | 82% | 0.82 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 33.2 | 180 | -67.4 | -90.7 | 0 | 0 | 0 | 115.2 | R718 E724 | R718-F722 CarbonylContact O-C 3.57Å; R718-F722 VanDerWaalsContact O-CA 3.25Å; R718-F722 WeakPolarHBondContact O-CA 3.35Å; R718-F722 PolarHBondContact O-N 3.31Å; F722-E724 PolarHBondContact O-N 3.02Å |
| 723 | V | 59.1 | Low | 64.9 | Low | 17 Ų | 17 | 75 Ų | 75 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | trans | -82.1 | 103.4 | 179.2 | -173 | 0 | 0 | 0 | 0 | 109.8 | R718 Y721 F883 | R718-V723 VanDerWaalsContact CB-O 3.3Å; R718-V723 WeakPolarHBondContact CB-O 3.28Å; R718-V723 WeakPolarHBondContact CG-O 3.31Å; R718-V723 PolarHBondContact O-N 3.43Å; Y721-V723 PolarHBondContact O-N 2.71Å; V723-F883 HydrophobicContact CB-CE2 4Å; V723-F883 HydrophobicContact CG1-CD2 4.24Å; V723-F883 HydrophobicContact CG1-CE2 3.85Å; V723-F883 HydrophobicContact CG2-CE2 4.21Å | ||
| 724 | E | 59.8 | Low | 66.8 | Low | 168 Ų | 168 | 77.3 Ų | 77.3 | 79% | 0.785 | 37% | 0.374 | S | S | * | . | trans | -62.4 | 140.7 | 173 | -61.3 | -165.7 | 146.6 | 0 | 0 | 111.2 | F722 | F722-E724 PolarHBondContact O-N 3.02Š| ||
| 725 | S | 64.7 | Low | 68.5 | Low | 84 Ų | 84 | 75.1 Ų | 75.1 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | trans | -82.1 | 124.7 | 175.9 | 59 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 726 | V | 72 | Confident | 70.1 | Confident | 55 Ų | 55 | 74 Ų | 74 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | trans | -111.5 | 138.5 | -175.7 | -139.4 | 0 | 0 | 0 | 0 | 111.4 | V728 L731 A876 E880 | V726-V728 PolarHBondContact O-N 3.06Å; V726-L731 HydrophobicContact CB-CD1 4.1Å; V726-L731 HydrophobicContact CG1-CD1 3.64Å; V726-L731 HydrophobicContact CG1-CD2 4.24Å; V726-L731 HydrophobicContact CG1-CG 3.95Å; V726-A876 HydrophobicContact CG2-CB 4.49Å; V726-E880 PolarHBondContact N-OE2 3.02Å | ||
| 727 | D | 80.7 | Confident | 71.8 | Confident | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | trans | -73.8 | 94.1 | 173.1 | 179.9 | 13 | 0 | 0 | 0 | 110.1 | N729 S730 L731 | D727-N729 PolarHBondContact O-N 3.44Å; D727-N729 VanDerWaalsContact O-N 3.07Å; D727-N729 WeakPolarHBondContact OD1-CB 3.2Å; D727-N729 PolarHBondContact OD1-N 3.21Å; D727-N729 PolarHBondContact OD1-ND2 3.01Å; D727-N729 VanDerWaalsContact OD1-ND2 3.13Å; D727-S730 WeakPolarHBondContact O-CA 3.4Å; D727-S730 WeakPolarHBondContact O-CB 3.28Å; D727-S730 PolarHBondContact O-N 2.92Å; D727-S730 WeakPolarHBondContact OD2-CB 3.39Å; D727-S730 PolarHBondContact OD2-N 3.45Å; D727-L731 PolarHBondContact O-N 3.17Å | ||
| 728 | V | 81.7 | Confident | 73.7 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -41.6 | -40.5 | 171.1 | 172 | 0 | 0 | 0 | 0 | 112.5 | V726 I732 R747 V877 E880 L881 | V726-V728 PolarHBondContact O-N 3.06Å; V728-I732 HydrophobicContact CG1-CD1 3.6Å; V728-I732 HydrophobicContact CG1-CG1 4.43Å; V728-I732 WeakPolarHBondContact O-CB 3.46Å; V728-I732 WeakPolarHBondContact O-CD1 3.23Å; V728-I732 WeakPolarHBondContact O-CG1 3.46Å; V728-I732 PolarHBondContact O-N 3.01Å; V728-R747 HydrophobicContact CG1-CG 4.02Å; V728-V877 HydrophobicContact CG1-CG1 4.16Å; V728-E880 HydrophobicContact CG2-CB 4.05Å; V728-E880 HydrophobicContact CG2-CG 3.6Å; V728-L881 HydrophobicContact CG1-CD2 3.98Å; V728-L881 HydrophobicContact CG2-CD2 4.42Å |
| 729 | N | 85.6 | Confident | 75.1 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -81 | -21.1 | -176.7 | -47.7 | -85.2 | 0 | 0 | 0 | 112.8 | D727 K733 | D727-N729 PolarHBondContact O-N 3.44Å; D727-N729 VanDerWaalsContact O-N 3.07Å; D727-N729 WeakPolarHBondContact OD1-CB 3.2Å; D727-N729 PolarHBondContact OD1-N 3.21Å; D727-N729 PolarHBondContact OD1-ND2 3.01Å; D727-N729 VanDerWaalsContact OD1-ND2 3.13Å; N729-K733 WeakPolarHBondContact O-CD 3.07Å; N729-K733 WeakPolarHBondContact O-CE 3.29Å; N729-K733 WeakPolarHBondContact O-CG 3.07Å |
| 730 | S | 85.4 | Confident | 77 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79.9 | -42.3 | 170.9 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | D727 K733 Q734 | D727-S730 WeakPolarHBondContact O-CA 3.4Å; D727-S730 WeakPolarHBondContact O-CB 3.28Å; D727-S730 PolarHBondContact O-N 2.92Å; D727-S730 WeakPolarHBondContact OD2-CB 3.39Å; D727-S730 PolarHBondContact OD2-N 3.45Å; S730-K733 PolarHBondContact O-N 3.47Å; S730-Q734 WeakPolarHBondContact O-CG 3.36Å; S730-Q734 PolarHBondContact O-N 2.82Å; S730-Q734 PolarHBondContact O-NE2 2.94Å |
| 731 | L | 85.8 | Confident | 79 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 176.6 | -69.7 | -168.6 | 0 | 0 | 0 | 112.8 | V726 D727 K733 Q734 L735 R873 A876 V877 | V726-L731 HydrophobicContact CB-CD1 4.1Å; V726-L731 HydrophobicContact CG1-CD1 3.64Å; V726-L731 HydrophobicContact CG1-CD2 4.24Å; V726-L731 HydrophobicContact CG1-CG 3.95Å; D727-L731 PolarHBondContact O-N 3.17Å; L731-K733 PolarHBondContact O-N 3.44Å; L731-Q734 WeakPolarHBondContact O-CA 3.36Å; L731-Q734 WeakPolarHBondContact O-CB 3.4Å; L731-Q734 PolarHBondContact O-N 3.42Å; L731-L735 PolarHBondContact O-N 2.99Å; L731-R873 HydrophobicContact CD2-CG 4.32Å; L731-A876 HydrophobicContact CD1-CB 3.53Å; L731-V877 HydrophobicContact CB-CG2 3.64Å; L731-V877 HydrophobicContact CD1-CG2 3.85Å; L731-V877 HydrophobicContact CG-CG2 4.43Å |
| 732 | I | 87.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -29.2 | 178.8 | -70.7 | 171.3 | 0 | 0 | 0 | 111.6 | V728 Q734 L735 R740 L743 E744 R747 V877 | V728-I732 HydrophobicContact CG1-CD1 3.6Å; V728-I732 HydrophobicContact CG1-CG1 4.43Å; V728-I732 WeakPolarHBondContact O-CB 3.46Å; V728-I732 WeakPolarHBondContact O-CD1 3.23Å; V728-I732 WeakPolarHBondContact O-CG1 3.46Å; V728-I732 PolarHBondContact O-N 3.01Å; I732-Q734 VanDerWaalsContact C-N 3.26Å; I732-Q734 PolarHBondContact O-N 3.25Å; I732-L735 PolarHBondContact O-N 2.7Å; I732-L735 VanDerWaalsContact O-O 3.09Å; I732-R740 HydrophobicContact CG2-CG 4.11Å; I732-L743 HydrophobicContact CD1-CB 4.05Å; I732-L743 HydrophobicContact CG1-CB 4Å; I732-L743 HydrophobicContact CG1-CD1 4.41Å; I732-E744 HydrophobicContact CG2-CG 3.42Å; I732-E744 VanDerWaalsContact CG2-CG 3.42Å; I732-R747 HydrophobicContact CD1-CB 4.14Å; I732-R747 HydrophobicContact CD1-CG 4.43Å; I732-V877 HydrophobicContact CD1-CG1 4Å; I732-V877 HydrophobicContact CG1-CG1 4.1Å; I732-V877 HydrophobicContact CG1-CG2 3.92Å |
| 733 | K | 87.3 | Confident | 82.7 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.9 | 174 | -74.6 | 172.9 | -171 | 171 | 0 | 114.5 | N729 S730 L731 | N729-K733 WeakPolarHBondContact O-CD 3.07Å; N729-K733 WeakPolarHBondContact O-CE 3.29Å; N729-K733 WeakPolarHBondContact O-CG 3.07Å; S730-K733 PolarHBondContact O-N 3.47Å; L731-K733 PolarHBondContact O-N 3.44Å |
| 734 | Q | 86.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.1 | 173.7 | -63.1 | 168.9 | 43 | 0 | 0 | 112.1 | S730 L731 I732 | S730-Q734 WeakPolarHBondContact O-CG 3.36Å; S730-Q734 PolarHBondContact O-N 2.82Å; S730-Q734 PolarHBondContact O-NE2 2.94Å; L731-Q734 WeakPolarHBondContact O-CA 3.36Å; L731-Q734 WeakPolarHBondContact O-CB 3.4Å; L731-Q734 PolarHBondContact O-N 3.42Å; I732-Q734 VanDerWaalsContact C-N 3.26Å; I732-Q734 PolarHBondContact O-N 3.25Å |
| 735 | L | 86.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | trans | -115.3 | 147.2 | 174.6 | -66.9 | 172.7 | 0 | 0 | 0 | 108.4 | L731 I732 R740 L743 I870 R873 | L731-L735 PolarHBondContact O-N 2.99Å; I732-L735 PolarHBondContact O-N 2.7Å; I732-L735 VanDerWaalsContact O-O 3.09Å; L735-R740 HydrophobicContact CB-CB 4.35Å; L735-R740 WeakPolarHBondContact O-CB 3.3Å; L735-R740 WeakPolarHBondContact O-CD 3.33Å; L735-R740 VanDerWaalsContact O-CG 3.27Å; L735-R740 WeakPolarHBondContact O-CG 3.23Å; L735-R740 PolarHBondContact O-NH1 3.11Å; L735-L743 HydrophobicContact CD1-CD1 3.41Å; L735-L743 VanDerWaalsContact CD1-CD1 3.41Å; L735-I870 HydrophobicContact CD2-CB 4.46Å; L735-I870 HydrophobicContact CD2-CG2 3.98Å; L735-R873 HydrophobicContact CD1-CB 4.11Å; L735-R873 HydrophobicContact CD2-CB 3.93Å; L735-R873 HydrophobicContact CG-CB 4.18Å | ||
| 736 | D | 83.5 | Confident | 86.9 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | trans | -128 | -167.6 | 175.8 | -73.9 | -45.2 | 0 | 0 | 0 | 110.2 | R740 | D736-R740 WeakPolarHBondContact O-CB 3.37Å; D736-R740 PolarHBondContact O-N 3.04Å; D736-R740 IonicContact OD1-CZ 2.78Å; D736-R740 IonicContact OD1-NH1 2.76Å; D736-R740 PolarHBondContact OD1-NH1 3.41Å | ||
| 737 | G | 86.9 | Confident | 87.7 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 69.3 | -159.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I739 T741 E862 | G737-I739 VanDerWaalsContact C-N 3.35Å; G737-T741 PolarHBondContact O-N 2.75Å; G737-T741 PolarHBondContact O-OG1 3.39Å; G737-E862 WeakPolarHBondContact CA-OE1 3.26Å |
| 738 | H | 88.6 | Confident | 88.1 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | 179.1 | -52.3 | 89.4 | 0 | 0 | 0 | 111.2 | R740 T741 A742 A858 E862 | H738-R740 VanDerWaalsContact C-N 3.34Å; H738-R740 PolarHBondContact O-N 2.93Å; H738-T741 WeakPolarHBondContact O-CB 3.42Å; H738-T741 PolarHBondContact O-N 3.05Å; H738-A742 PolarHBondContact O-N 3.5Å; H738-A858 HydrophobicContact CB-CB 3.91Å; H738-E862 VanDerWaalsContact CB-OE2 3.32Å; H738-E862 WeakPolarHBondContact CB-OE2 3.45Å; H738-E862 IonicContact CE1-OE2 3.9Å; H738-E862 IonicContact CG-OE2 3.95Å; H738-E862 PolarHBondContact N-OE2 3.5Å; H738-E862 IonicContact ND1-OE2 3.97Å; H738-E862 PolarHBondContact ND1-OE2 2.96Å |
| 739 | I | 89.5 | Confident | 88.3 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 177.2 | -62.4 | -178.8 | 0 | 0 | 0 | 110.5 | G737 T741 A742 L743 L855 A858 V859 E862 F865 T874 | G737-I739 VanDerWaalsContact C-N 3.35Å; I739-T741 VanDerWaalsContact C-N 3.31Å; I739-T741 PolarHBondContact O-N 3Å; I739-A742 PolarHBondContact O-N 2.98Å; I739-L743 HydrophobicContact CG2-CD1 4.02Å; I739-L743 HydrophobicContact CG2-CG 4.35Å; I739-L743 WeakPolarHBondContact O-CB 3.28Å; I739-L743 VanDerWaalsContact O-CG 3.31Å; I739-L743 WeakPolarHBondContact O-CG 3.31Å; I739-L743 PolarHBondContact O-N 3.08Å; I739-L855 HydrophobicContact CG2-CD1 4.16Å; I739-A858 HydrophobicContact CG1-CB 4.21Å; I739-V859 HydrophobicContact CD1-CG2 4.03Å; I739-V859 HydrophobicContact CG1-CG2 4.22Å; I739-E862 HydrophobicContact CD1-CB 3.75Å; I739-E862 HydrophobicContact CD1-CG 4.05Å; I739-E862 HydrophobicContact CG1-CB 3.93Å; I739-E862 HydrophobicContact CG1-CG 4.21Å; I739-F865 HydrophobicContact CD1-CB 4.34Å; I739-F865 HydrophobicContact CD1-CD2 3.47Å; I739-F865 VanDerWaalsContact CD1-CD2 3.47Å; I739-F865 HydrophobicContact CD1-CE2 4.22Å; I739-F865 HydrophobicContact CD1-CG 4.29Å; I739-T874 HydrophobicContact CG2-CG2 3.94Å |
| 740 | R | 90.6 | Very high | 88.1 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.6 | -48.4 | 173.6 | -176.5 | -158.5 | -177.4 | 122 | 4.1 | 111.6 | I732 L735 D736 H738 A742 L743 E744 | I732-R740 HydrophobicContact CG2-CG 4.11Å; L735-R740 HydrophobicContact CB-CB 4.35Å; L735-R740 WeakPolarHBondContact O-CB 3.3Å; L735-R740 WeakPolarHBondContact O-CD 3.33Å; L735-R740 VanDerWaalsContact O-CG 3.27Å; L735-R740 WeakPolarHBondContact O-CG 3.23Å; L735-R740 PolarHBondContact O-NH1 3.11Å; D736-R740 WeakPolarHBondContact O-CB 3.37Å; D736-R740 PolarHBondContact O-N 3.04Å; D736-R740 IonicContact OD1-CZ 2.78Å; D736-R740 IonicContact OD1-NH1 2.76Å; D736-R740 PolarHBondContact OD1-NH1 3.41Å; H738-R740 VanDerWaalsContact C-N 3.34Å; H738-R740 PolarHBondContact O-N 2.93Å; R740-A742 PolarHBondContact O-N 3.41Å; R740-L743 PolarHBondContact O-N 2.62Å; R740-E744 HydrophobicContact CG-CG 4.43Å; R740-E744 IonicContact CZ-OE1 3.68Å; R740-E744 IonicContact NE-OE1 2.7Å; R740-E744 PolarHBondContact NE-OE1 3.38Å; R740-E744 IonicContact NH2-OE1 3.21Å; R740-E744 WeakPolarHBondContact O-CB 3.28Å; R740-E744 WeakPolarHBondContact O-CG 3.49Å; R740-E744 PolarHBondContact O-N 2.77Å |
| 741 | T | 90.8 | Very high | 87.8 | Confident | 74 Ų | 74 | 50 Ų | 50 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | -177.6 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | G737 H738 I739 E744 Q745 | G737-T741 PolarHBondContact O-N 2.75Å; G737-T741 PolarHBondContact O-OG1 3.39Å; H738-T741 WeakPolarHBondContact O-CB 3.42Å; H738-T741 PolarHBondContact O-N 3.05Å; I739-T741 VanDerWaalsContact C-N 3.31Å; I739-T741 PolarHBondContact O-N 3Å; T741-E744 PolarHBondContact O-N 3.3Å; T741-Q745 WeakPolarHBondContact O-CG 3.47Å; T741-Q745 PolarHBondContact O-N 3.47Å; T741-Q745 VanDerWaalsContact O-N 3.08Å |
| 742 | A | 91.9 | Very high | 87.5 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H738 I739 R740 E744 Q745 F746 L855 A858 | H738-A742 PolarHBondContact O-N 3.5Å; I739-A742 PolarHBondContact O-N 2.98Å; R740-A742 PolarHBondContact O-N 3.41Å; A742-E744 PolarHBondContact O-N 2.79Å; A742-Q745 PolarHBondContact O-N 2.87Å; A742-F746 VanDerWaalsContact O-CB 3.32Å; A742-F746 WeakPolarHBondContact O-CB 3.23Å; A742-F746 PolarHBondContact O-N 2.86Å; A742-L855 HydrophobicContact CB-CB 4.12Å; A742-L855 HydrophobicContact CB-CD1 3.88Å; A742-A858 HydrophobicContact CB-CB 4.16Å |
| 743 | L | 91.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 174.8 | -68.1 | 177.3 | 0 | 0 | 0 | 112.7 | I732 L735 I739 R740 R747 L855 T874 V877 V878 | I732-L743 HydrophobicContact CD1-CB 4.05Å; I732-L743 HydrophobicContact CG1-CB 4Å; I732-L743 HydrophobicContact CG1-CD1 4.41Å; L735-L743 HydrophobicContact CD1-CD1 3.41Å; L735-L743 VanDerWaalsContact CD1-CD1 3.41Å; I739-L743 HydrophobicContact CG2-CD1 4.02Å; I739-L743 HydrophobicContact CG2-CG 4.35Å; I739-L743 WeakPolarHBondContact O-CB 3.28Å; I739-L743 VanDerWaalsContact O-CG 3.31Å; I739-L743 WeakPolarHBondContact O-CG 3.31Å; I739-L743 PolarHBondContact O-N 3.08Å; R740-L743 PolarHBondContact O-N 2.62Å; L743-R747 WeakPolarHBondContact O-CB 3.29Å; L743-R747 PolarHBondContact O-N 3.14Å; L743-L855 HydrophobicContact CD2-CD1 3.65Å; L743-L855 HydrophobicContact CD2-CD2 3.6Å; L743-L855 HydrophobicContact CD2-CG 4.28Å; L743-L855 HydrophobicContact CG-CD1 3.79Å; L743-T874 HydrophobicContact CD1-CG2 4.3Å; L743-T874 HydrophobicContact CD2-CG2 4.48Å; L743-V877 HydrophobicContact CB-CG1 4.43Å; L743-V877 HydrophobicContact CD1-CB 4.26Å; L743-V877 HydrophobicContact CD1-CG1 4.31Å; L743-V877 HydrophobicContact CD1-CG2 4.38Å; L743-V877 HydrophobicContact CD2-CB 4.2Å; L743-V877 HydrophobicContact CD2-CG1 3.79Å; L743-V877 HydrophobicContact CG-CG1 4.41Å; L743-V878 HydrophobicContact CD2-CG2 4.06Å |
| 744 | E | 91 | Very high | 85.6 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 29% | 0.29 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.9 | -74 | -162.8 | -162.3 | 0 | 0 | 111.6 | I732 R740 T741 A742 R747 D748 | I732-E744 HydrophobicContact CG2-CG 3.42Å; I732-E744 VanDerWaalsContact CG2-CG 3.42Å; R740-E744 HydrophobicContact CG-CG 4.43Å; R740-E744 IonicContact CZ-OE1 3.68Å; R740-E744 IonicContact NE-OE1 2.7Å; R740-E744 PolarHBondContact NE-OE1 3.38Å; R740-E744 IonicContact NH2-OE1 3.21Å; R740-E744 WeakPolarHBondContact O-CB 3.28Å; R740-E744 WeakPolarHBondContact O-CG 3.49Å; R740-E744 PolarHBondContact O-N 2.77Å; T741-E744 PolarHBondContact O-N 3.3Å; A742-E744 PolarHBondContact O-N 2.79Å; E744-R747 PolarHBondContact O-NH2 2.88Å; E744-R747 IonicContact OE2-NH2 2.8Å; E744-D748 VanDerWaalsContact O-CG 3.32Å; E744-D748 PolarHBondContact O-N 2.88Å |
| 745 | Q | 90.3 | Very high | 84.7 | Confident | 108 Ų | 108 | 48.6 Ų | 48.6 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -51.2 | 174.5 | -69.2 | 172.1 | 10.2 | 0 | 0 | 111.9 | T741 A742 R747 D748 V749 | T741-Q745 WeakPolarHBondContact O-CG 3.47Å; T741-Q745 PolarHBondContact O-N 3.47Å; T741-Q745 VanDerWaalsContact O-N 3.08Å; A742-Q745 PolarHBondContact O-N 2.87Å; Q745-R747 VanDerWaalsContact C-N 3.32Å; Q745-R747 PolarHBondContact O-N 3.29Å; Q745-D748 PolarHBondContact O-N 3.41Å; Q745-V749 PolarHBondContact O-N 3.34Å |
| 746 | F | 91.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | -179 | -162.9 | -1.5 | 0 | 0 | 0 | 111.7 | A742 D748 A750 L848 M852 L855 L881 L882 | A742-F746 VanDerWaalsContact O-CB 3.32Å; A742-F746 WeakPolarHBondContact O-CB 3.23Å; A742-F746 PolarHBondContact O-N 2.86Å; F746-D748 VanDerWaalsContact C-N 3.29Å; F746-D748 PolarHBondContact O-N 3.29Å; F746-A750 VanDerWaalsContact O-CB 3.27Å; F746-A750 WeakPolarHBondContact O-CB 3.43Å; F746-A750 PolarHBondContact O-N 3.28Å; F746-L848 HydrophobicContact CD1-CD2 4.34Å; F746-L848 HydrophobicContact CE1-CB 4.43Å; F746-L848 HydrophobicContact CE1-CD2 3.94Å; F746-M852 HydrophobicContact CE2-CB 3.81Å; F746-M852 HydrophobicContact CE2-CE 4.13Å; F746-M852 HydrophobicContact CE2-SD 4.11Å; F746-M852 HydrophobicContact CZ-CB 3.83Å; F746-M852 HydrophobicContact CZ-CE 4.35Å; F746-L855 HydrophobicContact CD2-CD2 4.17Å; F746-L855 HydrophobicContact CE2-CD2 4.42Å; F746-L881 HydrophobicContact CB-CD1 3.86Å; F746-L881 HydrophobicContact CD1-CD1 4.07Å; F746-L881 HydrophobicContact CD2-CD1 3.91Å; F746-L881 HydrophobicContact CG-CD1 3.64Å; F746-L882 HydrophobicContact CE1-CD2 3.86Å; F746-L882 HydrophobicContact CZ-CD1 4Å; F746-L882 HydrophobicContact CZ-CD2 3.78Å; F746-L882 HydrophobicContact CZ-CG 4.01Å |
| 747 | R | 89.3 | Confident | 81.9 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.4 | -42.9 | 170.9 | 172.9 | -158.6 | 69.4 | -152 | -9.9 | 112.1 | V728 I732 L743 E744 Q745 A750 K751 L881 | V728-R747 HydrophobicContact CG1-CG 4.02Å; I732-R747 HydrophobicContact CD1-CB 4.14Å; I732-R747 HydrophobicContact CD1-CG 4.43Å; L743-R747 WeakPolarHBondContact O-CB 3.29Å; L743-R747 PolarHBondContact O-N 3.14Å; E744-R747 PolarHBondContact O-NH2 2.88Å; E744-R747 IonicContact OE2-NH2 2.8Å; Q745-R747 VanDerWaalsContact C-N 3.32Å; Q745-R747 PolarHBondContact O-N 3.29Å; R747-A750 PolarHBondContact O-N 2.86Å; R747-K751 WeakPolarHBondContact O-CG 3.42Å; R747-K751 PolarHBondContact O-N 3.25Å; R747-L881 HydrophobicContact CB-CD2 4.07Å; R747-L881 HydrophobicContact CG-CD2 4.49Å |
| 748 | D | 88.2 | Confident | 79.7 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -81.2 | -31.7 | -173.6 | -67 | -19.2 | 0 | 0 | 0 | 112.4 | E744 Q745 F746 K751 Q752 | E744-D748 VanDerWaalsContact O-CG 3.32Å; E744-D748 PolarHBondContact O-N 2.88Å; Q745-D748 PolarHBondContact O-N 3.41Å; F746-D748 VanDerWaalsContact C-N 3.29Å; F746-D748 PolarHBondContact O-N 3.29Å; D748-K751 PolarHBondContact O-N 3.23Å; D748-K751 WeakPolarHBondContact OD1-CD 3.41Å; D748-K751 WeakPolarHBondContact OD1-CE 3.47Å; D748-K751 IonicContact OD1-NZ 2.75Å; D748-K751 PolarHBondContact OD1-NZ 2.99Å; D748-Q752 WeakPolarHBondContact O-CB 3.41Å; D748-Q752 PolarHBondContact O-N 3.22Å |
| 749 | V | 85.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 163.7 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | Q745 K751 Q752 V753 D847 L848 S851 | Q745-V749 PolarHBondContact O-N 3.34Å; V749-K751 VanDerWaalsContact C-N 3.29Å; V749-K751 PolarHBondContact O-N 2.91Å; V749-Q752 WeakPolarHBondContact O-CB 3.25Å; V749-Q752 PolarHBondContact O-N 3.23Å; V749-V753 HydrophobicContact CG1-CG2 4.31Å; V749-V753 WeakPolarHBondContact O-CG2 3.37Å; V749-V753 PolarHBondContact O-N 3.03Å; V749-D847 HydrophobicContact CG1-CB 3.71Å; V749-L848 HydrophobicContact CG1-CD2 3.83Å; V749-L848 HydrophobicContact CG1-CG 4.22Å; V749-S851 WeakPolarHBondContact CG2-OG 3.23Å |
| 750 | A | 81.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F746 R747 G754 L755 I756 L848 | F746-A750 VanDerWaalsContact O-CB 3.27Å; F746-A750 WeakPolarHBondContact O-CB 3.43Å; F746-A750 PolarHBondContact O-N 3.28Å; R747-A750 PolarHBondContact O-N 2.86Å; A750-G754 PolarHBondContact O-N 2.82Å; A750-L755 HydrophobicContact CB-CB 4.3Å; A750-L755 HydrophobicContact CB-CD1 4.11Å; A750-L755 WeakPolarHBondContact O-CB 3.49Å; A750-L755 PolarHBondContact O-N 3Å; A750-I756 HydrophobicContact CB-CD1 3.85Å; A750-I756 HydrophobicContact CB-CG1 4.26Å; A750-I756 PolarHBondContact O-N 3.37Å; A750-L848 HydrophobicContact CB-CD2 4.4Å |
| 751 | K | 79.8 | Confident | 70.7 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 168.8 | -72.4 | 170.2 | -169.4 | 159.5 | 0 | 112.2 | R747 D748 V749 V753 G754 I756 | R747-K751 WeakPolarHBondContact O-CG 3.42Å; R747-K751 PolarHBondContact O-N 3.25Å; D748-K751 PolarHBondContact O-N 3.23Å; D748-K751 WeakPolarHBondContact OD1-CD 3.41Å; D748-K751 WeakPolarHBondContact OD1-CE 3.47Å; D748-K751 IonicContact OD1-NZ 2.75Å; D748-K751 PolarHBondContact OD1-NZ 2.99Å; V749-K751 VanDerWaalsContact C-N 3.29Å; V749-K751 PolarHBondContact O-N 2.91Å; K751-V753 VanDerWaalsContact C-N 3.33Å; K751-V753 PolarHBondContact O-N 3.44Å; K751-G754 WeakPolarHBondContact O-CA 3.45Å; K751-G754 PolarHBondContact O-N 2.87Å; K751-I756 HydrophobicContact CG-CB 4.28Å |
| 752 | Q | 78.6 | Confident | 67.5 | Low | 156 Ų | 156 | 62.4 Ų | 62.4 | 73% | 0.729 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | -180 | 179.9 | 172.8 | -35.3 | 0 | 0 | 112.1 | D748 V749 G754 | D748-Q752 WeakPolarHBondContact O-CB 3.41Å; D748-Q752 PolarHBondContact O-N 3.22Å; V749-Q752 WeakPolarHBondContact O-CB 3.25Å; V749-Q752 PolarHBondContact O-N 3.23Å; Q752-G754 VanDerWaalsContact C-N 3.26Å; Q752-G754 PolarHBondContact O-N 3.2Å |
| 753 | V | 70.8 | Confident | 64.2 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71 | -20.1 | 172.5 | 173.4 | 0 | 0 | 0 | 0 | 112.5 | V749 K751 L755 L839 V844 L848 | V749-V753 HydrophobicContact CG1-CG2 4.31Å; V749-V753 WeakPolarHBondContact O-CG2 3.37Å; V749-V753 PolarHBondContact O-N 3.03Å; K751-V753 VanDerWaalsContact C-N 3.33Å; K751-V753 PolarHBondContact O-N 3.44Å; V753-L755 HydrophobicContact CG1-CD1 4.43Å; V753-L755 HydrophobicContact CG1-CG 4.04Å; V753-L839 HydrophobicContact CG1-CD2 3.56Å; V753-V844 HydrophobicContact CB-CG1 4.29Å; V753-V844 HydrophobicContact CG1-CG1 3.42Å; V753-V844 VanDerWaalsContact CG1-CG1 3.42Å; V753-V844 HydrophobicContact CG2-CB 4.47Å; V753-V844 HydrophobicContact CG2-CG1 3.84Å; V753-V844 HydrophobicContact CG2-CG2 4.35Å; V753-L848 HydrophobicContact CG1-CD1 4.31Å; V753-L848 HydrophobicContact CG2-CD1 4.38Å; V753-L848 HydrophobicContact CG2-CD2 4.45Å; V753-L848 HydrophobicContact CG2-CG 4.31Å |
| 754 | G | 65.7 | Low | 60.9 | Low | 37 Ų | 37 | 76.6 Ų | 76.6 | 38% | 0.381 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 20.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | A750 K751 Q752 I756 | A750-G754 PolarHBondContact O-N 2.82Å; K751-G754 WeakPolarHBondContact O-CA 3.45Å; K751-G754 PolarHBondContact O-N 2.87Å; Q752-G754 VanDerWaalsContact C-N 3.26Å; Q752-G754 PolarHBondContact O-N 3.2Å; G754-I756 VanDerWaalsContact C-N 3.25Å |
| 755 | L | 67.3 | Low | 57.7 | Low | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.147 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -63.7 | -35.6 | 166.4 | -67 | 170.6 | 0 | 0 | 0 | 110.6 | A750 V753 L839 L848 C884 | A750-L755 HydrophobicContact CB-CB 4.3Å; A750-L755 HydrophobicContact CB-CD1 4.11Å; A750-L755 WeakPolarHBondContact O-CB 3.49Å; A750-L755 PolarHBondContact O-N 3Å; V753-L755 HydrophobicContact CG1-CD1 4.43Å; V753-L755 HydrophobicContact CG1-CG 4.04Å; L755-L839 HydrophobicContact CD2-CD1 4.25Å; L755-L839 HydrophobicContact CD2-CD2 3.86Å; L755-L839 HydrophobicContact CG-CD2 4.44Å; L755-L848 HydrophobicContact CD1-CD1 3.84Å; L755-L848 HydrophobicContact CD1-CD2 3.89Å; L755-C884 HydrophobicContact CD2-CB 3.91Å |
| 756 | I | 63.6 | Low | 54.4 | Low | 43 Ų | 43 | 78.4 Ų | 78.4 | 22% | 0.221 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -121.2 | 139.5 | -177.1 | -51.5 | 173.5 | 0 | 0 | 0 | 109.8 | A750 K751 G754 L881 | A750-I756 HydrophobicContact CB-CD1 3.85Å; A750-I756 HydrophobicContact CB-CG1 4.26Å; A750-I756 PolarHBondContact O-N 3.37Å; K751-I756 HydrophobicContact CG-CB 4.28Å; G754-I756 VanDerWaalsContact C-N 3.25Å; I756-L881 HydrophobicContact CD1-CD2 3.32Å |
| 757 | R | 47.6 | Very low | 51.2 | Low | 117 Ų | 117 | 86.7 Ų | 86.7 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | trans | -107.1 | 147.6 | 171.7 | -72.5 | -175.9 | 170 | -168.5 | -1.4 | 110.9 | S707 S759 | S707-R757 PolarHBondContact OG-NH1 3.47Å; R757-S759 PolarHBondContact O-N 3.36Å; R757-S759 VanDerWaalsContact O-N 3.17Å | ||
| 758 | N | 40.1 | Very low | 48.2 | Very low | 129 Ų | 129 | 91.6 Ų | 91.6 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | trans | -55.9 | 118.8 | 175.9 | -72.6 | -18 | 0 | 0 | 0 | 111.6 | S760 | N758-S760 PolarHBondContact O-N 3.13Å; N758-S760 VanDerWaalsContact O-N 3.08Å | ||
| 759 | S | 31.2 | Very low | 45.3 | Very low | 99 Ų | 99 | 95.2 Ų | 95.2 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | trans | -80.7 | 78 | 179.5 | 36 | 0 | 0 | 0 | 0 | 111.4 | R757 | R757-S759 PolarHBondContact O-N 3.36Å; R757-S759 VanDerWaalsContact O-N 3.17Å | ||
| 760 | S | 25.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 100.6 Ų | 100.6 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | trans | -124.9 | 8.2 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 115 | N758 | N758-S760 PolarHBondContact O-N 3.13Å; N758-S760 VanDerWaalsContact O-N 3.08Å | ||
| 761 | I | 24.3 | Very low | 40 | Very low | 142 Ų | 142 | 107.7 Ų | 107.7 | 73% | 0.728 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -129.3 | 112.2 | 171.1 | -59.9 | 178.7 | 0 | 0 | 0 | 107.5 | ||
| 762 | G | 22.7 | Very low | 37.7 | Very low | 71 Ų | 71 | 111.9 Ų | 111.9 | 73% | 0.732 | 65% | 0.648 | S | S | * | * | trans | -73.6 | 150.7 | -157.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 763 | L | 23.4 | Very low | 35.2 | Very low | 171 Ų | 171 | 110.8 Ų | 110.8 | 90% | 0.895 | 65% | 0.647 | S | S | * | * | trans | -99.9 | 80.3 | 163.6 | -79.7 | 164.7 | 0 | 0 | 0 | 109.3 | ||||
| 764 | C | 20.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 90% | 0.899 | 68% | 0.679 | S | S | * | * | trans | -113.2 | 99.4 | 167.4 | -72.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 765 | A | 23.5 | Very low | 31.5 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -152.6 | 31 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 766 | S | 22 | Very low | 29.5 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -147.9 | 146.1 | 164.1 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 767 | Q | 24.7 | Very low | 27.8 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 70.3 | 149.9 | -178.3 | -48.4 | -175.7 | 12.3 | 0 | 0 | 116.6 | ||
| 768 | N | 26.2 | Very low | 26.8 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 70.6 | 108.9 | 175.7 | -56.6 | -33.2 | 0 | 0 | 0 | 115.9 | ||||
| 769 | L | 26.3 | Very low | 26.3 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | 79.3 | 113.4 | 101.1 | -70.2 | 167.3 | 0 | 0 | 0 | 110.6 | |||||
| 770 | D | 24.8 | Very low | 26 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | 55.9 | 132.6 | 67 | -66.2 | -39 | 0 | 0 | 0 | 113.1 | |||||
| 771 | D | 31.9 | Very low | 26.2 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 78.5 | 124.5 | 176.5 | -71.2 | -30.4 | 0 | 0 | 0 | 121.5 | ||||
| 772 | L | 30.2 | Very low | 26.4 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 71.6 | 78.7 | 138.2 | -61 | 169.9 | 0 | 0 | 0 | 122.2 | ||||
| 773 | D | 26.6 | Very low | 26.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | 32.3 | 141.5 | 99.5 | -157.5 | 26.1 | 0 | 0 | 0 | 122.3 | |||||
| 774 | N | 29.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 72.2 | 145 | 172.1 | -55 | -73.7 | 0 | 0 | 0 | 120 | ||||
| 775 | G | 29 | Very low | 27 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -167.7 | -69.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 776 | C | 25.9 | Very low | 27 | Very low | 112 Ų | 112 | 141 Ų | 141 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 140.4 | 172.7 | -81.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 777 | Y | 27.8 | Very low | 27.1 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 79.9 | 109.8 | 145.6 | -65.8 | -51.2 | 0 | 0 | 0 | 125.2 | ||||
| 778 | D | 25.7 | Very low | 27.2 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | 56 | 122.3 | 123.4 | -56.8 | -2.2 | 0 | 0 | 0 | 124.1 | |||||
| 779 | Q | 30.3 | Very low | 27.2 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | -156.6 | 158.1 | 109.4 | -109.7 | 173.9 | 13.5 | 0 | 0 | 112.7 | |||||
| 780 | E | 26 | Very low | 27.1 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -93.5 | 146.8 | -166.9 | -52.1 | 169.6 | 111 | 0 | 0 | 114 | ||||
| 781 | Q | 30 | Very low | 27.1 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | -179.2 | 148.6 | 120.8 | -99.9 | 166.6 | 45.2 | 0 | 0 | 114.5 | |||||
| 782 | N | 28.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 66.7 | 112 | 162.2 | -62.3 | -29.3 | 0 | 0 | 0 | 120.7 | ||
| 783 | S | 26.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 59.7 | 114.2 | 151.7 | 54.4 | 0 | 0 | 0 | 0 | 120.2 | ||
| 784 | S | 27.2 | Very low | 26.6 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 61.6 | 98.4 | 156.1 | -55.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 785 | G | 24.4 | Very low | 26.4 | Very low | 68 Ų | 68 | 145.4 Ų | 145.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | 130.5 | 95.6 | 9.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y787 | G785-Y787 PolarHBondContact O-N 2.92Š| ||
| 786 | N | 23.9 | Very low | 26.2 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 82.2 | -165.3 | -76.5 | -38.4 | 0 | 0 | 0 | 115.9 | ||||
| 787 | Y | 24.9 | Very low | 26.1 | Very low | 199 Ų | 199 | 155 Ų | 155 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -146.8 | 101.4 | 166 | -74.4 | -75.4 | 0 | 0 | 0 | 113.9 | G785 | G785-Y787 PolarHBondContact O-N 2.92Š| ||
| 788 | L | 25.2 | Very low | 26 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -149.7 | 27.6 | 157.7 | -144.7 | 84.4 | 0 | 0 | 0 | 115 | ||
| 789 | F | 26 | Very low | 25.9 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -122.3 | 2.6 | 172.5 | -120.1 | -84.3 | 0 | 0 | 0 | 114.4 | ||
| 790 | K | 25.1 | Very low | 25.9 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -138.4 | 151.4 | 161.4 | -73.6 | -166.9 | 171.8 | -167.2 | 0 | 108 | ||
| 791 | H | 25.5 | Very low | 25.9 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 64.4 | 62.6 | 179.9 | -58.3 | -82.9 | 0 | 0 | 0 | 117.6 | ||||
| 792 | I | 26.1 | Very low | 25.7 | Very low | 142 Ų | 142 | 146 Ų | 146 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | -95.9 | 91.2 | 129.8 | -63.1 | -179.5 | 0 | 0 | 0 | 106.2 | |||||
| 793 | N | 23.8 | Very low | 25.6 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -104.4 | 73.2 | 174.3 | -168.2 | 12 | 0 | 0 | 0 | 109.6 | ||||
| 794 | I | 28.4 | Very low | 25.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -124.3 | 125.6 | 165.3 | -54.1 | 175.9 | 0 | 0 | 0 | 105.1 | ||||
| 795 | G | 24.1 | Very low | 25.8 | Very low | 52 Ų | 52 | 140.5 Ų | 140.5 | 54% | 0.536 | 71% | 0.709 | S | S | . | * | cis | 133.2 | 70 | 13.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 796 | T | 24.5 | Very low | 26 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | trans | 40.2 | 81.3 | 158.7 | 49.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 797 | R | 24.8 | Very low | 26.1 | Very low | 252 Ų | 252 | 136.3 Ų | 136.3 | 95% | 0.951 | 67% | 0.669 | S | S | * | * | trans | -169.7 | 148.3 | 132.5 | -99.3 | 142.1 | -171.2 | -169.6 | 1.7 | 110.9 | ||||
| 798 | G | 24.1 | Very low | 26.2 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | trans | -90.5 | 156 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 799 | H | 25.5 | Very low | 26.3 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 73% | 0.731 | 67% | 0.669 | S | S | * | * | trans | -166.9 | 92.2 | 153.3 | -97.7 | 88.4 | 0 | 0 | 0 | 107.5 | I801 | H799-I801 PolarHBondContact O-N 3.41Š| ||
| 800 | Q | 28.6 | Very low | 26.6 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 66% | 0.656 | S | S | * | * | trans | -88.9 | 101.4 | -179.2 | -106.6 | -171.5 | 0.2 | 0 | 0 | 112.1 | ||||
| 801 | I | 26.6 | Very low | 26.7 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -83.9 | 113 | 175.3 | -62.1 | 171.2 | 0 | 0 | 0 | 109.3 | H799 M803 | H799-I801 PolarHBondContact O-N 3.41Å; I801-M803 HydrophobicContact CG2-CG 4.43Å | ||
| 802 | Y | 26.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 59% | 0.592 | 66% | 0.655 | S | S | * | * | trans | -94.1 | 107.2 | 172.7 | -105.2 | -90.5 | 0 | 0 | 0 | 111.8 | ||||
| 803 | M | 26.7 | Very low | 27.2 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 41% | 0.414 | 65% | 0.653 | S | S | . | * | trans | -131.4 | 156.6 | 162.9 | -73 | -154.7 | -172.3 | 0 | 0 | 109 | I801 T823 F826 | I801-M803 HydrophobicContact CG2-CG 4.43Å; M803-T823 HydrophobicContact CB-CG2 4Å; M803-T823 PolarHBondContact O-OG1 3.06Å; M803-T823 VanDerWaalsContact O-OG1 3.07Å; M803-F826 HydrophobicContact SD-CB 4.46Å | ||
| 804 | R | 30.5 | Very low | 27.6 | Very low | 39 Ų | 39 | 133.9 Ų | 133.9 | 15% | 0.147 | 65% | 0.652 | C | S | . | * | cis | -157.3 | 128.9 | -24.2 | -102.4 | 168.4 | -174.9 | -117.3 | 7.7 | 105.5 | K302 N303 T806 F826 | K302-R804 PolarHBondContact O-NH1 3.03Å; K302-R804 PolarHBondContact O-NH2 2.9Å; N303-R804 PolarHBondContact ND2-NH1 2.66Å; N303-R804 WeakPolarHBondContact OD1-CD 3.4Å; N303-R804 VanDerWaalsContact OD1-CG 3.27Å; N303-R804 WeakPolarHBondContact OD1-CG 3.49Å; N303-R804 PolarHBondContact OD1-NH1 3.39Å; R804-T806 PolarHBondContact O-N 3.27Å; R804-F826 HydrophobicContact CB-CD2 4.22Å; R804-F826 VanDerWaalsContact CD-CD2 3.45Å; R804-F826 VanDerWaalsContact CD-CG 3.45Å; R804-F826 HydrophobicContact CG-CD2 4.45Å | ||
| 805 | H | 27.1 | Very low | 27.5 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | trans | -92.8 | 67.9 | -167.9 | -136.7 | -63.4 | 0 | 0 | 0 | 113.6 | W299 | W299-H805 PolarHBondContact NE1-O 3.05Š| ||
| 806 | T | 27.1 | Very low | 27.7 | Very low | 42 Ų | 42 | 132.6 Ų | 132.6 | 26% | 0.258 | 66% | 0.659 | S | S | . | * | trans | -104.9 | 84 | -172.2 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | W299 N303 R804 L822 | W299-T806 HydrophobicContact CZ2-CG2 4.05Å; W299-T806 WeakPolarHBondContact CZ2-OG1 3.49Å; W299-T806 PolarHBondContact NE1-OG1 2.96Å; N303-T806 PolarHBondContact OD1-OG1 3.41Å; R804-T806 PolarHBondContact O-N 3.27Å; T806-L822 WeakPolarHBondContact O-CD2 3.22Å | ||
| 807 | Q | 27.7 | Very low | 28 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 48% | 0.481 | 66% | 0.656 | S | S | . | * | trans | -119.2 | 119 | 161.3 | -67.7 | 173.8 | -53.2 | 0 | 0 | 105.5 | Y811 | Q807-Y811 VanDerWaalsContact NE2-CE2 3.31Š| ||
| 808 | L | 27.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | cis | 66.9 | 135.5 | 29.8 | -132.2 | 84.2 | 0 | 0 | 0 | 114 | I810 | L808-I810 HydrophobicContact CD2-CD1 4.31Å; L808-I810 PolarHBondContact O-N 3.35Å | ||
| 809 | Y | 26.9 | Very low | 28.9 | Very low | 218 Ų | 218 | 124.7 Ų | 124.7 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -82.5 | 32 | -156.1 | -142.1 | -121.3 | 0 | 0 | 0 | 114 | ||
| 810 | I | 31.5 | Very low | 29.4 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 67% | 0.672 | 63% | 0.632 | S | S | * | * | trans | -125.8 | 78.3 | -169.2 | -49.5 | 177.5 | 0 | 0 | 0 | 109.1 | L808 | L808-I810 HydrophobicContact CD2-CD1 4.31Å; L808-I810 PolarHBondContact O-N 3.35Å | ||
| 811 | Y | 27.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 119 Ų | 119 | 53% | 0.525 | 62% | 0.615 | S | S | . | * | trans | -150.7 | 23.9 | 176.7 | -145.5 | -105.1 | 0 | 0 | 0 | 114.7 | N16 Q807 | N16-Y811 PolarHBondContact ND2-OH 3.38Å; N16-Y811 VanDerWaalsContact ND2-OH 3.14Å; Q807-Y811 VanDerWaalsContact NE2-CE2 3.31Å | ||
| 812 | I | 30 | Very low | 30 | Very low | 168 Ų | 168 | 114.4 Ų | 114.4 | 86% | 0.862 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -103.8 | -22.4 | -176.9 | -73.6 | 177.1 | 0 | 0 | 0 | 113.6 | ||
| 813 | I | 32.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 109.9 Ų | 109.9 | 68% | 0.677 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -114.3 | -39 | -166.4 | -50 | -175.3 | 0 | 0 | 0 | 114.9 | ||
| 814 | Y | 31.7 | Very low | 30.6 | Very low | 191 Ų | 191 | 108.4 Ų | 108.4 | 75% | 0.749 | 57% | 0.573 | S | S | * | * | trans | -130.5 | 135 | -176.1 | -66.9 | -71.7 | 0 | 0 | 0 | 113.9 | ||||
| 815 | G | 25.8 | Very low | 30.8 | Very low | 62 Ų | 62 | 110.7 Ų | 110.7 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | trans | -102.1 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 816 | S | 28.9 | Very low | 31.2 | Very low | 116 Ų | 116 | 106.2 Ų | 106.2 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | trans | 64.2 | 64.3 | 162.2 | -59.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 817 | C | 29.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 106.7 Ų | 106.7 | 78% | 0.784 | 57% | 0.571 | S | S | * | * | trans | -138.2 | 164.2 | 154.5 | -135.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 818 | S | 35.4 | Very low | 31.7 | Very low | 56 Ų | 56 | 102.7 Ų | 102.7 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | trans | -91.5 | 153 | -162.9 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | K19 H820 C821 | K19-S818 PolarHBondContact NZ-OG 2.94Å; S818-H820 PolarHBondContact O-N 3.12Å; S818-C821 PolarHBondContact O-N 3.41Å | ||
| 819 | C | 33.4 | Very low | 32.2 | Very low | 114 Ų | 114 | 101.6 Ų | 101.6 | 77% | 0.77 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.8 | -173.5 | -46.7 | 0 | 0 | 0 | 0 | 116.8 | C821 | C819-C821 VanDerWaalsContact C-N 3.29Å; C819-C821 PolarHBondContact O-N 3.41Å |
| 820 | H | 35.2 | Very low | 32.5 | Very low | 148 Ų | 148 | 95.3 Ų | 95.3 | 69% | 0.685 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -32.8 | 177.3 | -96.8 | 95.3 | 0 | 0 | 0 | 113 | S818 L822 T823 L824 | S818-H820 PolarHBondContact O-N 3.12Å; H820-L822 VanDerWaalsContact C-N 3.28Å; H820-L822 PolarHBondContact O-N 3.46Å; H820-T823 PolarHBondContact O-N 2.72Å; H820-L824 WeakPolarHBondContact O-CG 3.44Å; H820-L824 PolarHBondContact O-N 2.98Å |
| 821 | C | 32.2 | Very low | 32.6 | Very low | 71 Ų | 71 | 91.8 Ų | 91.8 | 48% | 0.48 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -30.4 | -173.1 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | S818 C819 L825 | S818-C821 PolarHBondContact O-N 3.41Å; C819-C821 VanDerWaalsContact C-N 3.29Å; C819-C821 PolarHBondContact O-N 3.41Å; C821-L825 WeakPolarHBondContact O-CB 3.42Å; C821-L825 PolarHBondContact O-N 3.13Å |
| 822 | L | 35.4 | Very low | 32.9 | Very low | 48 Ų | 48 | 90.5 Ų | 90.5 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.7 | -37.7 | -176.5 | -89.1 | 164.1 | 0 | 0 | 0 | 113.9 | T806 H820 L825 F826 | T806-L822 WeakPolarHBondContact O-CD2 3.22Å; H820-L822 VanDerWaalsContact C-N 3.28Å; H820-L822 PolarHBondContact O-N 3.46Å; L822-L825 WeakPolarHBondContact O-CB 3.32Å; L822-L825 PolarHBondContact O-N 3.41Å; L822-F826 PolarHBondContact O-N 2.84Å |
| 823 | T | 34.1 | Very low | 33.1 | Very low | 56 Ų | 56 | 86.1 Ų | 86.1 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | M803 H820 L825 F826 C827 | M803-T823 HydrophobicContact CB-CG2 4Å; M803-T823 PolarHBondContact O-OG1 3.06Å; M803-T823 VanDerWaalsContact O-OG1 3.07Å; H820-T823 PolarHBondContact O-N 2.72Å; T823-L825 VanDerWaalsContact C-N 3.27Å; T823-L825 PolarHBondContact O-N 3.17Å; T823-F826 PolarHBondContact O-N 2.9Å; T823-C827 PolarHBondContact O-N 2.7Å |
| 824 | L | 33.1 | Very low | 33 | Very low | 53 Ų | 53 | 86.9 Ų | 86.9 | 28% | 0.277 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 170.5 | -67.4 | 174 | 0 | 0 | 0 | 111.5 | I705 R709 H820 F826 C827 C828 | I705-L824 HydrophobicContact CB-CD2 4.39Å; I705-L824 HydrophobicContact CD1-CD2 3.74Å; I705-L824 HydrophobicContact CG1-CD2 3.77Å; I705-L824 HydrophobicContact CG2-CD2 3.76Å; R709-L824 PolarHBondContact NH2-O 3.23Å; H820-L824 WeakPolarHBondContact O-CG 3.44Å; H820-L824 PolarHBondContact O-N 2.98Å; L824-F826 PolarHBondContact O-N 3.37Å; L824-C827 CarbonylContact O-C 3.49Å; L824-C827 PolarHBondContact O-N 2.9Å; L824-C828 PolarHBondContact O-N 3.39Å; L824-C828 PolarHBondContact O-SG 3.37Å |
| 825 | L | 35 | Very low | 33.4 | Very low | 86 Ų | 86 | 80.3 Ų | 80.3 | 45% | 0.45 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 176.9 | -136.1 | 78.2 | 0 | 0 | 0 | 113.3 | C821 L822 T823 C828 | C821-L825 WeakPolarHBondContact O-CB 3.42Å; C821-L825 PolarHBondContact O-N 3.13Å; L822-L825 WeakPolarHBondContact O-CB 3.32Å; L822-L825 PolarHBondContact O-N 3.41Å; T823-L825 VanDerWaalsContact C-N 3.27Å; T823-L825 PolarHBondContact O-N 3.17Å; L825-C828 VanDerWaalsContact CA-SG 3.59Å; L825-C828 VanDerWaalsContact O-CB 3.27Å; L825-C828 WeakPolarHBondContact O-CB 3.3Å; L825-C828 PolarHBondContact O-N 3.04Å |
| 826 | F | 34.2 | Very low | 34.2 | Very low | 47 Ų | 47 | 79.6 Ų | 79.6 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73.1 | -33 | 177.2 | -114.8 | -79.1 | 0 | 0 | 0 | 112.7 | N303 M803 R804 L822 T823 L824 C828 | N303-F826 HydrophobicContact CB-CZ 4.4Å; N303-F826 WeakPolarHBondContact OD1-CE2 3.26Å; N303-F826 WeakPolarHBondContact OD1-CZ 3.37Å; M803-F826 HydrophobicContact SD-CB 4.46Å; R804-F826 HydrophobicContact CB-CD2 4.22Å; R804-F826 VanDerWaalsContact CD-CD2 3.45Å; R804-F826 VanDerWaalsContact CD-CG 3.45Å; R804-F826 HydrophobicContact CG-CD2 4.45Å; L822-F826 PolarHBondContact O-N 2.84Å; T823-F826 PolarHBondContact O-N 2.9Å; L824-F826 PolarHBondContact O-N 3.37Å; F826-C828 VanDerWaalsContact C-N 3.32Å |
| 827 | C | 31.4 | Very low | 34.9 | Very low | 52 Ų | 52 | 79.2 Ų | 79.2 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.1 | -22.4 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | R709 T823 L824 I829 N831 | R709-C827 PolarHBondContact NH2-SG 3Å; T823-C827 PolarHBondContact O-N 2.7Å; L824-C827 CarbonylContact O-C 3.49Å; L824-C827 PolarHBondContact O-N 2.9Å; C827-I829 VanDerWaalsContact C-N 3.25Å; C827-I829 PolarHBondContact O-N 3.04Å; C827-N831 PolarHBondContact O-N 3.38Å |
| 828 | C | 34.3 | Very low | 35.8 | Very low | 18 Ų | 18 | 80 Ų | 80 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | R709 L824 L825 F826 S830 Y832 | R709-C828 VanDerWaalsContact CD-SG 3.6Å; R709-C828 PolarHBondContact NE-SG 2.97Å; R709-C828 VanDerWaalsContact NH2-N 3.16Å; L824-C828 PolarHBondContact O-N 3.39Å; L824-C828 PolarHBondContact O-SG 3.37Å; L825-C828 VanDerWaalsContact CA-SG 3.59Å; L825-C828 VanDerWaalsContact O-CB 3.27Å; L825-C828 WeakPolarHBondContact O-CB 3.3Å; L825-C828 PolarHBondContact O-N 3.04Å; F826-C828 VanDerWaalsContact C-N 3.32Å; C828-S830 PolarHBondContact O-N 3.07Å; C828-Y832 WeakPolarHBondContact O-CB 3.23Å; C828-Y832 PolarHBondContact O-N 3.49Å |
| 829 | I | 38.5 | Very low | 36.7 | Very low | 116 Ų | 116 | 78.6 Ų | 78.6 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71 | -34.6 | -168.5 | -61.5 | 172.3 | 0 | 0 | 0 | 111.1 | C827 | C827-I829 VanDerWaalsContact C-N 3.25Å; C827-I829 PolarHBondContact O-N 3.04Å |
| 830 | S | 32.1 | Very low | 37.6 | Very low | 86 Ų | 86 | 77.5 Ų | 77.5 | 60% | 0.601 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71.5 | -51.9 | 175.7 | -56 | 0 | 0 | 0 | 0 | 112.2 | C828 Y832 S833 | C828-S830 PolarHBondContact O-N 3.07Å; S830-Y832 VanDerWaalsContact C-N 3.27Å; S830-Y832 PolarHBondContact O-N 3.34Å; S830-S833 WeakPolarHBondContact O-CB 3.27Å; S830-S833 PolarHBondContact O-N 2.55Å; S830-S833 PolarHBondContact O-OG 2.88Å |
| 831 | N | 34.2 | Very low | 38.8 | Very low | 58 Ų | 58 | 72.1 Ų | 72.1 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.6 | -11.4 | -178.2 | -84.4 | 8.2 | 0 | 0 | 0 | 114.3 | C827 S833 F834 | C827-N831 PolarHBondContact O-N 3.38Å; N831-S833 PolarHBondContact O-N 2.87Å; N831-F834 PolarHBondContact O-N 3.03Å |
| 832 | Y | 34.5 | Very low | 40.3 | Very low | 107 Ų | 107 | 72.1 Ų | 72.1 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.9 | -34 | 168.5 | -123.4 | -108.4 | 0 | 0 | 0 | 112.2 | Q713 C828 S830 F834 V836 | Q713-Y832 VanDerWaalsContact NE2-CZ 3.35Å; Q713-Y832 PolarHBondContact NE2-OH 3.15Å; C828-Y832 WeakPolarHBondContact O-CB 3.23Å; C828-Y832 PolarHBondContact O-N 3.49Å; S830-Y832 VanDerWaalsContact C-N 3.27Å; S830-Y832 PolarHBondContact O-N 3.34Å; Y832-F834 PolarHBondContact O-N 2.8Å; Y832-V836 HydrophobicContact CD1-CG2 3.94Å; Y832-V836 HydrophobicContact CE1-CG2 4.36Å; Y832-V836 WeakPolarHBondContact O-CB 3.31Å; Y832-V836 VanDerWaalsContact O-CG2 3.26Å; Y832-V836 WeakPolarHBondContact O-CG2 3.33Å; Y832-V836 PolarHBondContact O-N 3.3Å |
| 833 | S | 32.7 | Very low | 42.1 | Very low | 75 Ų | 75 | 73.4 Ų | 73.4 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.5 | -34 | 175.2 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | S830 N831 V837 | S830-S833 WeakPolarHBondContact O-CB 3.27Å; S830-S833 PolarHBondContact O-N 2.55Å; S830-S833 PolarHBondContact O-OG 2.88Å; N831-S833 PolarHBondContact O-N 2.87Å; S833-V837 VanDerWaalsContact O-CB 3.32Å; S833-V837 WeakPolarHBondContact O-CB 3.46Å; S833-V837 WeakPolarHBondContact O-CG2 3.05Å; S833-V837 PolarHBondContact O-N 2.94Å |
| 834 | F | 32.2 | Very low | 44 | Very low | 148 Ų | 148 | 71.1 Ų | 71.1 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -74.3 | -45.7 | -173.7 | -132.7 | -86.7 | 0 | 0 | 0 | 112.3 | N831 Y832 V837 Y838 | N831-F834 PolarHBondContact O-N 3.03Å; Y832-F834 PolarHBondContact O-N 2.8Å; F834-V837 PolarHBondContact O-N 3.45Å; F834-Y838 PolarHBondContact O-N 2.74Å; F834-Y838 VanDerWaalsContact O-N 3.12Å |
| 835 | N | 38.3 | Very low | 46.1 | Very low | 54 Ų | 54 | 69.2 Ų | 69.2 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.5 | -30.8 | 178.5 | -66.8 | -88.5 | 0 | 0 | 0 | 112.3 | R710 V837 Y838 L839 | R710-N835 PolarHBondContact NH2-ND2 2.97Å; R710-N835 PolarHBondContact NH2-OD1 3.17Å; N835-V837 VanDerWaalsContact C-N 3.33Å; N835-Y838 PolarHBondContact O-N 2.82Å; N835-L839 PolarHBondContact O-N 3.08Å |
| 836 | V | 43.4 | Very low | 48.5 | Very low | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.285 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68 | -32.3 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | Y832 R840 | Y832-V836 HydrophobicContact CD1-CG2 3.94Å; Y832-V836 HydrophobicContact CE1-CG2 4.36Å; Y832-V836 WeakPolarHBondContact O-CB 3.31Å; Y832-V836 VanDerWaalsContact O-CG2 3.26Å; Y832-V836 WeakPolarHBondContact O-CG2 3.33Å; Y832-V836 PolarHBondContact O-N 3.3Å; V836-R840 WeakPolarHBondContact O-CB 3.25Å; V836-R840 WeakPolarHBondContact O-CG 3.34Å; V836-R840 PolarHBondContact O-N 3.39Å |
| 837 | V | 44.3 | Very low | 50.9 | Low | 107 Ų | 107 | 69.9 Ų | 69.9 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.8 | -37.2 | 170.7 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | S833 F834 N835 R840 S841 | S833-V837 VanDerWaalsContact O-CB 3.32Å; S833-V837 WeakPolarHBondContact O-CB 3.46Å; S833-V837 WeakPolarHBondContact O-CG2 3.05Å; S833-V837 PolarHBondContact O-N 2.94Å; F834-V837 PolarHBondContact O-N 3.45Å; N835-V837 VanDerWaalsContact C-N 3.33Å; V837-R840 CarbonylContact O-C 3.29Å; V837-R840 PolarHBondContact O-N 3.34Å; V837-S841 PolarHBondContact O-N 3.23Å |
| 838 | Y | 48.4 | Very low | 53.5 | Low | 134 Ų | 134 | 67.4 Ų | 67.4 | 53% | 0.525 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 179.1 | -162.4 | -98.3 | 0 | 0 | 0 | 113 | F834 N835 R840 S841 V844 | F834-Y838 PolarHBondContact O-N 2.74Å; F834-Y838 VanDerWaalsContact O-N 3.12Å; N835-Y838 PolarHBondContact O-N 2.82Å; Y838-R840 PolarHBondContact O-N 3.44Å; Y838-S841 WeakPolarHBondContact O-CB 3.45Å; Y838-S841 PolarHBondContact O-N 2.91Å; Y838-S841 PolarHBondContact O-OG 3.23Å; Y838-V844 HydrophobicContact CE1-CG2 4.17Å |
| 839 | L | 52.8 | Low | 56.1 | Low | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.131 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.7 | -11.9 | 175.8 | -75.7 | 168.5 | 0 | 0 | 0 | 113.9 | V753 L755 N835 V844 | V753-L839 HydrophobicContact CG1-CD2 3.56Å; L755-L839 HydrophobicContact CD2-CD1 4.25Å; L755-L839 HydrophobicContact CD2-CD2 3.86Å; L755-L839 HydrophobicContact CG-CD2 4.44Å; N835-L839 PolarHBondContact O-N 3.08Å; L839-V844 HydrophobicContact CD2-CG1 4.11Å |
| 840 | R | 54.1 | Low | 58.6 | Low | 92 Ų | 92 | 68 Ų | 68 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 17.3 | 166.4 | -71.6 | -177.7 | 169.9 | -121.3 | -1.2 | 112.9 | V836 V837 Y838 L890 F908 | V836-R840 WeakPolarHBondContact O-CB 3.25Å; V836-R840 WeakPolarHBondContact O-CG 3.34Å; V836-R840 PolarHBondContact O-N 3.39Å; V837-R840 CarbonylContact O-C 3.29Å; V837-R840 PolarHBondContact O-N 3.34Å; Y838-R840 PolarHBondContact O-N 3.44Å; R840-L890 PolarHBondContact NH2-O 2.83Å; R840-F908 HydrophobicContact CG-CZ 4.28Å |
| 841 | S | 60.3 | Low | 61.4 | Low | 35 Ų | 35 | 64.5 Ų | 64.5 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | trans | -78.6 | 127.2 | 166.3 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | V837 Y838 S843 V844 L845 | V837-S841 PolarHBondContact O-N 3.23Å; Y838-S841 WeakPolarHBondContact O-CB 3.45Å; Y838-S841 PolarHBondContact O-N 2.91Å; Y838-S841 PolarHBondContact O-OG 3.23Å; S841-S843 VanDerWaalsContact C-N 3.28Å; S841-S843 PolarHBondContact O-N 3.36Å; S841-V844 PolarHBondContact O-N 3.28Å; S841-V844 VanDerWaalsContact O-N 3.11Å; S841-V844 WeakPolarHBondContact OG-CB 3.44Å; S841-V844 VanDerWaalsContact OG-CG2 3.3Å; S841-V844 WeakPolarHBondContact OG-CG2 3.28Å; S841-L845 PolarHBondContact O-N 3.24Å; S841-L845 VanDerWaalsContact O-N 3.15Å | ||
| 842 | A | 62.4 | Low | 64.2 | Low | 70 Ų | 70 | 61.8 Ų | 61.8 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.6 | -33.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L845 N846 | A842-L845 PolarHBondContact O-N 2.99Å; A842-N846 WeakPolarHBondContact O-CB 3.27Å; A842-N846 VanDerWaalsContact O-CG 3.25Å; A842-N846 PolarHBondContact O-N 3.39Å; A842-N846 PolarHBondContact O-OD1 3.48Å |
| 843 | S | 74.1 | Confident | 66.9 | Low | 75 Ų | 75 | 60.7 Ų | 60.7 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 112 | S841 L845 N846 D847 | S841-S843 VanDerWaalsContact C-N 3.28Å; S841-S843 PolarHBondContact O-N 3.36Å; S843-L845 PolarHBondContact O-N 3.17Å; S843-N846 PolarHBondContact O-N 2.55Å; S843-D847 PolarHBondContact O-N 3.33Å |
| 844 | V | 74.1 | Confident | 69.8 | Low | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 178.2 | 161.4 | 0 | 0 | 0 | 0 | 111.8 | V753 Y838 L839 S841 L848 | V753-V844 HydrophobicContact CB-CG1 4.29Å; V753-V844 HydrophobicContact CG1-CG1 3.42Å; V753-V844 VanDerWaalsContact CG1-CG1 3.42Å; V753-V844 HydrophobicContact CG2-CB 4.47Å; V753-V844 HydrophobicContact CG2-CG1 3.84Å; V753-V844 HydrophobicContact CG2-CG2 4.35Å; Y838-V844 HydrophobicContact CE1-CG2 4.17Å; L839-V844 HydrophobicContact CD2-CG1 4.11Å; S841-V844 PolarHBondContact O-N 3.28Å; S841-V844 VanDerWaalsContact O-N 3.11Å; S841-V844 WeakPolarHBondContact OG-CB 3.44Å; S841-V844 VanDerWaalsContact OG-CG2 3.3Å; S841-V844 WeakPolarHBondContact OG-CG2 3.28Å; V844-L848 HydrophobicContact CG1-CD1 4.4Å; V844-L848 WeakPolarHBondContact O-CD1 3.25Å; V844-L848 WeakPolarHBondContact O-CG 3.16Å |
| 845 | L | 77.6 | Confident | 72.7 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.4 | -45.3 | 176.8 | -150.8 | 73.5 | 0 | 0 | 0 | 111.1 | S841 A842 S843 L848 C849 E907 F908 | S841-L845 PolarHBondContact O-N 3.24Å; S841-L845 VanDerWaalsContact O-N 3.15Å; A842-L845 PolarHBondContact O-N 2.99Å; S843-L845 PolarHBondContact O-N 3.17Å; L845-L848 PolarHBondContact O-N 2.89Å; L845-C849 WeakPolarHBondContact O-CB 3.45Å; L845-C849 PolarHBondContact O-N 3.04Å; L845-C849 PolarHBondContact O-SG 2.94Å; L845-E907 HydrophobicContact CD2-CB 3.91Å; L845-F908 HydrophobicContact CD1-CD1 3.65Å; L845-F908 HydrophobicContact CD1-CE1 3.86Å; L845-F908 HydrophobicContact CD1-CG 4.18Å |
| 846 | N | 83.8 | Confident | 75.3 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.1 | -74.4 | 10.9 | 0 | 0 | 0 | 112.3 | A842 S843 L848 C849 E850 | A842-N846 WeakPolarHBondContact O-CB 3.27Å; A842-N846 VanDerWaalsContact O-CG 3.25Å; A842-N846 PolarHBondContact O-N 3.39Å; A842-N846 PolarHBondContact O-OD1 3.48Å; S843-N846 PolarHBondContact O-N 2.55Å; N846-L848 PolarHBondContact O-N 3.1Å; N846-C849 CarbonylContact O-C 3.4Å; N846-C849 WeakPolarHBondContact O-CA 3.47Å; N846-C849 WeakPolarHBondContact O-CB 3.31Å; N846-C849 PolarHBondContact O-N 3.04Å; N846-E850 PolarHBondContact O-N 2.66Å |
| 847 | D | 85.6 | Confident | 77.6 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.9 | -39.9 | -179.6 | -58.3 | -23.1 | 0 | 0 | 0 | 111.4 | V749 S843 S851 | V749-D847 HydrophobicContact CG1-CB 3.71Å; S843-D847 PolarHBondContact O-N 3.33Å; D847-S851 WeakPolarHBondContact O-CB 3.14Å; D847-S851 PolarHBondContact O-N 2.7Å; D847-S851 PolarHBondContact O-OG 3.02Å |
| 848 | L | 86 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.5 | -30.4 | 176.4 | -66.6 | 168.1 | 0 | 0 | 0 | 112.8 | F746 V749 A750 V753 L755 V844 L845 N846 M852 P909 | F746-L848 HydrophobicContact CD1-CD2 4.34Å; F746-L848 HydrophobicContact CE1-CB 4.43Å; F746-L848 HydrophobicContact CE1-CD2 3.94Å; V749-L848 HydrophobicContact CG1-CD2 3.83Å; V749-L848 HydrophobicContact CG1-CG 4.22Å; A750-L848 HydrophobicContact CB-CD2 4.4Å; V753-L848 HydrophobicContact CG1-CD1 4.31Å; V753-L848 HydrophobicContact CG2-CD1 4.38Å; V753-L848 HydrophobicContact CG2-CD2 4.45Å; V753-L848 HydrophobicContact CG2-CG 4.31Å; L755-L848 HydrophobicContact CD1-CD1 3.84Å; L755-L848 HydrophobicContact CD1-CD2 3.89Å; V844-L848 HydrophobicContact CG1-CD1 4.4Å; V844-L848 WeakPolarHBondContact O-CD1 3.25Å; V844-L848 WeakPolarHBondContact O-CG 3.16Å; L845-L848 PolarHBondContact O-N 2.89Å; N846-L848 PolarHBondContact O-N 3.1Å; L848-M852 PolarHBondContact O-N 3.3Å; L848-P909 HydrophobicContact CB-CG 4.05Å |
| 849 | C | 88.4 | Confident | 81.8 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -49.4 | 175.4 | -78.1 | 0 | 0 | 0 | 0 | 111.7 | L845 N846 S851 M852 E853 E907 I912 | L845-C849 WeakPolarHBondContact O-CB 3.45Å; L845-C849 PolarHBondContact O-N 3.04Å; L845-C849 PolarHBondContact O-SG 2.94Å; N846-C849 CarbonylContact O-C 3.4Å; N846-C849 WeakPolarHBondContact O-CA 3.47Å; N846-C849 WeakPolarHBondContact O-CB 3.31Å; N846-C849 PolarHBondContact O-N 3.04Å; C849-S851 VanDerWaalsContact C-N 3.25Å; C849-S851 PolarHBondContact O-N 2.99Å; C849-M852 PolarHBondContact O-N 3.31Å; C849-M852 VanDerWaalsContact O-N 3.14Å; C849-E853 WeakPolarHBondContact O-CB 3.35Å; C849-E853 PolarHBondContact O-N 3.35Å; C849-E907 PolarHBondContact SG-O 3.25Å; C849-I912 HydrophobicContact CB-CD1 3.5Å; C849-I912 VanDerWaalsContact CB-CD1 3.5Å; C849-I912 WeakPolarHBondContact O-CD1 3.43Å |
| 850 | E | 90.7 | Very high | 83.5 | Confident | 130 Ų | 130 | 40.3 Ų | 40.3 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.8 | -38.6 | 173.5 | -68.9 | 178.5 | -159.1 | 0 | 0 | 111.1 | N846 E853 A854 | N846-E850 PolarHBondContact O-N 2.66Å; E850-E853 PolarHBondContact O-N 3.38Å; E850-A854 WeakPolarHBondContact O-CB 3.24Å; E850-A854 PolarHBondContact O-N 2.93Å |
| 851 | S | 91.3 | Very high | 85.1 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | V749 D847 C849 L855 | V749-S851 WeakPolarHBondContact CG2-OG 3.23Å; D847-S851 WeakPolarHBondContact O-CB 3.14Å; D847-S851 PolarHBondContact O-N 2.7Å; D847-S851 PolarHBondContact O-OG 3.02Å; C849-S851 VanDerWaalsContact C-N 3.25Å; C849-S851 PolarHBondContact O-N 2.99Å; S851-L855 PolarHBondContact O-N 2.79Å |
| 852 | M | 92.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 174.2 | 173.7 | 64.7 | 89.2 | 0 | 0 | 111.2 | F746 L848 C849 L855 I856 V878 L882 P909 I912 P913 | F746-M852 HydrophobicContact CE2-CB 3.81Å; F746-M852 HydrophobicContact CE2-CE 4.13Å; F746-M852 HydrophobicContact CE2-SD 4.11Å; F746-M852 HydrophobicContact CZ-CB 3.83Å; F746-M852 HydrophobicContact CZ-CE 4.35Å; L848-M852 PolarHBondContact O-N 3.3Å; C849-M852 PolarHBondContact O-N 3.31Å; C849-M852 VanDerWaalsContact O-N 3.14Å; M852-L855 WeakPolarHBondContact O-CB 3.37Å; M852-L855 PolarHBondContact O-N 3.09Å; M852-L855 VanDerWaalsContact O-N 3.15Å; M852-I856 HydrophobicContact CG-CG1 4.46Å; M852-I856 WeakPolarHBondContact O-CG1 3.05Å; M852-I856 PolarHBondContact O-N 3.04Å; M852-I856 HydrophobicContact SD-CD1 4.32Å; M852-I856 HydrophobicContact SD-CG1 4.14Å; M852-V878 HydrophobicContact CE-CG1 3.7Å; M852-L882 HydrophobicContact CE-CD1 3.63Å; M852-P909 HydrophobicContact CB-CB 4.06Å; M852-I912 HydrophobicContact CB-CD1 4.4Å; M852-I912 HydrophobicContact CG-CB 3.89Å; M852-I912 HydrophobicContact CG-CG2 4.07Å; M852-P913 HydrophobicContact CE-CG 4.15Å; M852-P913 HydrophobicContact CG-CG 4.49Å; M852-P913 HydrophobicContact SD-CG 3.96Å |
| 853 | E | 92.7 | Very high | 87 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -42.2 | -179.7 | -167.3 | 142.4 | -150 | 0 | 0 | 111 | C849 E850 L855 I856 Q857 I912 H916 | C849-E853 WeakPolarHBondContact O-CB 3.35Å; C849-E853 PolarHBondContact O-N 3.35Å; E850-E853 PolarHBondContact O-N 3.38Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.91Å; E853-I856 PolarHBondContact O-N 3.39Å; E853-Q857 WeakPolarHBondContact O-CG 3.14Å; E853-Q857 PolarHBondContact O-N 3.28Å; E853-I912 HydrophobicContact CB-CG2 4.14Å; E853-I912 HydrophobicContact CG-CG2 4.43Å; E853-H916 IonicContact OE1-CE1 3.4Å; E853-H916 PolarHBondContact OE1-CE1 3.43Å; E853-H916 VanDerWaalsContact OE1-CE1 3.29Å; E853-H916 IonicContact OE1-NE2 3.69Å |
| 854 | A | 92.3 | Very high | 87.3 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60 | -37.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | E850 A858 | E850-A854 WeakPolarHBondContact O-CB 3.24Å; E850-A854 PolarHBondContact O-N 2.93Å; A854-A858 WeakPolarHBondContact O-CB 3.28Å; A854-A858 PolarHBondContact O-N 3.42Å |
| 855 | L | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 174.2 | 179.2 | 66.1 | 0 | 0 | 0 | 112.4 | I739 A742 L743 F746 S851 M852 E853 Q857 A858 V859 T874 V878 | I739-L855 HydrophobicContact CG2-CD1 4.16Å; A742-L855 HydrophobicContact CB-CB 4.12Å; A742-L855 HydrophobicContact CB-CD1 3.88Å; L743-L855 HydrophobicContact CD2-CD1 3.65Å; L743-L855 HydrophobicContact CD2-CD2 3.6Å; L743-L855 HydrophobicContact CD2-CG 4.28Å; L743-L855 HydrophobicContact CG-CD1 3.79Å; F746-L855 HydrophobicContact CD2-CD2 4.17Å; F746-L855 HydrophobicContact CE2-CD2 4.42Å; S851-L855 PolarHBondContact O-N 2.79Å; M852-L855 WeakPolarHBondContact O-CB 3.37Å; M852-L855 PolarHBondContact O-N 3.09Å; M852-L855 VanDerWaalsContact O-N 3.15Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.91Å; L855-Q857 VanDerWaalsContact C-N 3.34Å; L855-A858 WeakPolarHBondContact O-CB 3.42Å; L855-A858 PolarHBondContact O-N 3.47Å; L855-V859 HydrophobicContact CD1-CG2 4.43Å; L855-V859 WeakPolarHBondContact O-CG2 3.29Å; L855-V859 PolarHBondContact O-N 3.21Å; L855-T874 HydrophobicContact CD1-CG2 4.39Å; L855-V878 HydrophobicContact CD2-CG2 3.28Å |
| 856 | I | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.6 | -65.7 | -52.2 | 0 | 0 | 0 | 110.6 | M852 E853 A858 V859 L860 P913 H916 L930 L933 | M852-I856 HydrophobicContact CG-CG1 4.46Å; M852-I856 WeakPolarHBondContact O-CG1 3.05Å; M852-I856 PolarHBondContact O-N 3.04Å; M852-I856 HydrophobicContact SD-CD1 4.32Å; M852-I856 HydrophobicContact SD-CG1 4.14Å; E853-I856 PolarHBondContact O-N 3.39Å; I856-A858 VanDerWaalsContact C-N 3.33Å; I856-A858 PolarHBondContact O-N 2.93Å; I856-V859 PolarHBondContact O-N 2.95Å; I856-L860 HydrophobicContact CG2-CD1 3.7Å; I856-L860 HydrophobicContact CG2-CG 4.24Å; I856-L860 WeakPolarHBondContact O-CB 3.26Å; I856-L860 WeakPolarHBondContact O-CG 3.09Å; I856-L860 PolarHBondContact O-N 3.19Å; I856-P913 HydrophobicContact CD1-CB 4.39Å; I856-P913 HydrophobicContact CD1-CG 4.08Å; I856-P913 HydrophobicContact CG1-CG 4.29Å; I856-H916 HydrophobicContact CG2-CB 4.26Å; I856-L930 HydrophobicContact CD1-CD1 3.87Å; I856-L930 HydrophobicContact CG2-CD1 4.3Å; I856-L933 HydrophobicContact CD1-CD2 3.47Å; I856-L933 VanDerWaalsContact CD1-CD2 3.47Å |
| 857 | Q | 91.9 | Very high | 88.2 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 173.3 | -66 | -61.4 | -36 | 0 | 0 | 112.5 | E853 L855 L860 V861 H916 | E853-Q857 WeakPolarHBondContact O-CG 3.14Å; E853-Q857 PolarHBondContact O-N 3.28Å; L855-Q857 VanDerWaalsContact C-N 3.34Å; Q857-L860 PolarHBondContact O-N 3.11Å; Q857-V861 WeakPolarHBondContact O-CB 3.24Å; Q857-V861 VanDerWaalsContact O-CG2 3.23Å; Q857-V861 WeakPolarHBondContact O-CG2 3.37Å; Q857-V861 PolarHBondContact O-N 3.25Å; Q857-H916 PolarHBondContact NE2-NE2 2.89Å; Q857-H916 VanDerWaalsContact NE2-NE2 3.14Å |
| 858 | A | 90.4 | Very high | 88.3 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H738 I739 A742 A854 L855 I856 L860 V861 E862 | H738-A858 HydrophobicContact CB-CB 3.91Å; I739-A858 HydrophobicContact CG1-CB 4.21Å; A742-A858 HydrophobicContact CB-CB 4.16Å; A854-A858 WeakPolarHBondContact O-CB 3.28Å; A854-A858 PolarHBondContact O-N 3.42Å; L855-A858 WeakPolarHBondContact O-CB 3.42Å; L855-A858 PolarHBondContact O-N 3.47Å; I856-A858 VanDerWaalsContact C-N 3.33Å; I856-A858 PolarHBondContact O-N 2.93Å; A858-L860 VanDerWaalsContact C-N 3.28Å; A858-L860 PolarHBondContact O-N 3.03Å; A858-V861 PolarHBondContact O-N 3.34Å; A858-V861 VanDerWaalsContact O-N 3.09Å; A858-E862 WeakPolarHBondContact O-CB 3.46Å; A858-E862 PolarHBondContact O-N 2.92Å |
| 859 | V | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.4 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | I739 L855 I856 V861 F865 T874 L933 | I739-V859 HydrophobicContact CD1-CG2 4.03Å; I739-V859 HydrophobicContact CG1-CG2 4.22Å; L855-V859 HydrophobicContact CD1-CG2 4.43Å; L855-V859 WeakPolarHBondContact O-CG2 3.29Å; L855-V859 PolarHBondContact O-N 3.21Å; I856-V859 PolarHBondContact O-N 2.95Å; V859-V861 VanDerWaalsContact C-N 3.25Å; V859-V861 PolarHBondContact O-N 3.11Å; V859-F865 HydrophobicContact CG1-CD1 3.65Å; V859-F865 HydrophobicContact CG1-CD2 4.11Å; V859-F865 HydrophobicContact CG1-CE1 3.69Å; V859-F865 HydrophobicContact CG1-CE2 4.11Å; V859-F865 HydrophobicContact CG1-CG 3.86Å; V859-F865 HydrophobicContact CG1-CZ 3.92Å; V859-F865 HydrophobicContact CG2-CD2 4.08Å; V859-F865 HydrophobicContact CG2-CE2 3.86Å; V859-F865 HydrophobicContact CG2-CZ 4.28Å; V859-T874 HydrophobicContact CG2-CG2 4.42Å; V859-L933 HydrophobicContact CG1-CD2 4.35Å; V859-L933 HydrophobicContact CG2-CD2 4.43Å |
| 860 | L | 89.8 | Confident | 88.5 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.3 | 176.6 | -66.3 | 170.3 | 0 | 0 | 0 | 113.7 | I856 Q857 A858 M920 K926 | I856-L860 HydrophobicContact CG2-CD1 3.7Å; I856-L860 HydrophobicContact CG2-CG 4.24Å; I856-L860 WeakPolarHBondContact O-CB 3.26Å; I856-L860 WeakPolarHBondContact O-CG 3.09Å; I856-L860 PolarHBondContact O-N 3.19Å; Q857-L860 PolarHBondContact O-N 3.11Å; A858-L860 VanDerWaalsContact C-N 3.28Å; A858-L860 PolarHBondContact O-N 3.03Å; L860-M920 HydrophobicContact CD1-SD 4.44Å; L860-M920 HydrophobicContact CD2-CE 3.68Å; L860-M920 HydrophobicContact CD2-SD 4.14Å; L860-K926 HydrophobicContact CD2-CB 3.89Å; L860-K926 WeakPolarHBondContact O-CE 3.29Å; L860-K926 PolarHBondContact O-NZ 2.89Å |
| 861 | V | 87.5 | Confident | 88.4 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -23.8 | -177.7 | 169.8 | 0 | 0 | 0 | 0 | 113 | Q857 A858 V859 D863 | Q857-V861 WeakPolarHBondContact O-CB 3.24Å; Q857-V861 VanDerWaalsContact O-CG2 3.23Å; Q857-V861 WeakPolarHBondContact O-CG2 3.37Å; Q857-V861 PolarHBondContact O-N 3.25Å; A858-V861 PolarHBondContact O-N 3.34Å; A858-V861 VanDerWaalsContact O-N 3.09Å; V859-V861 VanDerWaalsContact C-N 3.25Å; V859-V861 PolarHBondContact O-N 3.11Å; V861-D863 PolarHBondContact O-N 2.7Å |
| 862 | E | 84 | Confident | 88.3 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | trans | -83.5 | 105 | -179.2 | -156.6 | 82.3 | -150.8 | 0 | 0 | 111.6 | G737 H738 I739 A858 S864 F865 | G737-E862 WeakPolarHBondContact CA-OE1 3.26Å; H738-E862 VanDerWaalsContact CB-OE2 3.32Å; H738-E862 WeakPolarHBondContact CB-OE2 3.45Å; H738-E862 IonicContact CE1-OE2 3.9Å; H738-E862 IonicContact CG-OE2 3.95Å; H738-E862 PolarHBondContact N-OE2 3.5Å; H738-E862 IonicContact ND1-OE2 3.97Å; H738-E862 PolarHBondContact ND1-OE2 2.96Å; I739-E862 HydrophobicContact CD1-CB 3.75Å; I739-E862 HydrophobicContact CD1-CG 4.05Å; I739-E862 HydrophobicContact CG1-CB 3.93Å; I739-E862 HydrophobicContact CG1-CG 4.21Å; A858-E862 WeakPolarHBondContact O-CB 3.46Å; A858-E862 PolarHBondContact O-N 2.92Å; E862-S864 PolarHBondContact O-N 3.15Å; E862-F865 PolarHBondContact O-N 3.41Å; E862-F865 VanDerWaalsContact O-N 3.1Å | ||
| 863 | D | 79.3 | Confident | 88.2 | Confident | 162 Ų | 162 | 50.7 Ų | 50.7 | 87% | 0.866 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -2.3 | -177.1 | -58.6 | -49.4 | 0 | 0 | 0 | 115.5 | V861 | V861-D863 PolarHBondContact O-N 2.7Š|
| 864 | S | 80.2 | Confident | 88.1 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 1.2 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | E862 D866 D867 | E862-S864 PolarHBondContact O-N 3.15Å; S864-D866 PolarHBondContact O-N 3.29Å; S864-D867 PolarHBondContact O-N 3.33Å |
| 865 | F | 86 | Confident | 88.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.7 | -176.3 | -167.3 | -100.9 | 0 | 0 | 0 | 114.1 | I739 V859 E862 D867 I870 A871 T874 L929 L933 | I739-F865 HydrophobicContact CD1-CB 4.34Å; I739-F865 HydrophobicContact CD1-CD2 3.47Å; I739-F865 VanDerWaalsContact CD1-CD2 3.47Å; I739-F865 HydrophobicContact CD1-CE2 4.22Å; I739-F865 HydrophobicContact CD1-CG 4.29Å; V859-F865 HydrophobicContact CG1-CD1 3.65Å; V859-F865 HydrophobicContact CG1-CD2 4.11Å; V859-F865 HydrophobicContact CG1-CE1 3.69Å; V859-F865 HydrophobicContact CG1-CE2 4.11Å; V859-F865 HydrophobicContact CG1-CG 3.86Å; V859-F865 HydrophobicContact CG1-CZ 3.92Å; V859-F865 HydrophobicContact CG2-CD2 4.08Å; V859-F865 HydrophobicContact CG2-CE2 3.86Å; V859-F865 HydrophobicContact CG2-CZ 4.28Å; E862-F865 PolarHBondContact O-N 3.41Å; E862-F865 VanDerWaalsContact O-N 3.1Å; F865-D867 PolarHBondContact O-N 2.96Å; F865-D867 VanDerWaalsContact O-N 3.08Å; F865-I870 HydrophobicContact CD2-CG2 4.15Å; F865-A871 HydrophobicContact CE1-CB 3.87Å; F865-A871 HydrophobicContact CE2-CB 4.08Å; F865-A871 HydrophobicContact CZ-CB 3.61Å; F865-T874 HydrophobicContact CE2-CG2 4.07Å; F865-L929 HydrophobicContact CD1-CB 4.25Å; F865-L929 WeakPolarHBondContact CE1-O 3.29Å; F865-L933 HydrophobicContact CE1-CB 3.81Å; F865-L933 HydrophobicContact CZ-CB 3.75Å; F865-L933 HydrophobicContact CZ-CD1 3.92Å; F865-L933 HydrophobicContact CZ-CG 4.28Å |
| 866 | D | 82.1 | Confident | 87.9 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.9 | 172.8 | -58.9 | 44.6 | 0 | 0 | 0 | 113.6 | S864 L868 L929 | S864-D866 PolarHBondContact O-N 3.29Å; D866-L868 PolarHBondContact O-N 2.95Å; D866-L929 VanDerWaalsContact OD1-CD2 3.24Å; D866-L929 WeakPolarHBondContact OD1-CD2 3.49Å |
| 867 | D | 86.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -72.2 | 115 | 173.6 | -170.1 | -28.2 | 0 | 0 | 0 | 110.8 | S864 F865 E869 I870 A871 | S864-D867 PolarHBondContact O-N 3.33Å; F865-D867 PolarHBondContact O-N 2.96Å; F865-D867 VanDerWaalsContact O-N 3.08Å; D867-E869 PolarHBondContact O-N 3.41Å; D867-E869 VanDerWaalsContact O-N 3.09Å; D867-E869 WeakPolarHBondContact OD1-CB 3.43Å; D867-E869 PolarHBondContact OD1-N 2.93Å; D867-I870 HydrophobicContact CB-CB 4.19Å; D867-I870 HydrophobicContact CB-CD1 4.08Å; D867-I870 HydrophobicContact CB-CG1 4.07Å; D867-I870 WeakPolarHBondContact O-CA 3.45Å; D867-I870 WeakPolarHBondContact O-CB 3.42Å; D867-I870 PolarHBondContact O-N 3.09Å; D867-A871 PolarHBondContact O-N 3.36Å |
| 868 | L | 87.6 | Confident | 87.6 | Confident | 94 Ų | 94 | 40.5 Ų | 40.5 | 49% | 0.492 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.8 | -29.1 | 177 | -172.2 | 66.9 | 0 | 0 | 0 | 113.2 | D866 G872 L932 E936 | D866-L868 PolarHBondContact O-N 2.95Å; L868-G872 PolarHBondContact O-N 3.31Å; L868-L932 HydrophobicContact CD1-CD1 3.9Å; L868-E936 HydrophobicContact CD1-CG 3.89Å |
| 869 | E | 87.7 | Confident | 87.5 | Confident | 119 Ų | 119 | 40.3 Ų | 40.3 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -76.6 | -24.2 | 175.6 | -142.2 | -161.3 | -154.3 | 0 | 0 | 112.5 | D867 R873 | D867-E869 PolarHBondContact O-N 3.41Å; D867-E869 VanDerWaalsContact O-N 3.09Å; D867-E869 WeakPolarHBondContact OD1-CB 3.43Å; D867-E869 PolarHBondContact OD1-N 2.93Å; E869-R873 VanDerWaalsContact CG-NH1 3.27Å; E869-R873 WeakPolarHBondContact O-CB 3.19Å; E869-R873 WeakPolarHBondContact O-CG 3.48Å; E869-R873 PolarHBondContact O-N 3.45Å; E869-R873 PolarHBondContact O-NH1 3.44Å; E869-R873 IonicContact OE1-NH2 3.37Å; E869-R873 PolarHBondContact OE1-NH2 3.23Å; E869-R873 IonicContact OE2-CZ 3.19Å; E869-R873 IonicContact OE2-NH1 3.93Å; E869-R873 PolarHBondContact OE2-NH1 3.4Å; E869-R873 IonicContact OE2-NH2 3.41Å; E869-R873 PolarHBondContact OE2-NH2 2.95Å |
| 870 | I | 89.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 18% | 0.179 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -82.1 | -46.4 | 172.2 | -67 | 179.8 | 0 | 0 | 0 | 109.8 | L735 F865 D867 G872 R873 T874 | L735-I870 HydrophobicContact CD2-CB 4.46Å; L735-I870 HydrophobicContact CD2-CG2 3.98Å; F865-I870 HydrophobicContact CD2-CG2 4.15Å; D867-I870 HydrophobicContact CB-CB 4.19Å; D867-I870 HydrophobicContact CB-CD1 4.08Å; D867-I870 HydrophobicContact CB-CG1 4.07Å; D867-I870 WeakPolarHBondContact O-CA 3.45Å; D867-I870 WeakPolarHBondContact O-CB 3.42Å; D867-I870 PolarHBondContact O-N 3.09Å; I870-G872 PolarHBondContact O-N 2.89Å; I870-R873 PolarHBondContact O-N 3.3Å; I870-T874 WeakPolarHBondContact O-CB 3.5Å; I870-T874 PolarHBondContact O-N 2.92Å; I870-T874 PolarHBondContact O-OG1 3.42Å |
| 871 | A | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F865 D867 R873 T874 A875 L932 E936 | F865-A871 HydrophobicContact CE1-CB 3.87Å; F865-A871 HydrophobicContact CE2-CB 4.08Å; F865-A871 HydrophobicContact CZ-CB 3.61Å; D867-A871 PolarHBondContact O-N 3.36Å; A871-R873 PolarHBondContact O-N 2.91Å; A871-T874 PolarHBondContact O-N 3.5Å; A871-A875 WeakPolarHBondContact O-CB 3.42Å; A871-A875 PolarHBondContact O-N 2.98Å; A871-L932 HydrophobicContact CB-CD2 4.06Å; A871-L932 HydrophobicContact CB-CG 3.99Å; A871-E936 HydrophobicContact CB-CG 4.5Å |
| 872 | G | 88.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L868 I870 A876 E936 R940 | L868-G872 PolarHBondContact O-N 3.31Å; I870-G872 PolarHBondContact O-N 2.89Å; G872-A876 VanDerWaalsContact O-CB 3.25Å; G872-A876 WeakPolarHBondContact O-CB 3.37Å; G872-A876 PolarHBondContact O-N 3.4Å; G872-E936 WeakPolarHBondContact CA-OE2 3.38Å; G872-R940 VanDerWaalsContact O-CZ 3.26Å; G872-R940 PolarHBondContact O-NE 3.26Å; G872-R940 VanDerWaalsContact O-NE 3.09Å; G872-R940 PolarHBondContact O-NH2 2.95Å |
| 873 | R | 90.7 | Very high | 86.6 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 170.3 | -79.3 | -177.6 | -171.5 | 97.2 | -3.4 | 111.7 | L731 L735 E869 I870 A871 A876 V877 | L731-R873 HydrophobicContact CD2-CG 4.32Å; L735-R873 HydrophobicContact CD1-CB 4.11Å; L735-R873 HydrophobicContact CD2-CB 3.93Å; L735-R873 HydrophobicContact CG-CB 4.18Å; E869-R873 VanDerWaalsContact CG-NH1 3.27Å; E869-R873 WeakPolarHBondContact O-CB 3.19Å; E869-R873 WeakPolarHBondContact O-CG 3.48Å; E869-R873 PolarHBondContact O-N 3.45Å; E869-R873 PolarHBondContact O-NH1 3.44Å; E869-R873 IonicContact OE1-NH2 3.37Å; E869-R873 PolarHBondContact OE1-NH2 3.23Å; E869-R873 IonicContact OE2-CZ 3.19Å; E869-R873 IonicContact OE2-NH1 3.93Å; E869-R873 PolarHBondContact OE2-NH1 3.4Å; E869-R873 IonicContact OE2-NH2 3.41Å; E869-R873 PolarHBondContact OE2-NH2 2.95Å; I870-R873 PolarHBondContact O-N 3.3Å; A871-R873 PolarHBondContact O-N 2.91Å; R873-A876 PolarHBondContact O-N 3.3Å; R873-V877 WeakPolarHBondContact O-CG2 3.44Å; R873-V877 PolarHBondContact O-N 3Å; R873-V877 VanDerWaalsContact O-N 3.09Å |
| 874 | T | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | I739 L743 L855 V859 F865 I870 A871 A876 V877 V878 L933 | I739-T874 HydrophobicContact CG2-CG2 3.94Å; L743-T874 HydrophobicContact CD1-CG2 4.3Å; L743-T874 HydrophobicContact CD2-CG2 4.48Å; L855-T874 HydrophobicContact CD1-CG2 4.39Å; V859-T874 HydrophobicContact CG2-CG2 4.42Å; F865-T874 HydrophobicContact CE2-CG2 4.07Å; I870-T874 WeakPolarHBondContact O-CB 3.5Å; I870-T874 PolarHBondContact O-N 2.92Å; I870-T874 PolarHBondContact O-OG1 3.42Å; A871-T874 PolarHBondContact O-N 3.5Å; T874-A876 VanDerWaalsContact C-N 3.34Å; T874-A876 PolarHBondContact O-N 3.46Å; T874-V877 PolarHBondContact O-N 3Å; T874-V878 WeakPolarHBondContact O-CG2 3.44Å; T874-V878 PolarHBondContact O-N 3.2Å; T874-L933 HydrophobicContact CG2-CD1 4.23Å |
| 875 | A | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A871 V877 V878 C879 L933 E936 M937 | A871-A875 WeakPolarHBondContact O-CB 3.42Å; A871-A875 PolarHBondContact O-N 2.98Å; A875-V877 VanDerWaalsContact C-N 3.34Å; A875-V877 PolarHBondContact O-N 2.72Å; A875-V878 PolarHBondContact O-N 2.89Å; A875-C879 WeakPolarHBondContact O-CB 3.19Å; A875-C879 PolarHBondContact O-N 3.43Å; A875-C879 PolarHBondContact O-SG 3.14Å; A875-C879 VanDerWaalsContact O-SG 3.4Å; A875-L933 HydrophobicContact CB-CD1 4.21Å; A875-E936 VanDerWaalsContact CB-C 3.45Å; A875-E936 HydrophobicContact CB-CB 3.71Å; A875-E936 WeakPolarHBondContact CB-O 3.08Å; A875-M937 HydrophobicContact CB-CB 4.43Å; A875-M937 HydrophobicContact CB-CG 3.65Å |
| 876 | A | 88.5 | Confident | 85.4 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.033 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V726 L731 G872 R873 T874 E880 | V726-A876 HydrophobicContact CG2-CB 4.49Å; L731-A876 HydrophobicContact CD1-CB 3.53Å; G872-A876 VanDerWaalsContact O-CB 3.25Å; G872-A876 WeakPolarHBondContact O-CB 3.37Å; G872-A876 PolarHBondContact O-N 3.4Å; R873-A876 PolarHBondContact O-N 3.3Å; T874-A876 VanDerWaalsContact C-N 3.34Å; T874-A876 PolarHBondContact O-N 3.46Å; A876-E880 WeakPolarHBondContact O-CB 3.4Å; A876-E880 PolarHBondContact O-N 3.35Å |
| 877 | V | 89.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -53.9 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | V728 L731 I732 L743 R873 T874 A875 C879 E880 L881 | V728-V877 HydrophobicContact CG1-CG1 4.16Å; L731-V877 HydrophobicContact CB-CG2 3.64Å; L731-V877 HydrophobicContact CD1-CG2 3.85Å; L731-V877 HydrophobicContact CG-CG2 4.43Å; I732-V877 HydrophobicContact CD1-CG1 4Å; I732-V877 HydrophobicContact CG1-CG1 4.1Å; I732-V877 HydrophobicContact CG1-CG2 3.92Å; L743-V877 HydrophobicContact CB-CG1 4.43Å; L743-V877 HydrophobicContact CD1-CB 4.26Å; L743-V877 HydrophobicContact CD1-CG1 4.31Å; L743-V877 HydrophobicContact CD1-CG2 4.38Å; L743-V877 HydrophobicContact CD2-CB 4.2Å; L743-V877 HydrophobicContact CD2-CG1 3.79Å; L743-V877 HydrophobicContact CG-CG1 4.41Å; R873-V877 WeakPolarHBondContact O-CG2 3.44Å; R873-V877 PolarHBondContact O-N 3Å; R873-V877 VanDerWaalsContact O-N 3.09Å; T874-V877 PolarHBondContact O-N 3Å; A875-V877 VanDerWaalsContact C-N 3.34Å; A875-V877 PolarHBondContact O-N 2.72Å; V877-C879 PolarHBondContact O-N 2.7Å; V877-E880 PolarHBondContact O-N 3.41Å; V877-E880 VanDerWaalsContact O-N 3.11Å; V877-L881 HydrophobicContact CG1-CD1 3.99Å; V877-L881 HydrophobicContact CG1-CD2 4.25Å; V877-L881 HydrophobicContact CG1-CG 3.86Å; V877-L881 VanDerWaalsContact O-CG 3.31Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 3.24Å |
| 878 | V | 89.9 | Confident | 83 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | -176.9 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | L743 M852 L855 T874 A875 E880 L881 L882 M937 | L743-V878 HydrophobicContact CD2-CG2 4.06Å; M852-V878 HydrophobicContact CE-CG1 3.7Å; L855-V878 HydrophobicContact CD2-CG2 3.28Å; T874-V878 WeakPolarHBondContact O-CG2 3.44Å; T874-V878 PolarHBondContact O-N 3.2Å; A875-V878 PolarHBondContact O-N 2.89Å; V878-E880 VanDerWaalsContact C-N 3.3Å; V878-E880 PolarHBondContact O-N 3.13Å; V878-L881 PolarHBondContact O-N 2.63Å; V878-L882 WeakPolarHBondContact O-CB 3.45Å; V878-L882 PolarHBondContact O-N 3.01Å; V878-M937 HydrophobicContact CB-SD 4.45Å; V878-M937 HydrophobicContact CG1-CE 3.64Å; V878-M937 HydrophobicContact CG1-SD 3.95Å |
| 879 | C | 87.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.1 | -30.2 | 178.7 | -72.8 | 0 | 0 | 0 | 0 | 113.2 | A875 V877 F883 Q941 | A875-C879 WeakPolarHBondContact O-CB 3.19Å; A875-C879 PolarHBondContact O-N 3.43Å; A875-C879 PolarHBondContact O-SG 3.14Å; A875-C879 VanDerWaalsContact O-SG 3.4Å; V877-C879 PolarHBondContact O-N 2.7Å; C879-F883 VanDerWaalsContact O-CA 3.28Å; C879-F883 WeakPolarHBondContact O-CA 3.46Å; C879-F883 WeakPolarHBondContact O-CB 3.39Å; C879-F883 PolarHBondContact O-N 2.65Å; C879-F883 VanDerWaalsContact O-N 3.12Å; C879-Q941 HydrophobicContact CB-CB 4.49Å |
| 880 | E | 83.9 | Confident | 79.7 | Confident | 32 Ų | 32 | 21 Ų | 21 | 15% | 0.15 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -78.8 | -42.5 | 172.9 | -173.1 | 69.5 | -122.8 | 0 | 0 | 111.2 | R718 V726 V728 A876 V877 V878 L882 F883 | R718-E880 IonicContact CZ-OE1 3.96Å; R718-E880 VanDerWaalsContact CZ-OE1 3.29Å; R718-E880 IonicContact CZ-OE2 3.38Å; R718-E880 VanDerWaalsContact NH1-CD 3.29Å; R718-E880 IonicContact NH1-OE1 3.44Å; R718-E880 PolarHBondContact NH1-OE1 3.44Å; R718-E880 IonicContact NH1-OE2 2.66Å; R718-E880 PolarHBondContact NH1-OE2 3.28Å; R718-E880 IonicContact NH2-OE1 2.68Å; R718-E880 PolarHBondContact NH2-OE1 2.9Å; R718-E880 IonicContact NH2-OE2 2.75Å; V726-E880 PolarHBondContact N-OE2 3.02Å; V728-E880 HydrophobicContact CG2-CB 4.05Å; V728-E880 HydrophobicContact CG2-CG 3.6Å; A876-E880 WeakPolarHBondContact O-CB 3.4Å; A876-E880 PolarHBondContact O-N 3.35Å; V877-E880 PolarHBondContact O-N 3.41Å; V877-E880 VanDerWaalsContact O-N 3.11Å; V878-E880 VanDerWaalsContact C-N 3.3Å; V878-E880 PolarHBondContact O-N 3.13Å; E880-L882 VanDerWaalsContact C-N 3.32Å; E880-L882 PolarHBondContact O-N 3.38Å; E880-F883 WeakPolarHBondContact O-CB 3.25Å; E880-F883 PolarHBondContact O-N 3.35Å |
| 881 | L | 84.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 175.2 | -64.4 | -170.2 | 0 | 0 | 0 | 111.8 | V728 F746 R747 I756 V877 V878 | V728-L881 HydrophobicContact CG1-CD2 3.98Å; V728-L881 HydrophobicContact CG2-CD2 4.42Å; F746-L881 HydrophobicContact CB-CD1 3.86Å; F746-L881 HydrophobicContact CD1-CD1 4.07Å; F746-L881 HydrophobicContact CD2-CD1 3.91Å; F746-L881 HydrophobicContact CG-CD1 3.64Å; R747-L881 HydrophobicContact CB-CD2 4.07Å; R747-L881 HydrophobicContact CG-CD2 4.49Å; I756-L881 HydrophobicContact CD1-CD2 3.32Å; V877-L881 HydrophobicContact CG1-CD1 3.99Å; V877-L881 HydrophobicContact CG1-CD2 4.25Å; V877-L881 HydrophobicContact CG1-CG 3.86Å; V877-L881 VanDerWaalsContact O-CG 3.31Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 3.24Å; V878-L881 PolarHBondContact O-N 2.63Å |
| 882 | L | 84.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 13.7 | -177.3 | -60.5 | -168.1 | 0 | 0 | 0 | 113.9 | F746 M852 V878 E880 C884 L885 F886 P909 I910 | F746-L882 HydrophobicContact CE1-CD2 3.86Å; F746-L882 HydrophobicContact CZ-CD1 4Å; F746-L882 HydrophobicContact CZ-CD2 3.78Å; F746-L882 HydrophobicContact CZ-CG 4.01Å; M852-L882 HydrophobicContact CE-CD1 3.63Å; V878-L882 WeakPolarHBondContact O-CB 3.45Å; V878-L882 PolarHBondContact O-N 3.01Å; E880-L882 VanDerWaalsContact C-N 3.32Å; E880-L882 PolarHBondContact O-N 3.38Å; L882-C884 PolarHBondContact O-N 2.93Å; L882-C884 VanDerWaalsContact O-N 3.13Å; L882-L885 HydrophobicContact CB-CD1 4.48Å; L882-L885 HydrophobicContact CD2-CD1 3.94Å; L882-L885 WeakPolarHBondContact O-CB 3.43Å; L882-L885 PolarHBondContact O-N 3.25Å; L882-F886 HydrophobicContact CB-CD2 4.32Å; L882-F886 HydrophobicContact CB-CE2 3.97Å; L882-F886 WeakPolarHBondContact O-CD2 3.48Å; L882-F886 PolarHBondContact O-N 2.94Å; L882-P909 HydrophobicContact CD1-CB 4.24Å; L882-P909 HydrophobicContact CD1-CG 4.09Å; L882-P909 HydrophobicContact CD2-CG 4.22Å; L882-I910 HydrophobicContact CB-CG2 4.3Å; L882-I910 HydrophobicContact CD1-CG2 3.71Å |
| 883 | F | 78.9 | Confident | 74.6 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -51.5 | -41.7 | -175.9 | -176.2 | -108.1 | 0 | 0 | 0 | 113.1 | D714 I717 R718 V723 C879 E880 L885 F886 A887 | D714-F883 VanDerWaalsContact OD1-CE1 3.32Å; D714-F883 WeakPolarHBondContact OD1-CE1 3.43Å; I717-F883 HydrophobicContact CB-CE1 4.07Å; I717-F883 HydrophobicContact CB-CZ 3.65Å; I717-F883 HydrophobicContact CD1-CE1 4.22Å; I717-F883 HydrophobicContact CG2-CE1 4.08Å; I717-F883 HydrophobicContact CG2-CE2 3.92Å; I717-F883 HydrophobicContact CG2-CZ 3.37Å; R718-F883 HydrophobicContact CG-CE1 4.14Å; R718-F883 HydrophobicContact CG-CE2 4.19Å; R718-F883 HydrophobicContact CG-CZ 3.55Å; V723-F883 HydrophobicContact CB-CE2 4Å; V723-F883 HydrophobicContact CG1-CD2 4.24Å; V723-F883 HydrophobicContact CG1-CE2 3.85Å; V723-F883 HydrophobicContact CG2-CE2 4.21Å; C879-F883 VanDerWaalsContact O-CA 3.28Å; C879-F883 WeakPolarHBondContact O-CA 3.46Å; C879-F883 WeakPolarHBondContact O-CB 3.39Å; C879-F883 PolarHBondContact O-N 2.65Å; C879-F883 VanDerWaalsContact O-N 3.12Å; E880-F883 WeakPolarHBondContact O-CB 3.25Å; E880-F883 PolarHBondContact O-N 3.35Å; F883-L885 PolarHBondContact O-N 2.89Å; F883-F886 PolarHBondContact O-N 2.72Å; F883-A887 WeakPolarHBondContact O-CB 3.47Å; F883-A887 PolarHBondContact O-N 3.5Å |
| 884 | C | 70.2 | Confident | 72.7 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 35% | 0.345 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.8 | -16 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 114.8 | L755 L882 Q888 | L755-C884 HydrophobicContact CD2-CB 3.91Å; L882-C884 PolarHBondContact O-N 2.93Å; L882-C884 VanDerWaalsContact O-N 3.13Å; C884-Q888 WeakPolarHBondContact O-CB 3.2Å; C884-Q888 VanDerWaalsContact O-CG 3.23Å; C884-Q888 WeakPolarHBondContact O-CG 3.33Å; C884-Q888 PolarHBondContact O-N 2.97Å; C884-Q888 PolarHBondContact O-NE2 3.33Å |
| 885 | L | 75.7 | Confident | 70.9 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -87.1 | -44.3 | 176.1 | -57.6 | -172.6 | 0 | 0 | 0 | 111.1 | L882 F883 A887 Q888 F908 P909 I910 | L882-L885 HydrophobicContact CB-CD1 4.48Å; L882-L885 HydrophobicContact CD2-CD1 3.94Å; L882-L885 WeakPolarHBondContact O-CB 3.43Å; L882-L885 PolarHBondContact O-N 3.25Å; F883-L885 PolarHBondContact O-N 2.89Å; L885-A887 PolarHBondContact O-N 2.81Å; L885-Q888 WeakPolarHBondContact O-CB 3.49Å; L885-Q888 PolarHBondContact O-N 2.6Å; L885-F908 HydrophobicContact CD1-CD1 4.32Å; L885-F908 HydrophobicContact CD2-CD1 4.07Å; L885-F908 HydrophobicContact CD2-CE1 4.26Å; L885-P909 HydrophobicContact CD1-CG 3.52Å; L885-I910 HydrophobicContact CB-CG2 4.13Å; L885-I910 HydrophobicContact CD1-CG2 4.38Å |
| 886 | F | 75.5 | Confident | 69.3 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -28.6 | 171 | -64.8 | -67.5 | 0 | 0 | 0 | 113 | L882 F883 I910 M937 Q941 R943 L944 | L882-F886 HydrophobicContact CB-CD2 4.32Å; L882-F886 HydrophobicContact CB-CE2 3.97Å; L882-F886 WeakPolarHBondContact O-CD2 3.48Å; L882-F886 PolarHBondContact O-N 2.94Å; F883-F886 PolarHBondContact O-N 2.72Å; F886-I910 HydrophobicContact CD1-CG2 4.31Å; F886-I910 HydrophobicContact CE1-CB 4.08Å; F886-I910 HydrophobicContact CE1-CG2 3.8Å; F886-I910 HydrophobicContact CE2-CG2 4.05Å; F886-I910 HydrophobicContact CZ-CB 4.21Å; F886-I910 HydrophobicContact CZ-CG2 3.66Å; F886-M937 HydrophobicContact CZ-CE 3.93Å; F886-Q941 HydrophobicContact CB-CG 3.83Å; F886-Q941 HydrophobicContact CD1-CG 3.71Å; F886-Q941 HydrophobicContact CD2-CG 3.85Å; F886-Q941 HydrophobicContact CE1-CG 4.18Å; F886-Q941 HydrophobicContact CE2-CG 4.3Å; F886-Q941 HydrophobicContact CG-CG 3.53Å; F886-Q941 HydrophobicContact CZ-CG 4.44Å; F886-R943 VanDerWaalsContact O-CD 3.26Å; F886-R943 WeakPolarHBondContact O-CD 3.22Å; F886-R943 PolarHBondContact O-NH1 3.43Å; F886-L944 HydrophobicContact CE1-CD1 3.76Å; F886-L944 HydrophobicContact CZ-CD1 4.24Å |
| 887 | A | 61.4 | Low | 68.3 | Low | 32 Ų | 32 | 42.9 Ų | 42.9 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I717 F883 L885 | I717-A887 HydrophobicContact CD1-CB 3.45Å; I717-A887 VanDerWaalsContact CD1-CB 3.45Å; I717-A887 HydrophobicContact CG1-CB 4.08Å; I717-A887 HydrophobicContact CG2-CB 4.1Å; F883-A887 WeakPolarHBondContact O-CB 3.47Å; F883-A887 PolarHBondContact O-N 3.5Å; L885-A887 PolarHBondContact O-N 2.81Å |
| 888 | Q | 55.4 | Low | 67.3 | Low | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82.7 | 147.8 | -177.9 | -103.6 | 172.7 | 76 | 0 | 0 | 111.6 | C884 L885 L890 | C884-Q888 WeakPolarHBondContact O-CB 3.2Å; C884-Q888 VanDerWaalsContact O-CG 3.23Å; C884-Q888 WeakPolarHBondContact O-CG 3.33Å; C884-Q888 PolarHBondContact O-N 2.97Å; C884-Q888 PolarHBondContact O-NE2 3.33Å; L885-Q888 WeakPolarHBondContact O-CB 3.49Å; L885-Q888 PolarHBondContact O-N 2.6Å; Q888-L890 PolarHBondContact O-N 3.49Å |
| 889 | R | 53.2 | Low | 66.4 | Low | 181 Ų | 181 | 49.9 Ų | 49.9 | 68% | 0.683 | 27% | 0.268 | S | S | * | . | trans | -70 | 86.5 | 157.3 | -67.4 | 179.5 | -179.9 | 160.9 | 0.3 | 108.1 | M891 | R889-M891 PolarHBondContact O-N 2.83Š| ||
| 890 | L | 54.4 | Low | 65.7 | Low | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | trans | -45 | -49.1 | 162.6 | -77.5 | 151.6 | 0 | 0 | 0 | 109.7 | R840 Q888 C905 F908 I910 F911 H947 | R840-L890 PolarHBondContact NH2-O 2.83Å; Q888-L890 PolarHBondContact O-N 3.49Å; L890-C905 PolarHBondContact O-SG 3.27Å; L890-F908 HydrophobicContact CD2-CB 4.09Å; L890-F908 HydrophobicContact CD2-CD1 4.18Å; L890-F908 HydrophobicContact CD2-CD2 3.55Å; L890-F908 HydrophobicContact CD2-CE2 3.98Å; L890-F908 HydrophobicContact CD2-CG 3.67Å; L890-F908 HydrophobicContact CD2-CZ 4.47Å; L890-I910 HydrophobicContact CD1-CD1 3.81Å; L890-I910 HydrophobicContact CD2-CD1 4.08Å; L890-I910 HydrophobicContact CG-CD1 4.48Å; L890-F911 HydrophobicContact CD1-CZ 4.09Å; L890-F911 HydrophobicContact CD2-CE2 3.81Å; L890-F911 HydrophobicContact CD2-CZ 4.2Å; L890-H947 WeakPolarHBondContact CD1-CD2 3.2Å; L890-H947 WeakPolarHBondContact CD1-NE2 3.31Å | ||
| 891 | M | 58 | Low | 65.2 | Low | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.044 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -59.6 | 119.3 | 174.9 | -58.1 | -54.5 | -76.4 | 0 | 0 | 111.7 | R889 W897 L902 F950 N992 L995 | R889-M891 PolarHBondContact O-N 2.83Å; M891-W897 HydrophobicContact CB-CZ2 4.13Å; M891-W897 HydrophobicContact CE-CD2 3.76Å; M891-W897 HydrophobicContact CE-CE3 3.63Å; M891-W897 HydrophobicContact CE-CH2 3.32Å; M891-W897 HydrophobicContact CE-CZ2 3.45Å; M891-W897 VanDerWaalsContact CE-CZ2 3.45Å; M891-W897 HydrophobicContact CE-CZ3 3.42Å; M891-W897 VanDerWaalsContact CE-CZ3 3.42Å; M891-W897 HydrophobicContact CG-CZ2 4.48Å; M891-L902 HydrophobicContact CE-CD2 3.39Å; M891-L902 HydrophobicContact SD-CD2 4.07Å; M891-F950 HydrophobicContact CE-CE2 3.97Å; M891-F950 HydrophobicContact SD-CD2 4.18Å; M891-F950 HydrophobicContact SD-CE2 3.18Å; M891-F950 WeakPolarHBondContact SD-CE2 3.37Å; M891-F950 HydrophobicContact SD-CZ 3.45Å; M891-F950 WeakPolarHBondContact SD-CZ 3.26Å; M891-N992 WeakPolarHBondContact CB-ND2 3.47Å; M891-N992 VanDerWaalsContact CG-ND2 3.33Å; M891-N992 WeakPolarHBondContact CG-ND2 3.33Å; M891-L995 HydrophobicContact CE-CB 4.37Å; M891-L995 HydrophobicContact CE-CD1 3.81Å; M891-L995 HydrophobicContact CE-CD2 4.45Å; M891-L995 HydrophobicContact CE-CG 4.41Å; M891-L995 HydrophobicContact CG-CB 4.3Å; M891-L995 HydrophobicContact CG-CD2 3.82Å; M891-L995 HydrophobicContact SD-CD1 4.23Å; M891-L995 HydrophobicContact SD-CD2 3.93Å |
| 892 | P | 52.2 | Low | 64.8 | Low | 30 Ų | 30 | 58.9 Ų | 58.9 | 20% | 0.195 | 31% | 0.31 | C | S | . | . | trans | -62.9 | 142.3 | -179.4 | 24.4 | -32.1 | 0 | 0 | 0 | 111 | G894 W897 H901 | P892-G894 PolarHBondContact O-N 3.33Å; P892-W897 PolarHBondContact O-NE1 2.83Å; P892-H901 HydrophobicContact CG-CB 4.42Å | ||
| 893 | V | 50.8 | Low | 64.5 | Low | 128 Ų | 128 | 62.5 Ų | 62.5 | 78% | 0.776 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -78.6 | 59.6 | 179.2 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 894 | G | 50.4 | Low | 64.5 | Low | 35 Ų | 35 | 66.2 Ų | 66.2 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | trans | -109.9 | 155.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P892 R994 | P892-G894 PolarHBondContact O-N 3.33Å; G894-R994 PolarHBondContact O-NH1 2.87Å | ||
| 895 | V | 52.7 | Low | 64.9 | Low | 128 Ų | 128 | 63.8 Ų | 63.8 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -70.4 | -38.9 | 173.4 | -179 | 0 | 0 | 0 | 0 | 110.3 | R994 | V895-R994 VanDerWaalsContact O-CZ 3.31Å; V895-R994 PolarHBondContact O-NH1 2.97Å; V895-R994 PolarHBondContact O-NH2 3.48Å |
| 896 | E | 56.7 | Low | 65.2 | Low | 169 Ų | 169 | 64.4 Ų | 64.4 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -117 | 142.6 | 177.8 | -64.9 | 172.6 | 169.2 | 0 | 0 | 108.9 | ||
| 897 | W | 68.1 | Low | 65.5 | Low | 46 Ų | 46 | 69.5 Ų | 69.5 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | trans | -106.7 | 119.6 | 165.7 | -61.4 | -29 | 0 | 0 | 0 | 105.7 | M891 P892 L902 R994 L995 Y998 | M891-W897 HydrophobicContact CB-CZ2 4.13Å; M891-W897 HydrophobicContact CE-CD2 3.76Å; M891-W897 HydrophobicContact CE-CE3 3.63Å; M891-W897 HydrophobicContact CE-CH2 3.32Å; M891-W897 HydrophobicContact CE-CZ2 3.45Å; M891-W897 VanDerWaalsContact CE-CZ2 3.45Å; M891-W897 HydrophobicContact CE-CZ3 3.42Å; M891-W897 VanDerWaalsContact CE-CZ3 3.42Å; M891-W897 HydrophobicContact CG-CZ2 4.48Å; P892-W897 PolarHBondContact O-NE1 2.83Å; W897-L902 HydrophobicContact CB-CD1 4.24Å; W897-L902 HydrophobicContact CB-CD2 4.15Å; W897-L902 HydrophobicContact CB-CG 4.19Å; W897-L902 HydrophobicContact CD2-CD2 4.27Å; W897-L902 HydrophobicContact CE3-CD2 4.45Å; W897-L902 HydrophobicContact CG-CD2 4.16Å; W897-R994 HydrophobicContact CH2-CB 3.9Å; W897-R994 HydrophobicContact CH2-CG 3.49Å; W897-R994 VanDerWaalsContact CH2-CG 3.49Å; W897-R994 HydrophobicContact CZ2-CB 4.36Å; W897-R994 HydrophobicContact CZ2-CG 3.97Å; W897-R994 HydrophobicContact CZ3-CG 4Å; W897-L995 HydrophobicContact CH2-CB 4.13Å; W897-Y998 HydrophobicContact CZ3-CG 4.2Å | ||
| 898 | S | 67.6 | Low | 66.5 | Low | 39 Ų | 39 | 68.2 Ų | 68.2 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | trans | -83.6 | 160.6 | 160 | 73.2 | 0 | 0 | 0 | 0 | 108.7 | E900 H901 L902 | S898-E900 VanDerWaalsContact C-N 3.28Å; S898-E900 PolarHBondContact O-N 3.47Å; S898-E900 PolarHBondContact OG-OE2 3.31Å; S898-E900 VanDerWaalsContact OG-OE2 3.13Å; S898-H901 PolarHBondContact O-N 3.38Å; S898-H901 PolarHBondContact OG-N 3.5Å; S898-H901 PolarHBondContact OG-ND1 2.86Å; S898-L902 PolarHBondContact O-N 3.02Å | ||
| 899 | E | 72.8 | Confident | 68 | Low | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 178.4 | -151.8 | 171.3 | -138.7 | 0 | 0 | 111.1 | H901 L902 E903 K956 | E899-H901 PolarHBondContact O-N 3.06Å; E899-L902 WeakPolarHBondContact O-CA 3.45Å; E899-L902 WeakPolarHBondContact O-CB 3.41Å; E899-L902 PolarHBondContact O-N 3.12Å; E899-E903 PolarHBondContact O-N 3.33Å; E899-K956 VanDerWaalsContact OE1-CE 3.26Å; E899-K956 WeakPolarHBondContact OE1-CE 3.42Å; E899-K956 IonicContact OE1-NZ 2.67Å; E899-K956 PolarHBondContact OE1-NZ 3.05Å; E899-K956 WeakPolarHBondContact OE2-CE 3.44Å; E899-K956 IonicContact OE2-NZ 3.1Å; E899-K956 PolarHBondContact OE2-NZ 3.28Å |
| 900 | E | 72.3 | Confident | 69.6 | Low | 131 Ų | 131 | 58.1 Ų | 58.1 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -52.7 | -50.9 | 173 | -54.5 | 155.4 | 139 | 0 | 0 | 111.8 | S898 L902 E903 D904 | S898-E900 VanDerWaalsContact C-N 3.28Å; S898-E900 PolarHBondContact O-N 3.47Å; S898-E900 PolarHBondContact OG-OE2 3.31Å; S898-E900 VanDerWaalsContact OG-OE2 3.13Å; E900-L902 PolarHBondContact O-N 3.04Å; E900-L902 VanDerWaalsContact O-N 3.09Å; E900-E903 PolarHBondContact O-N 3.26Å; E900-E903 VanDerWaalsContact O-N 3.1Å; E900-D904 VanDerWaalsContact O-CG 3.29Å; E900-D904 PolarHBondContact O-N 3.26Å |
| 901 | H | 72.7 | Confident | 71.3 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -13.6 | 179.2 | -69.1 | 103.6 | 0 | 0 | 0 | 113.9 | P892 S898 E899 C905 | P892-H901 HydrophobicContact CG-CB 4.42Å; S898-H901 PolarHBondContact O-N 3.38Å; S898-H901 PolarHBondContact OG-N 3.5Å; S898-H901 PolarHBondContact OG-ND1 2.86Å; E899-H901 PolarHBondContact O-N 3.06Å; H901-C905 PolarHBondContact O-SG 3.21Å |
| 902 | L | 76.6 | Confident | 72.8 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -92.3 | -36.9 | 173.4 | -64.4 | 179.8 | 0 | 0 | 0 | 111.1 | M891 W897 S898 E899 E900 C905 I954 Y998 | M891-L902 HydrophobicContact CE-CD2 3.39Å; M891-L902 HydrophobicContact SD-CD2 4.07Å; W897-L902 HydrophobicContact CB-CD1 4.24Å; W897-L902 HydrophobicContact CB-CD2 4.15Å; W897-L902 HydrophobicContact CB-CG 4.19Å; W897-L902 HydrophobicContact CD2-CD2 4.27Å; W897-L902 HydrophobicContact CE3-CD2 4.45Å; W897-L902 HydrophobicContact CG-CD2 4.16Å; S898-L902 PolarHBondContact O-N 3.02Å; E899-L902 WeakPolarHBondContact O-CA 3.45Å; E899-L902 WeakPolarHBondContact O-CB 3.41Å; E899-L902 PolarHBondContact O-N 3.12Å; E900-L902 PolarHBondContact O-N 3.04Å; E900-L902 VanDerWaalsContact O-N 3.09Å; L902-C905 WeakPolarHBondContact O-CB 3.38Å; L902-C905 PolarHBondContact O-N 3.32Å; L902-C905 VanDerWaalsContact O-N 3.11Å; L902-I954 HydrophobicContact CB-CD1 3.8Å; L902-I954 HydrophobicContact CB-CG1 4.14Å; L902-I954 HydrophobicContact CB-CG2 4.18Å; L902-I954 HydrophobicContact CD1-CD1 4.47Å; L902-Y998 HydrophobicContact CD1-CE1 4.04Å |
| 903 | E | 79.2 | Confident | 74.6 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 171.7 | -70.6 | 172.7 | 179.6 | 0 | 0 | 111.5 | E899 E900 C905 L906 I954 K956 | E899-E903 PolarHBondContact O-N 3.33Å; E900-E903 PolarHBondContact O-N 3.26Å; E900-E903 VanDerWaalsContact O-N 3.1Å; E903-C905 PolarHBondContact O-N 3.5Å; E903-C905 VanDerWaalsContact O-N 3.09Å; E903-L906 WeakPolarHBondContact O-CB 3.35Å; E903-L906 PolarHBondContact O-N 3.43Å; E903-I954 HydrophobicContact CG-CG2 3.76Å; E903-K956 WeakPolarHBondContact OE1-CD 3.38Å; E903-K956 VanDerWaalsContact OE1-CE 3.29Å; E903-K956 WeakPolarHBondContact OE1-CE 3.44Å; E903-K956 IonicContact OE1-NZ 3.31Å; E903-K956 PolarHBondContact OE1-NZ 2.91Å |
| 904 | D | 78.5 | Confident | 76.5 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -48.1 | -36.6 | 167.5 | -72 | -11.2 | 0 | 0 | 0 | 111.7 | E900 L906 E907 | E900-D904 VanDerWaalsContact O-CG 3.29Å; E900-D904 PolarHBondContact O-N 3.26Å; D904-L906 VanDerWaalsContact C-N 3.26Å; D904-L906 PolarHBondContact O-N 3.46Å; D904-E907 PolarHBondContact O-N 2.75Å |
| 905 | C | 78.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -80.1 | -5.4 | -177.1 | -63.4 | 0 | 0 | 0 | 0 | 113.2 | L890 H901 L902 E903 E907 F908 F911 F950 | L890-C905 PolarHBondContact O-SG 3.27Å; H901-C905 PolarHBondContact O-SG 3.21Å; L902-C905 WeakPolarHBondContact O-CB 3.38Å; L902-C905 PolarHBondContact O-N 3.32Å; L902-C905 VanDerWaalsContact O-N 3.11Å; E903-C905 PolarHBondContact O-N 3.5Å; E903-C905 VanDerWaalsContact O-N 3.09Å; C905-E907 VanDerWaalsContact C-N 3.34Å; C905-F908 WeakPolarHBondContact O-CD2 3.32Å; C905-F911 WeakPolarHBondContact O-CE2 3.49Å; C905-F950 HydrophobicContact CB-CZ 4.32Å |
| 906 | L | 82.1 | Confident | 80 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -87.3 | -1.5 | 171.1 | -55.6 | -167.3 | 0 | 0 | 0 | 113 | E903 D904 R915 F950 F951 I954 | E903-L906 WeakPolarHBondContact O-CB 3.35Å; E903-L906 PolarHBondContact O-N 3.43Å; D904-L906 VanDerWaalsContact C-N 3.26Å; D904-L906 PolarHBondContact O-N 3.46Å; L906-R915 PolarHBondContact O-NH2 3.09Å; L906-F950 HydrophobicContact CD2-CD1 4.11Å; L906-F950 HydrophobicContact CD2-CE1 3.75Å; L906-F951 HydrophobicContact CB-CD2 4.33Å; L906-F951 HydrophobicContact CB-CE2 4.14Å; L906-F951 HydrophobicContact CD1-CD2 4.13Å; L906-F951 HydrophobicContact CD1-CE2 4.06Å; L906-F951 HydrophobicContact CD2-CD2 3.88Å; L906-F951 HydrophobicContact CD2-CE2 4.48Å; L906-F951 HydrophobicContact CG-CD2 4.34Å; L906-F951 HydrophobicContact CG-CE2 4.47Å; L906-I954 HydrophobicContact CD1-CB 3.98Å; L906-I954 HydrophobicContact CD1-CG2 3.7Å; L906-I954 HydrophobicContact CD2-CB 4.31Å; L906-I954 HydrophobicContact CD2-CD1 4.43Å; L906-I954 HydrophobicContact CD2-CG2 4.41Å; L906-I954 HydrophobicContact CG-CB 4.39Å; L906-I954 HydrophobicContact CG-CG2 4.01Å |
| 907 | E | 81.4 | Confident | 81.5 | Confident | 108 Ų | 108 | 38.9 Ų | 38.9 | 51% | 0.505 | 18% | 0.183 | S | C | . | . | trans | -82.4 | -7.7 | 178.2 | -60.6 | -164.1 | 142.1 | 0 | 0 | 114.5 | L845 C849 D904 C905 | L845-E907 HydrophobicContact CD2-CB 3.91Å; C849-E907 PolarHBondContact SG-O 3.25Å; D904-E907 PolarHBondContact O-N 2.75Å; C905-E907 VanDerWaalsContact C-N 3.34Å | ||
| 908 | F | 83.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -68.5 | 143.4 | 177.7 | -72.6 | -99 | 0 | 0 | 0 | 111.9 | R840 L845 L885 L890 C905 I910 F911 | R840-F908 HydrophobicContact CG-CZ 4.28Å; L845-F908 HydrophobicContact CD1-CD1 3.65Å; L845-F908 HydrophobicContact CD1-CE1 3.86Å; L845-F908 HydrophobicContact CD1-CG 4.18Å; L885-F908 HydrophobicContact CD1-CD1 4.32Å; L885-F908 HydrophobicContact CD2-CD1 4.07Å; L885-F908 HydrophobicContact CD2-CE1 4.26Å; L890-F908 HydrophobicContact CD2-CB 4.09Å; L890-F908 HydrophobicContact CD2-CD1 4.18Å; L890-F908 HydrophobicContact CD2-CD2 3.55Å; L890-F908 HydrophobicContact CD2-CE2 3.98Å; L890-F908 HydrophobicContact CD2-CG 3.67Å; L890-F908 HydrophobicContact CD2-CZ 4.47Å; C905-F908 WeakPolarHBondContact O-CD2 3.32Å; F908-I910 HydrophobicContact CB-CG1 4.13Å; F908-I910 PolarHBondContact O-N 3.49Å; F908-F911 HydrophobicContact CB-CD2 3.97Å; F908-F911 HydrophobicContact CB-CE2 4.04Å; F908-F911 WeakPolarHBondContact O-CD2 3.41Å; F908-F911 PolarHBondContact O-N 2.95Å |
| 909 | P | 85.5 | Confident | 83 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -60.3 | -26 | -172.1 | 22.3 | -35.3 | 0 | 0 | 0 | 114.2 | L848 M852 L882 L885 F911 I912 | L848-P909 HydrophobicContact CB-CG 4.05Å; M852-P909 HydrophobicContact CB-CB 4.06Å; L882-P909 HydrophobicContact CD1-CB 4.24Å; L882-P909 HydrophobicContact CD1-CG 4.09Å; L882-P909 HydrophobicContact CD2-CG 4.22Å; L885-P909 HydrophobicContact CD1-CG 3.52Å; P909-F911 PolarHBondContact O-N 2.94Å; P909-I912 PolarHBondContact O-N 2.97Å; P909-I912 VanDerWaalsContact O-N 3.09Å |
| 910 | I | 88.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -56.9 | -18.8 | 174.7 | 64.7 | -177.7 | 0 | 0 | 0 | 113.8 | L882 L885 F886 L890 F908 | L882-I910 HydrophobicContact CB-CG2 4.3Å; L882-I910 HydrophobicContact CD1-CG2 3.71Å; L885-I910 HydrophobicContact CB-CG2 4.13Å; L885-I910 HydrophobicContact CD1-CG2 4.38Å; F886-I910 HydrophobicContact CD1-CG2 4.31Å; F886-I910 HydrophobicContact CE1-CB 4.08Å; F886-I910 HydrophobicContact CE1-CG2 3.8Å; F886-I910 HydrophobicContact CE2-CG2 4.05Å; F886-I910 HydrophobicContact CZ-CB 4.21Å; F886-I910 HydrophobicContact CZ-CG2 3.66Å; L890-I910 HydrophobicContact CD1-CD1 3.81Å; L890-I910 HydrophobicContact CD2-CD1 4.08Å; L890-I910 HydrophobicContact CG-CD1 4.48Å; F908-I910 HydrophobicContact CB-CG1 4.13Å; F908-I910 PolarHBondContact O-N 3.49Å |
| 911 | F | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -96.5 | -11.4 | -179.9 | -60.3 | -64 | 0 | 0 | 0 | 114.2 | L890 C905 F908 P909 F914 R915 H947 F950 F951 | L890-F911 HydrophobicContact CD1-CZ 4.09Å; L890-F911 HydrophobicContact CD2-CE2 3.81Å; L890-F911 HydrophobicContact CD2-CZ 4.2Å; C905-F911 WeakPolarHBondContact O-CE2 3.49Å; F908-F911 HydrophobicContact CB-CD2 3.97Å; F908-F911 HydrophobicContact CB-CE2 4.04Å; F908-F911 WeakPolarHBondContact O-CD2 3.41Å; F908-F911 PolarHBondContact O-N 2.95Å; P909-F911 PolarHBondContact O-N 2.94Å; F911-F914 AromaticContact CD1-CD2 3.78Å; F911-F914 HydrophobicContact CD1-CD2 3.78Å; F911-F914 AromaticContact CD1-CE2 3.93Å; F911-F914 HydrophobicContact CD1-CE2 3.93Å; F911-F914 HydrophobicContact CE1-CE2 4.35Å; F911-F914 PolarHBondContact O-N 2.81Å; F911-F914 VanDerWaalsContact O-N 3.08Å; F911-R915 WeakPolarHBondContact O-CG 3.43Å; F911-R915 PolarHBondContact O-N 3.22Å; F911-H947 HydrophobicContact CE1-CB 4.17Å; F911-F950 HydrophobicContact CE1-CD1 4.03Å; F911-F950 AromaticContact CZ-CD1 3.81Å; F911-F950 HydrophobicContact CZ-CD1 3.81Å; F911-F950 AromaticContact CZ-CE1 3.95Å; F911-F950 HydrophobicContact CZ-CE1 3.95Å; F911-F951 HydrophobicContact CB-CD2 3.64Å; F911-F951 HydrophobicContact CB-CE2 3.8Å; F911-F951 HydrophobicContact CD1-CB 3.9Å; F911-F951 AromaticContact CD1-CD2 3.53Å; F911-F951 HydrophobicContact CD1-CD2 3.53Å; F911-F951 HydrophobicContact CD1-CG 4.08Å; F911-F951 HydrophobicContact CE1-CB 4.14Å; F911-F951 HydrophobicContact CE1-CD2 4.36Å; F911-F951 AromaticContact CG-CD2 3.74Å; F911-F951 HydrophobicContact CG-CD2 3.74Å; F911-F951 HydrophobicContact CG-CE2 4.34Å |
| 912 | I | 90.3 | Very high | 84 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 178.5 | -69 | 176.6 | 0 | 0 | 0 | 113 | C849 M852 E853 P909 F914 R915 H916 | C849-I912 HydrophobicContact CB-CD1 3.5Å; C849-I912 VanDerWaalsContact CB-CD1 3.5Å; C849-I912 WeakPolarHBondContact O-CD1 3.43Å; M852-I912 HydrophobicContact CB-CD1 4.4Å; M852-I912 HydrophobicContact CG-CB 3.89Å; M852-I912 HydrophobicContact CG-CG2 4.07Å; E853-I912 HydrophobicContact CB-CG2 4.14Å; E853-I912 HydrophobicContact CG-CG2 4.43Å; P909-I912 PolarHBondContact O-N 2.97Å; P909-I912 VanDerWaalsContact O-N 3.09Å; I912-F914 VanDerWaalsContact C-N 3.32Å; I912-F914 PolarHBondContact O-N 2.75Å; I912-R915 WeakPolarHBondContact O-CB 3.42Å; I912-R915 PolarHBondContact O-N 2.82Å; I912-H916 PolarHBondContact O-N 3.44Å; I912-H916 PolarHBondContact O-ND1 3.01Å |
| 913 | P | 90.5 | Very high | 84 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | 169.7 | -27.7 | 36.9 | 0 | 0 | 0 | 112.9 | M852 I856 H916 L917 L930 L934 | M852-P913 HydrophobicContact CE-CG 4.15Å; M852-P913 HydrophobicContact CG-CG 4.49Å; M852-P913 HydrophobicContact SD-CG 3.96Å; I856-P913 HydrophobicContact CD1-CB 4.39Å; I856-P913 HydrophobicContact CD1-CG 4.08Å; I856-P913 HydrophobicContact CG1-CG 4.29Å; P913-H916 PolarHBondContact O-N 2.68Å; P913-L917 WeakPolarHBondContact O-CB 3.45Å; P913-L917 PolarHBondContact O-N 3.1Å; P913-L930 HydrophobicContact CB-CD1 4.22Å; P913-L934 HydrophobicContact CB-CD1 4.44Å; P913-L934 HydrophobicContact CB-CD2 3.78Å; P913-L934 HydrophobicContact CB-CG 4.34Å |
| 914 | F | 90.5 | Very high | 84.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -33.3 | 177.6 | -53.5 | -27.2 | 0 | 0 | 0 | 112.7 | F911 I912 L917 L918 L934 L944 H947 L948 F951 | F911-F914 AromaticContact CD1-CD2 3.78Å; F911-F914 HydrophobicContact CD1-CD2 3.78Å; F911-F914 AromaticContact CD1-CE2 3.93Å; F911-F914 HydrophobicContact CD1-CE2 3.93Å; F911-F914 HydrophobicContact CE1-CE2 4.35Å; F911-F914 PolarHBondContact O-N 2.81Å; F911-F914 VanDerWaalsContact O-N 3.08Å; I912-F914 VanDerWaalsContact C-N 3.32Å; I912-F914 PolarHBondContact O-N 2.75Å; F914-L917 PolarHBondContact O-N 3.48Å; F914-L918 PolarHBondContact O-N 3.43Å; F914-L934 HydrophobicContact CD1-CD1 3.89Å; F914-L934 HydrophobicContact CD1-CD2 4.04Å; F914-L934 HydrophobicContact CE1-CD1 4.06Å; F914-L934 HydrophobicContact CE1-CD2 3.62Å; F914-L934 HydrophobicContact CE1-CG 4.47Å; F914-L944 HydrophobicContact CE1-CD1 4.18Å; F914-L944 HydrophobicContact CE1-CG 4.38Å; F914-L944 HydrophobicContact CZ-CD1 3.63Å; F914-L944 HydrophobicContact CZ-CG 4.01Å; F914-H947 HydrophobicContact CE2-CB 4.18Å; F914-L948 HydrophobicContact CB-CD1 4.23Å; F914-L948 HydrophobicContact CD1-CD1 3.84Å; F914-L948 HydrophobicContact CD2-CB 4.46Å; F914-L948 HydrophobicContact CD2-CD1 4.01Å; F914-L948 HydrophobicContact CE1-CB 4.06Å; F914-L948 HydrophobicContact CE1-CD1 4.12Å; F914-L948 HydrophobicContact CE2-CB 3.94Å; F914-L948 HydrophobicContact CE2-CD1 4.34Å; F914-L948 HydrophobicContact CG-CD1 3.78Å; F914-L948 HydrophobicContact CZ-CB 3.72Å; F914-L948 HydrophobicContact CZ-CD1 4.38Å; F914-F951 HydrophobicContact CB-CD1 3.98Å; F914-F951 HydrophobicContact CB-CE1 4.28Å; F914-F951 HydrophobicContact CB-CG 4.2Å; F914-F951 HydrophobicContact CD2-CB 3.83Å; F914-F951 HydrophobicContact CD2-CD1 4.48Å; F914-F951 HydrophobicContact CD2-CD2 4.45Å; F914-F951 AromaticContact CD2-CG 3.98Å; F914-F951 HydrophobicContact CD2-CG 3.98Å; F914-F951 HydrophobicContact CE2-CB 4.44Å |
| 915 | R | 88.4 | Confident | 84.3 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.8 | -69.2 | 174.3 | -178.9 | -157.4 | -3.9 | 110.7 | L906 F911 I912 L918 Q919 F951 | L906-R915 PolarHBondContact O-NH2 3.09Å; F911-R915 WeakPolarHBondContact O-CG 3.43Å; F911-R915 PolarHBondContact O-N 3.22Å; I912-R915 WeakPolarHBondContact O-CB 3.42Å; I912-R915 PolarHBondContact O-N 2.82Å; R915-L918 PolarHBondContact O-N 3.04Å; R915-Q919 WeakPolarHBondContact O-CG 3.28Å; R915-Q919 PolarHBondContact O-N 3.28Å; R915-F951 HydrophobicContact CG-CE2 4Å; R915-F951 HydrophobicContact CG-CZ 3.67Å |
| 916 | H | 88 | Confident | 84.6 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.046 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.5 | -77.5 | 73.6 | 0 | 0 | 0 | 111.6 | E853 I856 Q857 I912 P913 L918 Q919 M920 L930 | E853-H916 IonicContact OE1-CE1 3.4Å; E853-H916 PolarHBondContact OE1-CE1 3.43Å; E853-H916 VanDerWaalsContact OE1-CE1 3.29Å; E853-H916 IonicContact OE1-NE2 3.69Å; I856-H916 HydrophobicContact CG2-CB 4.26Å; Q857-H916 PolarHBondContact NE2-NE2 2.89Å; Q857-H916 VanDerWaalsContact NE2-NE2 3.14Å; I912-H916 PolarHBondContact O-N 3.44Å; I912-H916 PolarHBondContact O-ND1 3.01Å; P913-H916 PolarHBondContact O-N 2.68Å; H916-L918 PolarHBondContact O-N 2.83Å; H916-Q919 PolarHBondContact O-N 2.67Å; H916-M920 VanDerWaalsContact O-CG 3.28Å; H916-M920 WeakPolarHBondContact O-CG 3.22Å; H916-M920 PolarHBondContact O-N 3.18Å; H916-L930 HydrophobicContact CB-CD2 3.62Å |
| 917 | L | 88.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -22.9 | 179.1 | -173 | 65.8 | 0 | 0 | 0 | 114.3 | P913 F914 R927 L930 L931 L934 I964 | P913-L917 WeakPolarHBondContact O-CB 3.45Å; P913-L917 PolarHBondContact O-N 3.1Å; F914-L917 PolarHBondContact O-N 3.48Å; L917-R927 HydrophobicContact CD1-CG 3.66Å; L917-R927 PolarHBondContact O-NE 2.96Å; L917-R927 PolarHBondContact O-NH2 3.42Å; L917-L930 HydrophobicContact CB-CD2 4Å; L917-L931 HydrophobicContact CD1-CD2 3.78Å; L917-L931 HydrophobicContact CD1-CG 3.83Å; L917-L931 HydrophobicContact CD2-CD2 3.81Å; L917-L931 HydrophobicContact CG-CD2 4.44Å; L917-L934 HydrophobicContact CD2-CD1 3.81Å; L917-I964 HydrophobicContact CD2-CG2 3.48Å; L917-I964 VanDerWaalsContact CD2-CG2 3.48Å; L917-I964 HydrophobicContact CG-CG2 3.88Å |
| 918 | L | 83.4 | Confident | 85.2 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -89.3 | -23.6 | 174 | -97.3 | 157 | 0 | 0 | 0 | 114.6 | F914 R915 H916 F951 L952 V957 I964 | F914-L918 PolarHBondContact O-N 3.43Å; R915-L918 PolarHBondContact O-N 3.04Å; H916-L918 PolarHBondContact O-N 2.83Å; L918-F951 HydrophobicContact CD1-CD1 4.11Å; L918-F951 HydrophobicContact CD1-CE1 3.52Å; L918-L952 HydrophobicContact CD1-CD2 4.24Å; L918-V957 HydrophobicContact CD2-CG1 4.49Å; L918-I964 HydrophobicContact CB-CD1 4.5Å; L918-I964 HydrophobicContact CD1-CD1 4.48Å; L918-I964 HydrophobicContact CD2-CD1 3.35Å; L918-I964 HydrophobicContact CG-CD1 3.47Å; L918-I964 VanDerWaalsContact CG-CD1 3.47Å |
| 919 | Q | 83.8 | Confident | 85.5 | Confident | 150 Ų | 150 | 48.8 Ų | 48.8 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -89.7 | -26.2 | 178.2 | -71.1 | 171.5 | -0.9 | 0 | 0 | 112.3 | R915 H916 | R915-Q919 WeakPolarHBondContact O-CG 3.28Å; R915-Q919 PolarHBondContact O-N 3.28Å; H916-Q919 PolarHBondContact O-N 2.67Å |
| 920 | M | 83 | Confident | 85.8 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -75.5 | 134.8 | 177.5 | -65.4 | 172.2 | 78.5 | 0 | 0 | 111.3 | L860 H916 K926 R927 L930 | L860-M920 HydrophobicContact CD1-SD 4.44Å; L860-M920 HydrophobicContact CD2-CE 3.68Å; L860-M920 HydrophobicContact CD2-SD 4.14Å; H916-M920 VanDerWaalsContact O-CG 3.28Å; H916-M920 WeakPolarHBondContact O-CG 3.22Å; H916-M920 PolarHBondContact O-N 3.18Å; M920-K926 HydrophobicContact CE-CB 3.48Å; M920-K926 VanDerWaalsContact CE-CB 3.48Å; M920-R927 HydrophobicContact CB-CG 4.4Å; M920-R927 HydrophobicContact CE-CB 4.33Å; M920-L930 HydrophobicContact SD-CD2 3.79Å |
| 921 | N | 79.9 | Confident | 86 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 67% | 0.674 | 27% | 0.269 | S | S | * | . | trans | -59.3 | 142.3 | 178.4 | -78.2 | -36.7 | 0 | 0 | 0 | 111 | G923 D924 | N921-G923 PolarHBondContact O-N 3.15Å; N921-D924 HydrophobicContact CB-CB 4.47Å; N921-D924 WeakPolarHBondContact O-CB 3.14Å; N921-D924 PolarHBondContact O-N 3.31Å | ||
| 922 | P | 75.7 | Confident | 86.1 | Confident | 102 Ų | 102 | 51 Ų | 51 | 66% | 0.662 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.5 | -174.8 | -29.1 | 36.3 | 0 | 0 | 0 | 116.4 | ||
| 923 | G | 75.6 | Confident | 86.2 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 77% | 0.773 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 15.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N921 | N921-G923 PolarHBondContact O-N 3.15Š|
| 924 | D | 82.1 | Confident | 86.3 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | trans | -72.9 | 120 | 168.3 | -179.3 | -10.5 | 0 | 0 | 0 | 109 | N921 K926 R927 | N921-D924 HydrophobicContact CB-CB 4.47Å; N921-D924 WeakPolarHBondContact O-CB 3.14Å; N921-D924 PolarHBondContact O-N 3.31Å; D924-K926 PolarHBondContact O-N 3.25Å; D924-K926 VanDerWaalsContact O-N 3.14Å; D924-K926 WeakPolarHBondContact OD1-CB 3.32Å; D924-K926 PolarHBondContact OD1-N 2.94Å; D924-R927 WeakPolarHBondContact O-CB 3.4Å; D924-R927 PolarHBondContact O-N 3.08Å | ||
| 925 | P | 82.2 | Confident | 86.3 | Confident | 103 Ų | 103 | 51.4 Ų | 51.4 | 67% | 0.669 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.8 | -179.8 | 25.2 | -35.2 | 0 | 0 | 0 | 113 | R927 E928 | P925-R927 PolarHBondContact O-N 3.24Å; P925-E928 PolarHBondContact O-N 2.94Å |
| 926 | K | 85.5 | Confident | 86.5 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -18.5 | 175.3 | -60.2 | -168.8 | 174 | -155.2 | 0 | 112.7 | L860 M920 D924 E928 L929 L930 | L860-K926 HydrophobicContact CD2-CB 3.89Å; L860-K926 WeakPolarHBondContact O-CE 3.29Å; L860-K926 PolarHBondContact O-NZ 2.89Å; M920-K926 HydrophobicContact CE-CB 3.48Å; M920-K926 VanDerWaalsContact CE-CB 3.48Å; D924-K926 PolarHBondContact O-N 3.25Å; D924-K926 VanDerWaalsContact O-N 3.14Å; D924-K926 WeakPolarHBondContact OD1-CB 3.32Å; D924-K926 PolarHBondContact OD1-N 2.94Å; K926-E928 VanDerWaalsContact C-N 3.3Å; K926-L929 WeakPolarHBondContact O-CB 3.35Å; K926-L929 PolarHBondContact O-N 3.17Å; K926-L930 PolarHBondContact O-N 3.31Å |
| 927 | R | 88.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 176.1 | -161.1 | -178.9 | -163.7 | -136.3 | 1.4 | 111.6 | L917 M920 D924 P925 L930 L931 | L917-R927 HydrophobicContact CD1-CG 3.66Å; L917-R927 PolarHBondContact O-NE 2.96Å; L917-R927 PolarHBondContact O-NH2 3.42Å; M920-R927 HydrophobicContact CB-CG 4.4Å; M920-R927 HydrophobicContact CE-CB 4.33Å; D924-R927 WeakPolarHBondContact O-CB 3.4Å; D924-R927 PolarHBondContact O-N 3.08Å; P925-R927 PolarHBondContact O-N 3.24Å; R927-L930 PolarHBondContact O-N 3.26Å; R927-L931 WeakPolarHBondContact O-CG 3.13Å; R927-L931 PolarHBondContact O-N 2.92Å |
| 928 | E | 88.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 176.1 | -61 | -54.7 | 138.8 | 0 | 0 | 111.6 | P925 K926 L930 L931 L932 | P925-E928 PolarHBondContact O-N 2.94Å; K926-E928 VanDerWaalsContact C-N 3.3Å; E928-L930 VanDerWaalsContact C-N 3.32Å; E928-L930 PolarHBondContact O-N 2.67Å; E928-L931 PolarHBondContact O-N 3.46Å; E928-L932 WeakPolarHBondContact O-CB 3.33Å; E928-L932 PolarHBondContact O-N 3.16Å |
| 929 | L | 90.7 | Very high | 86.9 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 173.6 | -53.5 | -177.2 | 0 | 0 | 0 | 111.7 | F865 D866 K926 L932 L933 | F865-L929 HydrophobicContact CD1-CB 4.25Å; F865-L929 WeakPolarHBondContact CE1-O 3.29Å; D866-L929 VanDerWaalsContact OD1-CD2 3.24Å; D866-L929 WeakPolarHBondContact OD1-CD2 3.49Å; K926-L929 WeakPolarHBondContact O-CB 3.35Å; K926-L929 PolarHBondContact O-N 3.17Å; L929-L932 PolarHBondContact O-N 3.45Å; L929-L933 PolarHBondContact O-N 2.88Å |
| 930 | L | 91 | Very high | 87 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.5 | -34.6 | 176.1 | -172.9 | 56.8 | 0 | 0 | 0 | 112.3 | I856 P913 H916 L917 M920 K926 R927 E928 L933 L934 | I856-L930 HydrophobicContact CD1-CD1 3.87Å; I856-L930 HydrophobicContact CG2-CD1 4.3Å; P913-L930 HydrophobicContact CB-CD1 4.22Å; H916-L930 HydrophobicContact CB-CD2 3.62Å; L917-L930 HydrophobicContact CB-CD2 4Å; M920-L930 HydrophobicContact SD-CD2 3.79Å; K926-L930 PolarHBondContact O-N 3.31Å; R927-L930 PolarHBondContact O-N 3.26Å; E928-L930 VanDerWaalsContact C-N 3.32Å; E928-L930 PolarHBondContact O-N 2.67Å; L930-L933 HydrophobicContact CD1-CD2 4.4Å; L930-L934 WeakPolarHBondContact O-CB 3.28Å; L930-L934 VanDerWaalsContact O-CG 3.26Å; L930-L934 WeakPolarHBondContact O-CG 3.49Å; L930-L934 PolarHBondContact O-N 3.25Å; L930-L934 VanDerWaalsContact O-N 3.09Å |
| 931 | L | 91.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 169.7 | -74.2 | 173 | 0 | 0 | 0 | 111.7 | L917 R927 E928 L934 T935 F968 | L917-L931 HydrophobicContact CD1-CD2 3.78Å; L917-L931 HydrophobicContact CD1-CG 3.83Å; L917-L931 HydrophobicContact CD2-CD2 3.81Å; L917-L931 HydrophobicContact CG-CD2 4.44Å; R927-L931 WeakPolarHBondContact O-CG 3.13Å; R927-L931 PolarHBondContact O-N 2.92Å; E928-L931 PolarHBondContact O-N 3.46Å; L931-L934 CarbonylContact O-C 3.58Å; L931-L934 PolarHBondContact O-N 3.21Å; L931-L934 VanDerWaalsContact O-N 3.16Å; L931-T935 PolarHBondContact O-N 2.91Å; L931-T935 PolarHBondContact O-OG1 3.05Å; L931-F968 HydrophobicContact CD2-CB 4.29Å; L931-F968 HydrophobicContact CD2-CD2 4.49Å |
| 932 | L | 91.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.7 | 178.7 | 62.7 | 0 | 0 | 0 | 111.7 | L868 A871 E928 L929 L934 T935 E936 | L868-L932 HydrophobicContact CD1-CD1 3.9Å; A871-L932 HydrophobicContact CB-CD2 4.06Å; A871-L932 HydrophobicContact CB-CG 3.99Å; E928-L932 WeakPolarHBondContact O-CB 3.33Å; E928-L932 PolarHBondContact O-N 3.16Å; L929-L932 PolarHBondContact O-N 3.45Å; L932-L934 VanDerWaalsContact C-N 3.29Å; L932-L934 PolarHBondContact O-N 2.89Å; L932-T935 PolarHBondContact O-N 3.14Å; L932-E936 PolarHBondContact O-N 2.81Å |
| 933 | L | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 172.9 | 175.3 | 60.6 | 0 | 0 | 0 | 111.3 | I856 V859 F865 T874 A875 L929 L930 E936 M937 | I856-L933 HydrophobicContact CD1-CD2 3.47Å; I856-L933 VanDerWaalsContact CD1-CD2 3.47Å; V859-L933 HydrophobicContact CG1-CD2 4.35Å; V859-L933 HydrophobicContact CG2-CD2 4.43Å; F865-L933 HydrophobicContact CE1-CB 3.81Å; F865-L933 HydrophobicContact CZ-CB 3.75Å; F865-L933 HydrophobicContact CZ-CD1 3.92Å; F865-L933 HydrophobicContact CZ-CG 4.28Å; T874-L933 HydrophobicContact CG2-CD1 4.23Å; A875-L933 HydrophobicContact CB-CD1 4.21Å; L929-L933 PolarHBondContact O-N 2.88Å; L930-L933 HydrophobicContact CD1-CD2 4.4Å; L933-E936 PolarHBondContact O-N 3.25Å; L933-M937 HydrophobicContact CD1-CG 4.17Å; L933-M937 HydrophobicContact CD1-SD 4.05Å; L933-M937 HydrophobicContact CG-SD 4.03Å; L933-M937 WeakPolarHBondContact O-CB 3.28Å; L933-M937 VanDerWaalsContact O-CG 3.25Å; L933-M937 WeakPolarHBondContact O-CG 3.37Å; L933-M937 PolarHBondContact O-N 3.19Å |
| 934 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -38.9 | -179.5 | -74.6 | 173.2 | 0 | 0 | 0 | 112.8 | P913 F914 L917 L930 L931 L932 M937 Q938 L944 F968 | P913-L934 HydrophobicContact CB-CD1 4.44Å; P913-L934 HydrophobicContact CB-CD2 3.78Å; P913-L934 HydrophobicContact CB-CG 4.34Å; F914-L934 HydrophobicContact CD1-CD1 3.89Å; F914-L934 HydrophobicContact CD1-CD2 4.04Å; F914-L934 HydrophobicContact CE1-CD1 4.06Å; F914-L934 HydrophobicContact CE1-CD2 3.62Å; F914-L934 HydrophobicContact CE1-CG 4.47Å; L917-L934 HydrophobicContact CD2-CD1 3.81Å; L930-L934 WeakPolarHBondContact O-CB 3.28Å; L930-L934 VanDerWaalsContact O-CG 3.26Å; L930-L934 WeakPolarHBondContact O-CG 3.49Å; L930-L934 PolarHBondContact O-N 3.25Å; L930-L934 VanDerWaalsContact O-N 3.09Å; L931-L934 CarbonylContact O-C 3.58Å; L931-L934 PolarHBondContact O-N 3.21Å; L931-L934 VanDerWaalsContact O-N 3.16Å; L932-L934 VanDerWaalsContact C-N 3.29Å; L932-L934 PolarHBondContact O-N 2.89Å; L934-M937 PolarHBondContact O-N 2.94Å; L934-Q938 PolarHBondContact O-N 3.44Å; L934-L944 HydrophobicContact CD2-CD2 3.98Å; L934-L944 VanDerWaalsContact O-CD2 3.29Å; L934-L944 WeakPolarHBondContact O-CD2 3.38Å; L934-F968 HydrophobicContact CB-CD2 4.18Å; L934-F968 HydrophobicContact CB-CE2 3.81Å |
| 935 | T | 91.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 171.6 | -67.7 | 0 | 0 | 0 | 0 | 110 | L931 L932 M937 Q938 T939 S971 | L931-T935 PolarHBondContact O-N 2.91Å; L931-T935 PolarHBondContact O-OG1 3.05Å; L932-T935 PolarHBondContact O-N 3.14Å; T935-M937 VanDerWaalsContact C-N 3.26Å; T935-M937 PolarHBondContact O-N 2.63Å; T935-Q938 WeakPolarHBondContact O-CA 3.06Å; T935-Q938 PolarHBondContact O-N 3.17Å; T935-T939 PolarHBondContact O-N 2.97Å; T935-S971 WeakPolarHBondContact CG2-O 3.32Å; T935-S971 PolarHBondContact OG1-O 2.76Å; T935-S971 PolarHBondContact OG1-OG 3.19Å |
| 936 | E | 91 | Very high | 89.5 | Confident | 23 Ų | 23 | 26.9 Ų | 26.9 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -22.3 | 178.4 | -91.3 | -59.9 | 98 | 0 | 0 | 114.1 | L868 A871 G872 A875 L932 L933 T939 R940 | L868-E936 HydrophobicContact CD1-CG 3.89Å; A871-E936 HydrophobicContact CB-CG 4.5Å; G872-E936 WeakPolarHBondContact CA-OE2 3.38Å; A875-E936 VanDerWaalsContact CB-C 3.45Å; A875-E936 HydrophobicContact CB-CB 3.71Å; A875-E936 WeakPolarHBondContact CB-O 3.08Å; L932-E936 PolarHBondContact O-N 2.81Å; L933-E936 PolarHBondContact O-N 3.25Å; E936-T939 WeakPolarHBondContact CA-OG1 3.43Å; E936-T939 PolarHBondContact O-OG1 3.18Å; E936-T939 VanDerWaalsContact O-OG1 3.05Å; E936-T939 PolarHBondContact OE1-OG1 3.29Å; E936-R940 WeakPolarHBondContact O-CD 3.31Å; E936-R940 WeakPolarHBondContact O-CG 3.37Å; E936-R940 IonicContact OE2-CZ 2.82Å; E936-R940 IonicContact OE2-NE 3.4Å; E936-R940 PolarHBondContact OE2-NE 3.39Å; E936-R940 IonicContact OE2-NH2 2.77Å; E936-R940 PolarHBondContact OE2-NH2 2.82Å |
| 937 | M | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.7 | -33.5 | 167 | -74.2 | 178.1 | 60 | 0 | 0 | 111.7 | A875 V878 F886 L933 L934 T935 Q941 L944 | A875-M937 HydrophobicContact CB-CB 4.43Å; A875-M937 HydrophobicContact CB-CG 3.65Å; V878-M937 HydrophobicContact CB-SD 4.45Å; V878-M937 HydrophobicContact CG1-CE 3.64Å; V878-M937 HydrophobicContact CG1-SD 3.95Å; F886-M937 HydrophobicContact CZ-CE 3.93Å; L933-M937 HydrophobicContact CD1-CG 4.17Å; L933-M937 HydrophobicContact CD1-SD 4.05Å; L933-M937 HydrophobicContact CG-SD 4.03Å; L933-M937 WeakPolarHBondContact O-CB 3.28Å; L933-M937 VanDerWaalsContact O-CG 3.25Å; L933-M937 WeakPolarHBondContact O-CG 3.37Å; L933-M937 PolarHBondContact O-N 3.19Å; L934-M937 PolarHBondContact O-N 2.94Å; T935-M937 VanDerWaalsContact C-N 3.26Å; T935-M937 PolarHBondContact O-N 2.63Å; M937-Q941 WeakPolarHBondContact O-CA 3.33Å; M937-Q941 WeakPolarHBondContact O-CB 3.45Å; M937-Q941 PolarHBondContact O-N 3.03Å; M937-L944 HydrophobicContact CB-CD2 3.52Å |
| 938 | Q | 90.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 22.1 Ų | 22.1 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -75.7 | -35.3 | 177 | -164.7 | -175.9 | 21.3 | 0 | 0 | 113 | L934 T935 R940 Q941 P942 L944 F968 D984 | L934-Q938 PolarHBondContact O-N 3.44Å; T935-Q938 WeakPolarHBondContact O-CA 3.06Å; T935-Q938 PolarHBondContact O-N 3.17Å; Q938-R940 PolarHBondContact O-N 3.01Å; Q938-Q941 CarbonylContact O-C 3.59Å; Q938-Q941 VanDerWaalsContact O-C 3.29Å; Q938-Q941 PolarHBondContact O-N 3.36Å; Q938-P942 PolarHBondContact NE2-O 2.9Å; Q938-P942 VanDerWaalsContact O-CA 3.26Å; Q938-P942 WeakPolarHBondContact O-CA 3.28Å; Q938-L944 HydrophobicContact CB-CB 4.26Å; Q938-L944 HydrophobicContact CB-CD2 4.19Å; Q938-L944 HydrophobicContact CG-CB 4.3Å; Q938-F968 HydrophobicContact CB-CZ 3.98Å; Q938-F968 HydrophobicContact CG-CZ 4.26Å; Q938-F968 VanDerWaalsContact OE1-CE1 3.24Å; Q938-D984 PolarHBondContact NE2-OD1 3.08Å; Q938-D984 VanDerWaalsContact NE2-OD1 3.08Å; Q938-D984 PolarHBondContact NE2-OD2 3.26Å |
| 939 | T | 87.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 17.3 Ų | 17.3 | 49% | 0.491 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -57.7 | -30.7 | 174.2 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | T935 E936 | T935-T939 PolarHBondContact O-N 2.97Å; E936-T939 WeakPolarHBondContact CA-OG1 3.43Å; E936-T939 PolarHBondContact O-OG1 3.18Å; E936-T939 VanDerWaalsContact O-OG1 3.05Å; E936-T939 PolarHBondContact OE1-OG1 3.29Å |
| 940 | R | 85.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 16.1 Ų | 16.1 | 36% | 0.358 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -96.2 | -27.8 | 179.2 | -59.4 | 175.9 | -169.6 | -78 | -11.2 | 114.3 | G872 E936 Q938 | G872-R940 VanDerWaalsContact O-CZ 3.26Å; G872-R940 PolarHBondContact O-NE 3.26Å; G872-R940 VanDerWaalsContact O-NE 3.09Å; G872-R940 PolarHBondContact O-NH2 2.95Å; E936-R940 WeakPolarHBondContact O-CD 3.31Å; E936-R940 WeakPolarHBondContact O-CG 3.37Å; E936-R940 IonicContact OE2-CZ 2.82Å; E936-R940 IonicContact OE2-NE 3.4Å; E936-R940 PolarHBondContact OE2-NE 3.39Å; E936-R940 IonicContact OE2-NH2 2.77Å; E936-R940 PolarHBondContact OE2-NH2 2.82Å; Q938-R940 PolarHBondContact O-N 3.01Å |
| 941 | Q | 86.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | trans | -137.7 | 82.6 | -179.3 | -176.7 | 52.3 | -106.6 | 0 | 0 | 109.8 | C879 F886 M937 Q938 R943 L944 | C879-Q941 HydrophobicContact CB-CB 4.49Å; F886-Q941 HydrophobicContact CB-CG 3.83Å; F886-Q941 HydrophobicContact CD1-CG 3.71Å; F886-Q941 HydrophobicContact CD2-CG 3.85Å; F886-Q941 HydrophobicContact CE1-CG 4.18Å; F886-Q941 HydrophobicContact CE2-CG 4.3Å; F886-Q941 HydrophobicContact CG-CG 3.53Å; F886-Q941 HydrophobicContact CZ-CG 4.44Å; M937-Q941 WeakPolarHBondContact O-CA 3.33Å; M937-Q941 WeakPolarHBondContact O-CB 3.45Å; M937-Q941 PolarHBondContact O-N 3.03Å; Q938-Q941 CarbonylContact O-C 3.59Å; Q938-Q941 VanDerWaalsContact O-C 3.29Å; Q938-Q941 PolarHBondContact O-N 3.36Å; Q941-R943 PolarHBondContact O-N 2.8Å; Q941-L944 WeakPolarHBondContact O-CB 3.09Å; Q941-L944 PolarHBondContact O-N 3.23Å | ||
| 942 | P | 86.9 | Confident | 89.5 | Confident | 23 Ų | 23 | 16.7 Ų | 16.7 | 15% | 0.149 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.2 | -167.1 | 25.4 | -35.7 | 0 | 0 | 0 | 113.6 | Q938 L944 L987 | Q938-P942 PolarHBondContact NE2-O 2.9Å; Q938-P942 VanDerWaalsContact O-CA 3.26Å; Q938-P942 WeakPolarHBondContact O-CA 3.28Å; P942-L944 PolarHBondContact O-N 2.95Å; P942-L944 VanDerWaalsContact O-N 3.1Å; P942-L987 HydrophobicContact CB-CD1 3.83Å; P942-L987 HydrophobicContact CG-CD1 4.32Å |
| 943 | R | 88 | Confident | 89.1 | Confident | 13 Ų | 13 | 17.1 Ų | 17.1 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.3 | 173.1 | -65.6 | -177.1 | 157.8 | 137.2 | -11.4 | 114.4 | Y721 F886 Q941 G945 Y946 H947 D991 | Y721-R943 PolarHBondContact OH-NH2 2.68Å; Y721-R943 VanDerWaalsContact OH-NH2 3.09Å; F886-R943 VanDerWaalsContact O-CD 3.26Å; F886-R943 WeakPolarHBondContact O-CD 3.22Å; F886-R943 PolarHBondContact O-NH1 3.43Å; Q941-R943 PolarHBondContact O-N 2.8Å; R943-G945 PolarHBondContact O-N 3.17Å; R943-Y946 HydrophobicContact CB-CD1 4.37Å; R943-Y946 HydrophobicContact CB-CE1 3.65Å; R943-Y946 WeakPolarHBondContact CD-OH 3.29Å; R943-Y946 HydrophobicContact CG-CE1 3.74Å; R943-Y946 WeakPolarHBondContact O-CD1 3.22Å; R943-Y946 PolarHBondContact O-N 2.86Å; R943-H947 PolarHBondContact O-N 2.89Å; R943-H947 PolarHBondContact O-ND1 3.39Å; R943-D991 IonicContact CZ-OD1 2.69Å; R943-D991 IonicContact CZ-OD2 3.35Å; R943-D991 IonicContact NE-OD1 3.92Å; R943-D991 IonicContact NE-OD2 3.66Å; R943-D991 PolarHBondContact NE-OD2 3.06Å; R943-D991 IonicContact NH2-OD1 3.48Å; R943-D991 PolarHBondContact NH2-OD1 2.72Å; R943-D991 IonicContact NH2-OD2 2.94Å; R943-D991 PolarHBondContact NH2-OD2 3.41Å |
| 944 | L | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.8 | -33.9 | -173.1 | -173.1 | 69.1 | 0 | 0 | 0 | 113 | F886 F914 L934 M937 Q938 Q941 P942 H947 L948 | F886-L944 HydrophobicContact CE1-CD1 3.76Å; F886-L944 HydrophobicContact CZ-CD1 4.24Å; F914-L944 HydrophobicContact CE1-CD1 4.18Å; F914-L944 HydrophobicContact CE1-CG 4.38Å; F914-L944 HydrophobicContact CZ-CD1 3.63Å; F914-L944 HydrophobicContact CZ-CG 4.01Å; L934-L944 HydrophobicContact CD2-CD2 3.98Å; L934-L944 VanDerWaalsContact O-CD2 3.29Å; L934-L944 WeakPolarHBondContact O-CD2 3.38Å; M937-L944 HydrophobicContact CB-CD2 3.52Å; Q938-L944 HydrophobicContact CB-CB 4.26Å; Q938-L944 HydrophobicContact CB-CD2 4.19Å; Q938-L944 HydrophobicContact CG-CB 4.3Å; Q941-L944 WeakPolarHBondContact O-CB 3.09Å; Q941-L944 PolarHBondContact O-N 3.23Å; P942-L944 PolarHBondContact O-N 2.95Å; P942-L944 VanDerWaalsContact O-N 3.1Å; L944-H947 WeakPolarHBondContact O-CB 3.37Å; L944-H947 PolarHBondContact O-N 3.19Å; L944-L948 PolarHBondContact O-N 2.82Å |
| 945 | G | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R943 H947 L948 L949 D984 | R943-G945 PolarHBondContact O-N 3.17Å; G945-H947 VanDerWaalsContact C-N 3.26Å; G945-H947 PolarHBondContact O-N 2.99Å; G945-L948 WeakPolarHBondContact O-CB 3.31Å; G945-L948 PolarHBondContact O-N 2.96Å; G945-L948 VanDerWaalsContact O-N 3.13Å; G945-L949 PolarHBondContact O-N 3.38Å; G945-L949 VanDerWaalsContact O-N 3.11Å; G945-D984 VanDerWaalsContact CA-OD2 3.28Å; G945-D984 WeakPolarHBondContact CA-OD2 3.48Å |
| 946 | Y | 89.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 7% | 0.071 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.9 | -23.3 | 172.1 | 80.2 | -116.1 | 0 | 0 | 0 | 113 | R943 L948 L949 F950 L987 L988 D991 | R943-Y946 HydrophobicContact CB-CD1 4.37Å; R943-Y946 HydrophobicContact CB-CE1 3.65Å; R943-Y946 WeakPolarHBondContact CD-OH 3.29Å; R943-Y946 HydrophobicContact CG-CE1 3.74Å; R943-Y946 WeakPolarHBondContact O-CD1 3.22Å; R943-Y946 PolarHBondContact O-N 2.86Å; Y946-L948 VanDerWaalsContact C-N 3.33Å; Y946-L949 PolarHBondContact O-N 2.97Å; Y946-F950 WeakPolarHBondContact O-CB 3.2Å; Y946-F950 PolarHBondContact O-N 3.32Å; Y946-L987 HydrophobicContact CD1-CB 4.02Å; Y946-L987 HydrophobicContact CE1-CB 4.09Å; Y946-L988 HydrophobicContact CD1-CB 3.92Å; Y946-L988 HydrophobicContact CD2-CB 4.24Å; Y946-L988 HydrophobicContact CD2-CD1 3.79Å; Y946-L988 HydrophobicContact CD2-CG 4.46Å; Y946-L988 HydrophobicContact CE1-CB 4.49Å; Y946-L988 HydrophobicContact CE2-CD1 4.04Å; Y946-L988 HydrophobicContact CG-CB 3.8Å; Y946-L988 HydrophobicContact CG-CD1 4.24Å; Y946-L988 HydrophobicContact CG-CG 4.46Å; Y946-D991 PolarHBondContact OH-OD2 2.96Å; Y946-D991 VanDerWaalsContact OH-OD2 3.05Å |
| 947 | H | 89.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.4 | -34 | 170.8 | -71.6 | 66.1 | 0 | 0 | 0 | 111.4 | L890 F911 F914 R943 L944 G945 F950 F951 | L890-H947 WeakPolarHBondContact CD1-CD2 3.2Å; L890-H947 WeakPolarHBondContact CD1-NE2 3.31Å; F911-H947 HydrophobicContact CE1-CB 4.17Å; F914-H947 HydrophobicContact CE2-CB 4.18Å; R943-H947 PolarHBondContact O-N 2.89Å; R943-H947 PolarHBondContact O-ND1 3.39Å; L944-H947 WeakPolarHBondContact O-CB 3.37Å; L944-H947 PolarHBondContact O-N 3.19Å; G945-H947 VanDerWaalsContact C-N 3.26Å; G945-H947 PolarHBondContact O-N 2.99Å; H947-F950 PolarHBondContact O-N 3.27Å; H947-F951 WeakPolarHBondContact O-CB 3.5Å; H947-F951 PolarHBondContact O-N 3.1Å |
| 948 | L | 90.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 170.9 | -179.9 | 57.4 | 0 | 0 | 0 | 110.8 | F914 L944 G945 Y946 F950 F951 L952 Y965 F968 | F914-L948 HydrophobicContact CB-CD1 4.23Å; F914-L948 HydrophobicContact CD1-CD1 3.84Å; F914-L948 HydrophobicContact CD2-CB 4.46Å; F914-L948 HydrophobicContact CD2-CD1 4.01Å; F914-L948 HydrophobicContact CE1-CB 4.06Å; F914-L948 HydrophobicContact CE1-CD1 4.12Å; F914-L948 HydrophobicContact CE2-CB 3.94Å; F914-L948 HydrophobicContact CE2-CD1 4.34Å; F914-L948 HydrophobicContact CG-CD1 3.78Å; F914-L948 HydrophobicContact CZ-CB 3.72Å; F914-L948 HydrophobicContact CZ-CD1 4.38Å; L944-L948 PolarHBondContact O-N 2.82Å; G945-L948 WeakPolarHBondContact O-CB 3.31Å; G945-L948 PolarHBondContact O-N 2.96Å; G945-L948 VanDerWaalsContact O-N 3.13Å; Y946-L948 VanDerWaalsContact C-N 3.33Å; L948-F950 VanDerWaalsContact C-N 3.3Å; L948-F950 PolarHBondContact O-N 3.44Å; L948-F951 PolarHBondContact O-N 3.41Å; L948-L952 HydrophobicContact CD1-CD1 4.05Å; L948-L952 HydrophobicContact CD1-CD2 4.41Å; L948-L952 HydrophobicContact CD1-CG 3.96Å; L948-L952 HydrophobicContact CG-CD1 3.97Å; L948-L952 HydrophobicContact CG-CG 4.33Å; L948-L952 WeakPolarHBondContact O-CB 3.28Å; L948-L952 VanDerWaalsContact O-CG 3.25Å; L948-L952 WeakPolarHBondContact O-CG 3.23Å; L948-L952 PolarHBondContact O-N 3.02Å; L948-Y965 HydrophobicContact CB-CD2 4.5Å; L948-Y965 HydrophobicContact CD2-CD2 4.05Å; L948-Y965 HydrophobicContact CG-CD2 4.29Å; L948-F968 HydrophobicContact CD2-CB 3.75Å; L948-F968 HydrophobicContact CD2-CD1 3.66Å; L948-F968 HydrophobicContact CD2-CD2 4.48Å; L948-F968 HydrophobicContact CD2-CE1 4.38Å; L948-F968 HydrophobicContact CD2-CG 3.7Å |
| 949 | L | 89.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 174.3 | -65.8 | 173.2 | 0 | 0 | 0 | 112.3 | G945 Y946 K953 M962 Y965 L981 D984 M985 F1007 | G945-L949 PolarHBondContact O-N 3.38Å; G945-L949 VanDerWaalsContact O-N 3.11Å; Y946-L949 PolarHBondContact O-N 2.97Å; L949-K953 PolarHBondContact O-N 3.21Å; L949-M962 HydrophobicContact CD2-CE 4.03Å; L949-M962 HydrophobicContact CD2-SD 4.03Å; L949-Y965 HydrophobicContact CD1-CE2 4.09Å; L949-Y965 HydrophobicContact CD2-CD1 3.83Å; L949-Y965 HydrophobicContact CD2-CD2 3.54Å; L949-Y965 HydrophobicContact CD2-CE1 4.08Å; L949-Y965 HydrophobicContact CD2-CE2 3.83Å; L949-Y965 HydrophobicContact CD2-CG 3.55Å; L949-Y965 HydrophobicContact CG-CD2 3.77Å; L949-Y965 HydrophobicContact CG-CE2 3.7Å; L949-Y965 HydrophobicContact CG-CG 4.31Å; L949-L981 HydrophobicContact CD1-CD1 3.71Å; L949-L981 HydrophobicContact CD2-CD1 4.33Å; L949-D984 HydrophobicContact CD1-CB 4.45Å; L949-M985 HydrophobicContact CD1-SD 4.26Å; L949-F1007 HydrophobicContact CD2-CE2 4.29Å |
| 950 | F | 87.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -49 | 175 | 175 | -106.6 | 0 | 0 | 0 | 112.8 | M891 C905 L906 F911 Y946 H947 L948 K953 I954 L995 L999 | M891-F950 HydrophobicContact CE-CE2 3.97Å; M891-F950 HydrophobicContact SD-CD2 4.18Å; M891-F950 HydrophobicContact SD-CE2 3.18Å; M891-F950 WeakPolarHBondContact SD-CE2 3.37Å; M891-F950 HydrophobicContact SD-CZ 3.45Å; M891-F950 WeakPolarHBondContact SD-CZ 3.26Å; C905-F950 HydrophobicContact CB-CZ 4.32Å; L906-F950 HydrophobicContact CD2-CD1 4.11Å; L906-F950 HydrophobicContact CD2-CE1 3.75Å; F911-F950 HydrophobicContact CE1-CD1 4.03Å; F911-F950 AromaticContact CZ-CD1 3.81Å; F911-F950 HydrophobicContact CZ-CD1 3.81Å; F911-F950 AromaticContact CZ-CE1 3.95Å; F911-F950 HydrophobicContact CZ-CE1 3.95Å; Y946-F950 WeakPolarHBondContact O-CB 3.2Å; Y946-F950 PolarHBondContact O-N 3.32Å; H947-F950 PolarHBondContact O-N 3.27Å; L948-F950 VanDerWaalsContact C-N 3.3Å; L948-F950 PolarHBondContact O-N 3.44Å; F950-K953 PolarHBondContact O-N 3.09Å; F950-I954 HydrophobicContact CD1-CD1 4.38Å; F950-I954 HydrophobicContact CD2-CD1 3.59Å; F950-I954 HydrophobicContact CE1-CD1 3.95Å; F950-I954 HydrophobicContact CE2-CD1 3.06Å; F950-I954 HydrophobicContact CE2-CG1 4.47Å; F950-I954 HydrophobicContact CG-CD1 4.24Å; F950-I954 HydrophobicContact CZ-CD1 3.27Å; F950-I954 PolarHBondContact O-N 2.73Å; F950-L995 HydrophobicContact CD2-CD1 3.68Å; F950-L995 HydrophobicContact CD2-CD2 3.69Å; F950-L995 HydrophobicContact CD2-CG 4.32Å; F950-L995 HydrophobicContact CE2-CD1 3.95Å; F950-L995 HydrophobicContact CE2-CD2 4.1Å; F950-L995 HydrophobicContact CG-CD2 4.37Å; F950-L999 HydrophobicContact CB-CD1 4.24Å |
| 951 | F | 88.8 | Confident | 78.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.4 | -176 | -84.7 | 0 | 0 | 0 | 111.8 | L906 F911 F914 R915 L918 H947 L948 G955 | L906-F951 HydrophobicContact CB-CD2 4.33Å; L906-F951 HydrophobicContact CB-CE2 4.14Å; L906-F951 HydrophobicContact CD1-CD2 4.13Å; L906-F951 HydrophobicContact CD1-CE2 4.06Å; L906-F951 HydrophobicContact CD2-CD2 3.88Å; L906-F951 HydrophobicContact CD2-CE2 4.48Å; L906-F951 HydrophobicContact CG-CD2 4.34Å; L906-F951 HydrophobicContact CG-CE2 4.47Å; F911-F951 HydrophobicContact CB-CD2 3.64Å; F911-F951 HydrophobicContact CB-CE2 3.8Å; F911-F951 HydrophobicContact CD1-CB 3.9Å; F911-F951 AromaticContact CD1-CD2 3.53Å; F911-F951 HydrophobicContact CD1-CD2 3.53Å; F911-F951 HydrophobicContact CD1-CG 4.08Å; F911-F951 HydrophobicContact CE1-CB 4.14Å; F911-F951 HydrophobicContact CE1-CD2 4.36Å; F911-F951 AromaticContact CG-CD2 3.74Å; F911-F951 HydrophobicContact CG-CD2 3.74Å; F911-F951 HydrophobicContact CG-CE2 4.34Å; F914-F951 HydrophobicContact CB-CD1 3.98Å; F914-F951 HydrophobicContact CB-CE1 4.28Å; F914-F951 HydrophobicContact CB-CG 4.2Å; F914-F951 HydrophobicContact CD2-CB 3.83Å; F914-F951 HydrophobicContact CD2-CD1 4.48Å; F914-F951 HydrophobicContact CD2-CD2 4.45Å; F914-F951 AromaticContact CD2-CG 3.98Å; F914-F951 HydrophobicContact CD2-CG 3.98Å; F914-F951 HydrophobicContact CE2-CB 4.44Å; R915-F951 HydrophobicContact CG-CE2 4Å; R915-F951 HydrophobicContact CG-CZ 3.67Å; L918-F951 HydrophobicContact CD1-CD1 4.11Å; L918-F951 HydrophobicContact CD1-CE1 3.52Å; H947-F951 WeakPolarHBondContact O-CB 3.5Å; H947-F951 PolarHBondContact O-N 3.1Å; L948-F951 PolarHBondContact O-N 3.41Å; F951-G955 PolarHBondContact O-N 3.47Å |
| 952 | L | 87.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | 176.4 | -70.2 | 173.7 | 0 | 0 | 0 | 109.8 | L918 L948 I954 K961 M962 I964 | L918-L952 HydrophobicContact CD1-CD2 4.24Å; L948-L952 HydrophobicContact CD1-CD1 4.05Å; L948-L952 HydrophobicContact CD1-CD2 4.41Å; L948-L952 HydrophobicContact CD1-CG 3.96Å; L948-L952 HydrophobicContact CG-CD1 3.97Å; L948-L952 HydrophobicContact CG-CG 4.33Å; L948-L952 WeakPolarHBondContact O-CB 3.28Å; L948-L952 VanDerWaalsContact O-CG 3.25Å; L948-L952 WeakPolarHBondContact O-CG 3.23Å; L948-L952 PolarHBondContact O-N 3.02Å; L952-I954 PolarHBondContact O-N 2.68Å; L952-K961 HydrophobicContact CD2-CB 4.1Å; L952-K961 HydrophobicContact CD2-CG 4.1Å; L952-K961 WeakPolarHBondContact CD2-O 3.26Å; L952-K961 WeakPolarHBondContact O-CD 3.49Å; L952-K961 WeakPolarHBondContact O-CE 3.46Å; L952-K961 PolarHBondContact O-NZ 2.73Å; L952-M962 HydrophobicContact CB-SD 4.4Å; L952-M962 HydrophobicContact CD1-SD 3.93Å; L952-I964 HydrophobicContact CD2-CB 4.43Å |
| 953 | K | 84.1 | Confident | 77.5 | Confident | 53 Ų | 53 | 41 Ų | 41 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.6 | -53.7 | 179.3 | 175.4 | 164.7 | -176.9 | 155 | 0 | 113.6 | L949 F950 Y998 L999 D1002 | L949-K953 PolarHBondContact O-N 3.21Å; F950-K953 PolarHBondContact O-N 3.09Å; K953-Y998 HydrophobicContact CD-CD1 4.2Å; K953-Y998 HydrophobicContact CD-CE1 3.75Å; K953-Y998 VanDerWaalsContact CE-CE1 3.48Å; K953-Y998 VanDerWaalsContact CE-CZ 3.48Å; K953-Y998 PolarHBondContact NZ-O 3.43Å; K953-L999 HydrophobicContact CB-CD2 3.58Å; K953-L999 HydrophobicContact CD-CD2 3.75Å; K953-L999 HydrophobicContact CD-CG 4.35Å; K953-L999 HydrophobicContact CG-CD2 4.24Å; K953-D1002 WeakPolarHBondContact CD-OD1 3.48Å; K953-D1002 WeakPolarHBondContact CD-OD2 3.25Å; K953-D1002 WeakPolarHBondContact CE-OD1 3.22Å; K953-D1002 IonicContact NZ-OD1 3.24Å; K953-D1002 PolarHBondContact NZ-OD1 3.45Å; K953-D1002 IonicContact NZ-OD2 2.71Å; K953-D1002 PolarHBondContact NZ-OD2 2.78Å |
| 954 | I | 80.9 | Confident | 77.3 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.6 | -32.4 | -171.2 | -67.5 | 152.9 | 0 | 0 | 0 | 111.8 | L902 E903 L906 F950 L952 K956 | L902-I954 HydrophobicContact CB-CD1 3.8Å; L902-I954 HydrophobicContact CB-CG1 4.14Å; L902-I954 HydrophobicContact CB-CG2 4.18Å; L902-I954 HydrophobicContact CD1-CD1 4.47Å; E903-I954 HydrophobicContact CG-CG2 3.76Å; L906-I954 HydrophobicContact CD1-CB 3.98Å; L906-I954 HydrophobicContact CD1-CG2 3.7Å; L906-I954 HydrophobicContact CD2-CB 4.31Å; L906-I954 HydrophobicContact CD2-CD1 4.43Å; L906-I954 HydrophobicContact CD2-CG2 4.41Å; L906-I954 HydrophobicContact CG-CB 4.39Å; L906-I954 HydrophobicContact CG-CG2 4.01Å; F950-I954 HydrophobicContact CD1-CD1 4.38Å; F950-I954 HydrophobicContact CD2-CD1 3.59Å; F950-I954 HydrophobicContact CE1-CD1 3.95Å; F950-I954 HydrophobicContact CE2-CD1 3.06Å; F950-I954 HydrophobicContact CE2-CG1 4.47Å; F950-I954 HydrophobicContact CG-CD1 4.24Å; F950-I954 HydrophobicContact CZ-CD1 3.27Å; F950-I954 PolarHBondContact O-N 2.73Å; L952-I954 PolarHBondContact O-N 2.68Å; I954-K956 PolarHBondContact O-N 3.22Å |
| 955 | G | 69.7 | Low | 77.3 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -74.6 | 26.6 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | F951 V957 K961 | F951-G955 PolarHBondContact O-N 3.47Å; G955-V957 VanDerWaalsContact C-N 3.25Å; G955-V957 PolarHBondContact O-N 3.25Å; G955-K961 VanDerWaalsContact C-CE 3.49Å; G955-K961 WeakPolarHBondContact O-CE 3.37Å; G955-K961 PolarHBondContact O-NZ 3.02Å |
| 956 | K | 63 | Low | 77.2 | Confident | 120 Ų | 120 | 44.6 Ų | 44.6 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | trans | 41.3 | -6.7 | 162.7 | -80.4 | 168.5 | 176.1 | 171.7 | 0 | 123.7 | E899 E903 I954 | E899-K956 VanDerWaalsContact OE1-CE 3.26Å; E899-K956 WeakPolarHBondContact OE1-CE 3.42Å; E899-K956 IonicContact OE1-NZ 2.67Å; E899-K956 PolarHBondContact OE1-NZ 3.05Å; E899-K956 WeakPolarHBondContact OE2-CE 3.44Å; E899-K956 IonicContact OE2-NZ 3.1Å; E899-K956 PolarHBondContact OE2-NZ 3.28Å; E903-K956 WeakPolarHBondContact OE1-CD 3.38Å; E903-K956 VanDerWaalsContact OE1-CE 3.29Å; E903-K956 WeakPolarHBondContact OE1-CE 3.44Å; E903-K956 IonicContact OE1-NZ 3.31Å; E903-K956 PolarHBondContact OE1-NZ 2.91Å; I954-K956 PolarHBondContact O-N 3.22Å | ||
| 957 | V | 53.3 | Low | 77.1 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | trans | -55.4 | 154.6 | 165.9 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | L918 G955 K961 | L918-V957 HydrophobicContact CD2-CG1 4.49Å; G955-V957 VanDerWaalsContact C-N 3.25Å; G955-V957 PolarHBondContact O-N 3.25Å; V957-K961 HydrophobicContact CB-CD 4.37Å; V957-K961 HydrophobicContact CB-CG 4.06Å; V957-K961 HydrophobicContact CG1-CG 4.39Å; V957-K961 WeakPolarHBondContact O-CD 3.29Å; V957-K961 WeakPolarHBondContact O-CE 3.44Å | ||
| 958 | N | 54.2 | Low | 77.1 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | trans | -54 | 166 | -173.5 | -54.4 | -19.2 | 0 | 0 | 0 | 115.7 | E960 K961 | N958-E960 PolarHBondContact O-N 3.02Å; N958-K961 WeakPolarHBondContact O-CB 3.45Å; N958-K961 WeakPolarHBondContact O-CG 3.23Å; N958-K961 PolarHBondContact O-N 2.72Å | ||
| 959 | D | 52 | Low | 77.1 | Confident | 159 Ų | 159 | 46.5 Ų | 46.5 | 85% | 0.85 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -50.9 | -27.6 | -174.9 | -61.7 | -62.8 | 0 | 0 | 0 | 115.5 | K961 | D959-K961 PolarHBondContact O-N 2.91Š|
| 960 | E | 60.8 | Low | 77 | Confident | 155 Ų | 155 | 49.6 Ų | 49.6 | 72% | 0.724 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -51.1 | -27.2 | 172.7 | -62.3 | 177.8 | 157.9 | 0 | 0 | 113.1 | N958 M962 S963 | N958-E960 PolarHBondContact O-N 3.02Å; E960-M962 VanDerWaalsContact C-N 3.28Å; E960-M962 PolarHBondContact O-N 2.75Å; E960-M962 VanDerWaalsContact O-N 3.08Å; E960-S963 VanDerWaalsContact O-CB 3.27Å; E960-S963 WeakPolarHBondContact O-CB 3.43Å; E960-S963 PolarHBondContact O-N 3.47Å; E960-S963 PolarHBondContact O-OG 2.98Å |
| 961 | K | 61.3 | Low | 76.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -33.5 | -52.2 | 175.3 | -97.3 | -176.5 | 177.9 | -68.3 | 0 | 115.4 | L952 G955 V957 N958 D959 S963 I964 | L952-K961 HydrophobicContact CD2-CB 4.1Å; L952-K961 HydrophobicContact CD2-CG 4.1Å; L952-K961 WeakPolarHBondContact CD2-O 3.26Å; L952-K961 WeakPolarHBondContact O-CD 3.49Å; L952-K961 WeakPolarHBondContact O-CE 3.46Å; L952-K961 PolarHBondContact O-NZ 2.73Å; G955-K961 VanDerWaalsContact C-CE 3.49Å; G955-K961 WeakPolarHBondContact O-CE 3.37Å; G955-K961 PolarHBondContact O-NZ 3.02Å; V957-K961 HydrophobicContact CB-CD 4.37Å; V957-K961 HydrophobicContact CB-CG 4.06Å; V957-K961 HydrophobicContact CG1-CG 4.39Å; V957-K961 WeakPolarHBondContact O-CD 3.29Å; V957-K961 WeakPolarHBondContact O-CE 3.44Å; N958-K961 WeakPolarHBondContact O-CB 3.45Å; N958-K961 WeakPolarHBondContact O-CG 3.23Å; N958-K961 PolarHBondContact O-N 2.72Å; D959-K961 PolarHBondContact O-N 2.91Å; K961-S963 PolarHBondContact O-N 2.93Å; K961-I964 VanDerWaalsContact O-CB 3.28Å; K961-I964 WeakPolarHBondContact O-CB 3.43Å; K961-I964 WeakPolarHBondContact O-CG1 3.45Å; K961-I964 PolarHBondContact O-N 2.78Å |
| 962 | M | 75 | Confident | 76.8 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -73.6 | -12.9 | -169.8 | -81.9 | -67.8 | -152.2 | 0 | 0 | 113.3 | L949 L952 E960 I964 Y965 R966 V1003 V1006 F1007 | L949-M962 HydrophobicContact CD2-CE 4.03Å; L949-M962 HydrophobicContact CD2-SD 4.03Å; L952-M962 HydrophobicContact CB-SD 4.4Å; L952-M962 HydrophobicContact CD1-SD 3.93Å; E960-M962 VanDerWaalsContact C-N 3.28Å; E960-M962 PolarHBondContact O-N 2.75Å; E960-M962 VanDerWaalsContact O-N 3.08Å; M962-I964 PolarHBondContact O-N 3.32Å; M962-Y965 PolarHBondContact O-N 3.01Å; M962-R966 PolarHBondContact O-N 3.04Å; M962-V1003 HydrophobicContact CE-CG2 4.39Å; M962-V1006 HydrophobicContact CB-CB 4.45Å; M962-V1006 HydrophobicContact CB-CG1 3.47Å; M962-V1006 VanDerWaalsContact CB-CG1 3.47Å; M962-V1006 HydrophobicContact CG-CB 4.26Å; M962-V1006 HydrophobicContact CG-CG1 3.8Å; M962-V1006 HydrophobicContact CG-CG2 4.3Å; M962-F1007 HydrophobicContact CB-CZ 4.32Å; M962-F1007 HydrophobicContact CE-CE2 3.93Å; M962-F1007 HydrophobicContact SD-CE2 3.78Å; M962-F1007 HydrophobicContact SD-CZ 3.96Å |
| 963 | S | 79.7 | Confident | 76.2 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56 | -30 | 164.7 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | E960 K961 Y965 R966 N967 | E960-S963 VanDerWaalsContact O-CB 3.27Å; E960-S963 WeakPolarHBondContact O-CB 3.43Å; E960-S963 PolarHBondContact O-N 3.47Å; E960-S963 PolarHBondContact O-OG 2.98Å; K961-S963 PolarHBondContact O-N 2.93Å; S963-Y965 PolarHBondContact O-N 3.15Å; S963-R966 CarbonylContact O-C 3.59Å; S963-R966 WeakPolarHBondContact O-CA 3.46Å; S963-R966 WeakPolarHBondContact O-CB 3.33Å; S963-R966 PolarHBondContact O-N 2.89Å; S963-R966 VanDerWaalsContact O-N 3.11Å; S963-N967 PolarHBondContact O-N 3.37Å; S963-N967 PolarHBondContact O-OD1 3.24Å |
| 964 | I | 85.4 | Confident | 75.9 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.4 | -35.1 | -179.2 | -56.7 | -178.8 | 0 | 0 | 0 | 111.3 | L917 L918 L952 K961 M962 F968 | L917-I964 HydrophobicContact CD2-CG2 3.48Å; L917-I964 VanDerWaalsContact CD2-CG2 3.48Å; L917-I964 HydrophobicContact CG-CG2 3.88Å; L918-I964 HydrophobicContact CB-CD1 4.5Å; L918-I964 HydrophobicContact CD1-CD1 4.48Å; L918-I964 HydrophobicContact CD2-CD1 3.35Å; L918-I964 HydrophobicContact CG-CD1 3.47Å; L918-I964 VanDerWaalsContact CG-CD1 3.47Å; L952-I964 HydrophobicContact CD2-CB 4.43Å; K961-I964 VanDerWaalsContact O-CB 3.28Å; K961-I964 WeakPolarHBondContact O-CB 3.43Å; K961-I964 WeakPolarHBondContact O-CG1 3.45Å; K961-I964 PolarHBondContact O-N 2.78Å; M962-I964 PolarHBondContact O-N 3.32Å; I964-F968 VanDerWaalsContact O-CB 3.24Å; I964-F968 WeakPolarHBondContact O-CB 3.49Å; I964-F968 PolarHBondContact O-N 3.43Å |
| 965 | Y | 89.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.1 | -37 | 170.5 | -174.3 | -97.1 | 0 | 0 | 0 | 111.4 | L948 L949 M962 S963 F968 C969 L977 S980 L981 D984 F1007 | L948-Y965 HydrophobicContact CB-CD2 4.5Å; L948-Y965 HydrophobicContact CD2-CD2 4.05Å; L948-Y965 HydrophobicContact CG-CD2 4.29Å; L949-Y965 HydrophobicContact CD1-CE2 4.09Å; L949-Y965 HydrophobicContact CD2-CD1 3.83Å; L949-Y965 HydrophobicContact CD2-CD2 3.54Å; L949-Y965 HydrophobicContact CD2-CE1 4.08Å; L949-Y965 HydrophobicContact CD2-CE2 3.83Å; L949-Y965 HydrophobicContact CD2-CG 3.55Å; L949-Y965 HydrophobicContact CG-CD2 3.77Å; L949-Y965 HydrophobicContact CG-CE2 3.7Å; L949-Y965 HydrophobicContact CG-CG 4.31Å; M962-Y965 PolarHBondContact O-N 3.01Å; S963-Y965 PolarHBondContact O-N 3.15Å; Y965-F968 HydrophobicContact CD2-CD1 4.28Å; Y965-F968 HydrophobicContact CE2-CD1 4.32Å; Y965-F968 PolarHBondContact O-N 3.46Å; Y965-C969 WeakPolarHBondContact CE1-SG 3.23Å; Y965-C969 VanDerWaalsContact CZ-SG 3.53Å; Y965-C969 PolarHBondContact O-N 3.06Å; Y965-C969 PolarHBondContact O-SG 3.48Å; Y965-C969 VanDerWaalsContact O-SG 3.42Å; Y965-L977 HydrophobicContact CD1-CD1 3.96Å; Y965-L977 HydrophobicContact CE1-CD1 3.88Å; Y965-S980 PolarHBondContact OH-O 3.43Å; Y965-L981 HydrophobicContact CE1-CB 4.17Å; Y965-L981 HydrophobicContact CE1-CD1 3.82Å; Y965-L981 WeakPolarHBondContact OH-CA 3.35Å; Y965-L981 PolarHBondContact OH-N 2.89Å; Y965-D984 WeakPolarHBondContact CE2-OD2 3.37Å; Y965-D984 PolarHBondContact OH-OD2 3.39Å; Y965-F1007 HydrophobicContact CD1-CE1 4.23Å; Y965-F1007 HydrophobicContact CD1-CE2 4.31Å; Y965-F1007 AromaticContact CD1-CZ 3.67Å; Y965-F1007 HydrophobicContact CD1-CZ 3.67Å; Y965-F1007 HydrophobicContact CE1-CZ 4.48Å; Y965-F1007 HydrophobicContact CG-CZ 4.42Å |
| 966 | R | 89 | Confident | 76.6 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 173.4 | -63.3 | 176.5 | 171.4 | -93.4 | -1.5 | 111.7 | M962 S963 C969 A970 L977 V1006 F1007 E1010 | M962-R966 PolarHBondContact O-N 3.04Å; S963-R966 CarbonylContact O-C 3.59Å; S963-R966 WeakPolarHBondContact O-CA 3.46Å; S963-R966 WeakPolarHBondContact O-CB 3.33Å; S963-R966 PolarHBondContact O-N 2.89Å; S963-R966 VanDerWaalsContact O-N 3.11Å; R966-C969 PolarHBondContact O-N 3.02Å; R966-A970 WeakPolarHBondContact O-CB 3.34Å; R966-A970 PolarHBondContact O-N 3.41Å; R966-L977 HydrophobicContact CG-CD1 4.33Å; R966-L977 HydrophobicContact CG-CD2 3.89Å; R966-V1006 PolarHBondContact NH2-O 3.47Å; R966-V1006 VanDerWaalsContact NH2-O 3.13Å; R966-F1007 HydrophobicContact CG-CE1 3.77Å; R966-F1007 HydrophobicContact CG-CZ 4.5Å; R966-E1010 IonicContact CZ-OE1 3.29Å; R966-E1010 VanDerWaalsContact CZ-OE1 3.22Å; R966-E1010 IonicContact NH1-OE1 3.95Å; R966-E1010 PolarHBondContact NH1-OE1 3.28Å; R966-E1010 IonicContact NH2-OE1 3.8Å; R966-E1010 PolarHBondContact NH2-OE1 3.38Å; R966-E1010 IonicContact NH2-OE2 2.78Å; R966-E1010 PolarHBondContact NH2-OE2 3.11Å |
| 967 | N | 86.8 | Confident | 77.9 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.7 | -70.6 | 25.9 | 0 | 0 | 0 | 111.9 | S963 C969 A970 S971 | S963-N967 PolarHBondContact O-N 3.37Å; S963-N967 PolarHBondContact O-OD1 3.24Å; N967-C969 PolarHBondContact O-N 3.2Å; N967-A970 CarbonylContact O-C 3.55Å; N967-A970 WeakPolarHBondContact O-CA 3.49Å; N967-A970 WeakPolarHBondContact O-CB 3.12Å; N967-A970 PolarHBondContact O-N 3.21Å; N967-S971 PolarHBondContact O-N 3.35Å |
| 968 | F | 89.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 176.2 | 172.9 | -109.7 | 0 | 0 | 0 | 113.1 | L931 L934 Q938 L948 I964 Y965 A970 S971 | L931-F968 HydrophobicContact CD2-CB 4.29Å; L931-F968 HydrophobicContact CD2-CD2 4.49Å; L934-F968 HydrophobicContact CB-CD2 4.18Å; L934-F968 HydrophobicContact CB-CE2 3.81Å; Q938-F968 HydrophobicContact CB-CZ 3.98Å; Q938-F968 HydrophobicContact CG-CZ 4.26Å; Q938-F968 VanDerWaalsContact OE1-CE1 3.24Å; L948-F968 HydrophobicContact CD2-CB 3.75Å; L948-F968 HydrophobicContact CD2-CD1 3.66Å; L948-F968 HydrophobicContact CD2-CD2 4.48Å; L948-F968 HydrophobicContact CD2-CE1 4.38Å; L948-F968 HydrophobicContact CD2-CG 3.7Å; I964-F968 VanDerWaalsContact O-CB 3.24Å; I964-F968 WeakPolarHBondContact O-CB 3.49Å; I964-F968 PolarHBondContact O-N 3.43Å; Y965-F968 HydrophobicContact CD2-CD1 4.28Å; Y965-F968 HydrophobicContact CE2-CD1 4.32Å; Y965-F968 PolarHBondContact O-N 3.46Å; F968-A970 VanDerWaalsContact C-N 3.34Å; F968-S971 PolarHBondContact O-OG 3.36Å |
| 969 | C | 90.4 | Very high | 81.5 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.7 | -28.2 | 169.9 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | Y965 R966 N967 P975 L977 | Y965-C969 WeakPolarHBondContact CE1-SG 3.23Å; Y965-C969 VanDerWaalsContact CZ-SG 3.53Å; Y965-C969 PolarHBondContact O-N 3.06Å; Y965-C969 PolarHBondContact O-SG 3.48Å; Y965-C969 VanDerWaalsContact O-SG 3.42Å; R966-C969 PolarHBondContact O-N 3.02Å; N967-C969 PolarHBondContact O-N 3.2Å; C969-P975 WeakPolarHBondContact O-CA 3.23Å; C969-P975 WeakPolarHBondContact O-CB 3.23Å; C969-L977 HydrophobicContact CB-CD1 3.98Å |
| 970 | A | 88.2 | Confident | 83.3 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.7 | -26.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R966 N967 F968 Q972 | R966-A970 WeakPolarHBondContact O-CB 3.34Å; R966-A970 PolarHBondContact O-N 3.41Å; N967-A970 CarbonylContact O-C 3.55Å; N967-A970 WeakPolarHBondContact O-CA 3.49Å; N967-A970 WeakPolarHBondContact O-CB 3.12Å; N967-A970 PolarHBondContact O-N 3.21Å; F968-A970 VanDerWaalsContact C-N 3.34Å; A970-Q972 VanDerWaalsContact C-N 3.26Å; A970-Q972 PolarHBondContact O-N 3.48Å |
| 971 | S | 85.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 13.2 | 175.5 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | T935 N967 F968 | T935-S971 WeakPolarHBondContact CG2-O 3.32Å; T935-S971 PolarHBondContact OG1-O 2.76Å; T935-S971 PolarHBondContact OG1-OG 3.19Å; N967-S971 PolarHBondContact O-N 3.35Å; F968-S971 PolarHBondContact O-OG 3.36Å |
| 972 | Q | 85.8 | Confident | 86.3 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -93.9 | 152.8 | 174.3 | -65.9 | 169.4 | -0.6 | 0 | 0 | 110.9 | A970 N974 P975 S980 | A970-Q972 VanDerWaalsContact C-N 3.26Å; A970-Q972 PolarHBondContact O-N 3.48Å; Q972-N974 PolarHBondContact O-N 3.3Å; Q972-N974 VanDerWaalsContact O-N 3.07Å; Q972-P975 WeakPolarHBondContact O-CD 3.48Å; Q972-S980 PolarHBondContact OE1-OG 2.96Å |
| 973 | E | 75.6 | Confident | 87.1 | Confident | 164 Ų | 164 | 52 Ų | 52 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -53.9 | -32 | -178.7 | -63.7 | -173 | 136.9 | 0 | 0 | 114.5 | ||
| 974 | N | 77.2 | Confident | 87.7 | Confident | 132 Ų | 132 | 49.5 Ų | 49.5 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -130.6 | 84.4 | 179.5 | -71.5 | -87.9 | 0 | 0 | 0 | 108.5 | Q972 N976 | Q972-N974 PolarHBondContact O-N 3.3Å; Q972-N974 VanDerWaalsContact O-N 3.07Å; N974-N976 PolarHBondContact O-N 3.06Å |
| 975 | P | 79.4 | Confident | 88.1 | Confident | 85 Ų | 85 | 49 Ų | 49 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | trans | -78.1 | 87.9 | -168.7 | 30.6 | -35.3 | 0 | 0 | 0 | 112.1 | C969 Q972 | C969-P975 WeakPolarHBondContact O-CA 3.23Å; C969-P975 WeakPolarHBondContact O-CB 3.23Å; Q972-P975 WeakPolarHBondContact O-CD 3.48Å | ||
| 976 | N | 87.2 | Confident | 88.2 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | trans | -115.4 | 104.5 | 164.6 | -175.1 | -3.1 | 0 | 0 | 0 | 110.5 | N974 R978 D979 S980 | N974-N976 PolarHBondContact O-N 3.06Å; N976-R978 VanDerWaalsContact C-N 3.26Å; N976-R978 PolarHBondContact O-N 2.93Å; N976-R978 PolarHBondContact OD1-N 3.47Å; N976-D979 HydrophobicContact CB-CB 4.2Å; N976-D979 PolarHBondContact ND2-OD2 2.93Å; N976-D979 PolarHBondContact O-N 3.42Å; N976-S980 WeakPolarHBondContact O-CB 3.43Å; N976-S980 PolarHBondContact O-N 2.96Å; N976-S980 PolarHBondContact O-OG 3.19Å | ||
| 977 | L | 90.1 | Very high | 88.2 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.1 | -36.9 | 179.6 | 179.7 | 62.5 | 0 | 0 | 0 | 113.1 | Y965 R966 C969 L981 F1007 E1010 | Y965-L977 HydrophobicContact CD1-CD1 3.96Å; Y965-L977 HydrophobicContact CE1-CD1 3.88Å; R966-L977 HydrophobicContact CG-CD1 4.33Å; R966-L977 HydrophobicContact CG-CD2 3.89Å; C969-L977 HydrophobicContact CB-CD1 3.98Å; L977-L981 WeakPolarHBondContact O-CB 3.24Å; L977-L981 PolarHBondContact O-N 2.8Å; L977-F1007 HydrophobicContact CD1-CD1 4.47Å; L977-F1007 HydrophobicContact CD1-CE1 4.07Å; L977-F1007 HydrophobicContact CD2-CD1 4.03Å; L977-F1007 HydrophobicContact CD2-CE1 4.08Å; L977-F1007 HydrophobicContact CG-CD1 4.44Å; L977-F1007 HydrophobicContact CG-CE1 4.47Å; L977-E1010 HydrophobicContact CD2-CG 4.23Å |
| 978 | R | 91 | Very high | 88.3 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -48 | 178.9 | 178.1 | -88.4 | 176 | -169.3 | -3.1 | 111 | N976 F982 D1014 E1016 | N976-R978 VanDerWaalsContact C-N 3.26Å; N976-R978 PolarHBondContact O-N 2.93Å; N976-R978 PolarHBondContact OD1-N 3.47Å; R978-F982 VanDerWaalsContact O-CB 3.27Å; R978-F982 WeakPolarHBondContact O-CB 3.41Å; R978-F982 PolarHBondContact O-N 2.9Å; R978-D1014 IonicContact CZ-OD2 2.8Å; R978-D1014 IonicContact NE-OD2 3.99Å; R978-D1014 PolarHBondContact NE-OD2 2.91Å; R978-D1014 IonicContact NH2-OD1 2.72Å; R978-D1014 PolarHBondContact NH2-OD1 3.31Å; R978-D1014 IonicContact NH2-OD2 2.68Å; R978-D1014 PolarHBondContact NH2-OD2 2.94Å; R978-E1016 IonicContact CZ-OE2 3.65Å; R978-E1016 IonicContact NH1-OE2 3.29Å; R978-E1016 PolarHBondContact NH1-OE2 3.4Å; R978-E1016 IonicContact NH2-OE2 2.86Å; R978-E1016 PolarHBondContact NH2-OE2 3.15Å |
| 979 | D | 90.9 | Very high | 88.3 | Confident | 74 Ų | 74 | 48 Ų | 48 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.9 | -38.2 | -175.9 | -67.7 | -22.2 | 0 | 0 | 0 | 111.6 | N976 F982 K983 | N976-D979 HydrophobicContact CB-CB 4.2Å; N976-D979 PolarHBondContact ND2-OD2 2.93Å; N976-D979 PolarHBondContact O-N 3.42Å; D979-F982 PolarHBondContact O-N 2.86Å; D979-K983 WeakPolarHBondContact O-CB 3.31Å; D979-K983 PolarHBondContact O-N 2.8Å |
| 980 | S | 91.2 | Very high | 88 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.5 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | Y965 Q972 N976 K983 D984 | Y965-S980 PolarHBondContact OH-O 3.43Å; Q972-S980 PolarHBondContact OE1-OG 2.96Å; N976-S980 WeakPolarHBondContact O-CB 3.43Å; N976-S980 PolarHBondContact O-N 2.96Å; N976-S980 PolarHBondContact O-OG 3.19Å; S980-K983 PolarHBondContact O-N 3.47Å; S980-D984 WeakPolarHBondContact O-CB 3.43Å; S980-D984 PolarHBondContact O-N 2.67Å |
| 981 | L | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 174.2 | -176.6 | 59.7 | 0 | 0 | 0 | 112.4 | L949 Y965 L977 M985 V1003 F1007 L1011 | L949-L981 HydrophobicContact CD1-CD1 3.71Å; L949-L981 HydrophobicContact CD2-CD1 4.33Å; Y965-L981 HydrophobicContact CE1-CB 4.17Å; Y965-L981 HydrophobicContact CE1-CD1 3.82Å; Y965-L981 WeakPolarHBondContact OH-CA 3.35Å; Y965-L981 PolarHBondContact OH-N 2.89Å; L977-L981 WeakPolarHBondContact O-CB 3.24Å; L977-L981 PolarHBondContact O-N 2.8Å; L981-M985 HydrophobicContact CD1-CG 3.97Å; L981-M985 HydrophobicContact CG-CG 4.43Å; L981-M985 WeakPolarHBondContact O-CB 3.26Å; L981-M985 VanDerWaalsContact O-CG 3.23Å; L981-M985 WeakPolarHBondContact O-CG 3.34Å; L981-M985 PolarHBondContact O-N 2.89Å; L981-V1003 HydrophobicContact CD1-CG1 3.95Å; L981-V1003 HydrophobicContact CD2-CG1 4.15Å; L981-V1003 HydrophobicContact CG-CG1 4.37Å; L981-F1007 HydrophobicContact CD1-CD2 4.38Å; L981-F1007 HydrophobicContact CD1-CE2 4.49Å; L981-F1007 HydrophobicContact CD2-CB 3.5Å; L981-F1007 HydrophobicContact CD2-CD1 4.07Å; L981-F1007 HydrophobicContact CD2-CD2 3.56Å; L981-F1007 HydrophobicContact CD2-CE2 4.3Å; L981-F1007 HydrophobicContact CD2-CG 3.43Å; L981-F1007 VanDerWaalsContact CD2-CG 3.43Å; L981-L1011 HydrophobicContact CD2-CD1 3.94Å; L981-L1011 HydrophobicContact CD2-CD2 4.2Å; L981-L1011 HydrophobicContact CD2-CG 4.23Å |
| 982 | F | 93 | Very high | 87.4 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 173.2 | -179.1 | -83.3 | 0 | 0 | 0 | 110.7 | R978 D979 M985 Q986 E1016 F1017 L1020 | R978-F982 VanDerWaalsContact O-CB 3.27Å; R978-F982 WeakPolarHBondContact O-CB 3.41Å; R978-F982 PolarHBondContact O-N 2.9Å; D979-F982 PolarHBondContact O-N 2.86Å; F982-M985 PolarHBondContact O-N 3.13Å; F982-Q986 HydrophobicContact CE1-CB 4.41Å; F982-Q986 WeakPolarHBondContact O-CB 3.46Å; F982-Q986 PolarHBondContact O-N 3.41Å; F982-E1016 HydrophobicContact CE2-CB 4.04Å; F982-E1016 HydrophobicContact CE2-CG 3.61Å; F982-E1016 HydrophobicContact CZ-CG 3.7Å; F982-F1017 HydrophobicContact CB-CD2 4.49Å; F982-F1017 HydrophobicContact CD2-CB 4.21Å; F982-F1017 AromaticContact CD2-CD2 3.89Å; F982-F1017 HydrophobicContact CD2-CD2 3.89Å; F982-L1020 HydrophobicContact CD2-CD2 4.33Å; F982-L1020 HydrophobicContact CE2-CB 4.21Å; F982-L1020 HydrophobicContact CE2-CD2 4.02Å; F982-L1020 HydrophobicContact CZ-CD2 4.29Å |
| 983 | K | 91.5 | Very high | 87.4 | Confident | 112 Ų | 112 | 57 Ų | 57 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 179.3 | -179.4 | -175.4 | 176.7 | -171.6 | 0 | 112.4 | D979 S980 Q986 L987 | D979-K983 WeakPolarHBondContact O-CB 3.31Å; D979-K983 PolarHBondContact O-N 2.8Å; S980-K983 PolarHBondContact O-N 3.47Å; K983-Q986 PolarHBondContact O-N 3.43Å; K983-L987 HydrophobicContact CG-CD1 4.27Å; K983-L987 WeakPolarHBondContact O-CG 3.42Å; K983-L987 PolarHBondContact O-N 2.65Å |
| 984 | D | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.9 | -80.1 | -31.8 | 0 | 0 | 0 | 111.5 | Q938 G945 L949 Y965 S980 Q986 L987 L988 | Q938-D984 PolarHBondContact NE2-OD1 3.08Å; Q938-D984 VanDerWaalsContact NE2-OD1 3.08Å; Q938-D984 PolarHBondContact NE2-OD2 3.26Å; G945-D984 VanDerWaalsContact CA-OD2 3.28Å; G945-D984 WeakPolarHBondContact CA-OD2 3.48Å; L949-D984 HydrophobicContact CD1-CB 4.45Å; Y965-D984 WeakPolarHBondContact CE2-OD2 3.37Å; Y965-D984 PolarHBondContact OH-OD2 3.39Å; S980-D984 WeakPolarHBondContact O-CB 3.43Å; S980-D984 PolarHBondContact O-N 2.67Å; D984-Q986 VanDerWaalsContact C-N 3.35Å; D984-L987 PolarHBondContact O-N 3.19Å; D984-L988 VanDerWaalsContact O-CB 3.3Å; D984-L988 WeakPolarHBondContact O-CB 3.18Å; D984-L988 PolarHBondContact O-N 2.6Å |
| 985 | M | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69 | -30.9 | 175.4 | -71.3 | -67.9 | -75.5 | 0 | 0 | 112.6 | L949 L981 F982 L988 S989 F996 L1000 V1003 F1017 L1020 | L949-M985 HydrophobicContact CD1-SD 4.26Å; L981-M985 HydrophobicContact CD1-CG 3.97Å; L981-M985 HydrophobicContact CG-CG 4.43Å; L981-M985 WeakPolarHBondContact O-CB 3.26Å; L981-M985 VanDerWaalsContact O-CG 3.23Å; L981-M985 WeakPolarHBondContact O-CG 3.34Å; L981-M985 PolarHBondContact O-N 2.89Å; F982-M985 PolarHBondContact O-N 3.13Å; M985-L988 HydrophobicContact SD-CD2 3.95Å; M985-S989 WeakPolarHBondContact O-CB 3.46Å; M985-S989 PolarHBondContact O-N 3.19Å; M985-F996 HydrophobicContact CB-CE2 4.16Å; M985-F996 HydrophobicContact CE-CD2 3.88Å; M985-F996 HydrophobicContact CE-CE2 3.86Å; M985-F996 HydrophobicContact CE-CZ 4.49Å; M985-F996 VanDerWaalsContact O-CD2 3.27Å; M985-F996 WeakPolarHBondContact O-CD2 3.44Å; M985-F996 WeakPolarHBondContact O-CE2 3.49Å; M985-L1000 HydrophobicContact CE-CD1 4.21Å; M985-V1003 HydrophobicContact CE-CB 4.31Å; M985-V1003 HydrophobicContact CE-CG1 4.1Å; M985-V1003 HydrophobicContact CE-CG2 4.33Å; M985-V1003 HydrophobicContact CG-CG1 4.34Å; M985-V1003 HydrophobicContact SD-CG1 4.23Å; M985-V1003 HydrophobicContact SD-CG2 4.1Å; M985-F1017 HydrophobicContact CB-CE2 3.9Å; M985-F1017 HydrophobicContact CB-CZ 4.19Å; M985-F1017 HydrophobicContact CE-CZ 4.18Å; M985-F1017 HydrophobicContact CG-CE2 4.03Å; M985-F1017 HydrophobicContact CG-CZ 4.06Å; M985-L1020 HydrophobicContact CB-CD2 4.49Å |
| 986 | Q | 92.4 | Very high | 88.8 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.6 | -48.4 | 173.3 | -174.7 | 176.8 | 31.2 | 0 | 0 | 111.1 | F982 K983 D984 L988 S989 D990 L1020 | F982-Q986 HydrophobicContact CE1-CB 4.41Å; F982-Q986 WeakPolarHBondContact O-CB 3.46Å; F982-Q986 PolarHBondContact O-N 3.41Å; K983-Q986 PolarHBondContact O-N 3.43Å; D984-Q986 VanDerWaalsContact C-N 3.35Å; Q986-L988 VanDerWaalsContact C-N 3.29Å; Q986-L988 PolarHBondContact O-N 3.48Å; Q986-S989 WeakPolarHBondContact O-CA 3.48Å; Q986-S989 VanDerWaalsContact O-CB 3.31Å; Q986-S989 WeakPolarHBondContact O-CB 3.32Å; Q986-S989 PolarHBondContact O-N 2.93Å; Q986-S989 PolarHBondContact O-OG 3Å; Q986-D990 PolarHBondContact O-N 3.39Å; Q986-D990 VanDerWaalsContact O-N 3.08Å; Q986-L1020 HydrophobicContact CB-CD1 4.35Å; Q986-L1020 HydrophobicContact CB-CD2 4.13Å; Q986-L1020 HydrophobicContact CG-CD1 4.18Å |
| 987 | L | 88.6 | Confident | 88.9 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 173.8 | -71.4 | 166.9 | 0 | 0 | 0 | 111.3 | Y721 P942 Y946 K983 D984 S989 D990 D991 | Y721-L987 HydrophobicContact CD1-CD2 4.34Å; Y721-L987 HydrophobicContact CE1-CD2 4.39Å; P942-L987 HydrophobicContact CB-CD1 3.83Å; P942-L987 HydrophobicContact CG-CD1 4.32Å; Y946-L987 HydrophobicContact CD1-CB 4.02Å; Y946-L987 HydrophobicContact CE1-CB 4.09Å; K983-L987 HydrophobicContact CG-CD1 4.27Å; K983-L987 WeakPolarHBondContact O-CG 3.42Å; K983-L987 PolarHBondContact O-N 2.65Å; D984-L987 PolarHBondContact O-N 3.19Å; L987-S989 VanDerWaalsContact C-N 3.29Å; L987-S989 PolarHBondContact O-N 2.74Å; L987-D990 PolarHBondContact O-N 2.7Å; L987-D991 WeakPolarHBondContact O-CB 3.4Å; L987-D991 PolarHBondContact O-N 2.91Å |
| 988 | L | 89.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -33.8 | 173.2 | 177.4 | 59.8 | 0 | 0 | 0 | 112.8 | Y946 D984 M985 Q986 N992 L995 F996 L999 | Y946-L988 HydrophobicContact CD1-CB 3.92Å; Y946-L988 HydrophobicContact CD2-CB 4.24Å; Y946-L988 HydrophobicContact CD2-CD1 3.79Å; Y946-L988 HydrophobicContact CD2-CG 4.46Å; Y946-L988 HydrophobicContact CE1-CB 4.49Å; Y946-L988 HydrophobicContact CE2-CD1 4.04Å; Y946-L988 HydrophobicContact CG-CB 3.8Å; Y946-L988 HydrophobicContact CG-CD1 4.24Å; Y946-L988 HydrophobicContact CG-CG 4.46Å; D984-L988 VanDerWaalsContact O-CB 3.3Å; D984-L988 WeakPolarHBondContact O-CB 3.18Å; D984-L988 PolarHBondContact O-N 2.6Å; M985-L988 HydrophobicContact SD-CD2 3.95Å; Q986-L988 VanDerWaalsContact C-N 3.29Å; Q986-L988 PolarHBondContact O-N 3.48Å; L988-N992 CarbonylContact O-C 3.59Å; L988-N992 WeakPolarHBondContact O-CA 3.48Å; L988-N992 PolarHBondContact O-N 3.49Å; L988-L995 HydrophobicContact CD1-CB 4.04Å; L988-L995 HydrophobicContact CD1-CD2 3.67Å; L988-L995 HydrophobicContact CD1-CG 3.77Å; L988-L995 HydrophobicContact CD2-CG 4.49Å; L988-F996 HydrophobicContact CD2-CB 4.39Å; L988-F996 HydrophobicContact CG-CB 4.11Å; L988-L999 HydrophobicContact CD2-CB 4.43Å; L988-L999 HydrophobicContact CD2-CD1 3.65Å |
| 989 | S | 89.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.8 | 83.6 | 0 | 0 | 0 | 0 | 111.8 | M985 Q986 L987 R993 T1024 | M985-S989 WeakPolarHBondContact O-CB 3.46Å; M985-S989 PolarHBondContact O-N 3.19Å; Q986-S989 WeakPolarHBondContact O-CA 3.48Å; Q986-S989 VanDerWaalsContact O-CB 3.31Å; Q986-S989 WeakPolarHBondContact O-CB 3.32Å; Q986-S989 PolarHBondContact O-N 2.93Å; Q986-S989 PolarHBondContact O-OG 3Å; L987-S989 VanDerWaalsContact C-N 3.29Å; L987-S989 PolarHBondContact O-N 2.74Å; S989-R993 WeakPolarHBondContact O-CG 3.4Å; S989-R993 PolarHBondContact O-N 3.33Å; S989-T1024 WeakPolarHBondContact CB-OG1 3.37Å |
| 990 | D | 84.3 | Confident | 88.8 | Confident | 120 Ų | 120 | 36.4 Ų | 36.4 | 64% | 0.642 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -71.2 | -42.9 | 177.9 | -75.7 | -41.1 | 0 | 0 | 0 | 111.6 | Q986 L987 | Q986-D990 PolarHBondContact O-N 3.39Å; Q986-D990 VanDerWaalsContact O-N 3.08Å; L987-D990 PolarHBondContact O-N 2.7Å |
| 991 | D | 78.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.4 | -43.2 | -179.1 | -79.1 | -39.4 | 0 | 0 | 0 | 113.4 | Y721 R943 Y946 L987 | Y721-D991 PolarHBondContact OH-OD1 2.97Å; R943-D991 IonicContact CZ-OD1 2.69Å; R943-D991 IonicContact CZ-OD2 3.35Å; R943-D991 IonicContact NE-OD1 3.92Å; R943-D991 IonicContact NE-OD2 3.66Å; R943-D991 PolarHBondContact NE-OD2 3.06Å; R943-D991 IonicContact NH2-OD1 3.48Å; R943-D991 PolarHBondContact NH2-OD1 2.72Å; R943-D991 IonicContact NH2-OD2 2.94Å; R943-D991 PolarHBondContact NH2-OD2 3.41Å; Y946-D991 PolarHBondContact OH-OD2 2.96Å; Y946-D991 VanDerWaalsContact OH-OD2 3.05Å; L987-D991 WeakPolarHBondContact O-CB 3.4Å; L987-D991 PolarHBondContact O-N 2.91Å |
| 992 | N | 81.9 | Confident | 88.6 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -157.1 | 80.5 | -177.9 | -168.1 | -10.5 | 0 | 0 | 0 | 114 | M891 L988 R994 L995 F996 | M891-N992 WeakPolarHBondContact CB-ND2 3.47Å; M891-N992 VanDerWaalsContact CG-ND2 3.33Å; M891-N992 WeakPolarHBondContact CG-ND2 3.33Å; L988-N992 CarbonylContact O-C 3.59Å; L988-N992 WeakPolarHBondContact O-CA 3.48Å; L988-N992 PolarHBondContact O-N 3.49Å; N992-R994 PolarHBondContact O-N 3.05Å; N992-R994 PolarHBondContact OD1-N 3.23Å; N992-L995 HydrophobicContact CB-CB 4.02Å; N992-L995 WeakPolarHBondContact O-CA 3.35Å; N992-L995 PolarHBondContact O-N 3.21Å; N992-L995 PolarHBondContact OD1-N 3.29Å; N992-F996 PolarHBondContact O-N 2.91Å |
| 993 | R | 87.7 | Confident | 88.4 | Confident | 122 Ų | 122 | 38 Ų | 38 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -42.4 | -31.9 | 170.1 | -53.9 | 175 | 75.1 | 125.4 | -2.7 | 115.2 | S989 A997 A1023 T1024 M1029 | S989-R993 WeakPolarHBondContact O-CG 3.4Å; S989-R993 PolarHBondContact O-N 3.33Å; R993-A997 PolarHBondContact O-N 3.46Å; R993-A1023 PolarHBondContact NH2-O 2.85Å; R993-T1024 HydrophobicContact CB-CG2 4.1Å; R993-T1024 HydrophobicContact CG-CG2 4.1Å; R993-T1024 PolarHBondContact NE-O 3.32Å; R993-T1024 PolarHBondContact NH2-O 2.9Å; R993-M1029 HydrophobicContact CB-CE 3.86Å; R993-M1029 VanDerWaalsContact O-SD 3.39Å |
| 994 | R | 84.3 | Confident | 88.3 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 32% | 0.317 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -77 | -36.8 | 177.3 | -172.7 | -175.1 | 170.8 | 156.7 | 6.5 | 112.2 | G894 V895 W897 N992 Y998 M1029 | G894-R994 PolarHBondContact O-NH1 2.87Å; V895-R994 VanDerWaalsContact O-CZ 3.31Å; V895-R994 PolarHBondContact O-NH1 2.97Å; V895-R994 PolarHBondContact O-NH2 3.48Å; W897-R994 HydrophobicContact CH2-CB 3.9Å; W897-R994 HydrophobicContact CH2-CG 3.49Å; W897-R994 VanDerWaalsContact CH2-CG 3.49Å; W897-R994 HydrophobicContact CZ2-CB 4.36Å; W897-R994 HydrophobicContact CZ2-CG 3.97Å; W897-R994 HydrophobicContact CZ3-CG 4Å; N992-R994 PolarHBondContact O-N 3.05Å; N992-R994 PolarHBondContact OD1-N 3.23Å; R994-Y998 PolarHBondContact O-N 3.22Å; R994-M1029 HydrophobicContact CB-SD 4.37Å |
| 995 | L | 85.9 | Confident | 88 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.8 | -39.1 | 175 | 175.2 | 59 | 0 | 0 | 0 | 110.7 | M891 W897 F950 L988 N992 A997 Y998 L999 | M891-L995 HydrophobicContact CE-CB 4.37Å; M891-L995 HydrophobicContact CE-CD1 3.81Å; M891-L995 HydrophobicContact CE-CD2 4.45Å; M891-L995 HydrophobicContact CE-CG 4.41Å; M891-L995 HydrophobicContact CG-CB 4.3Å; M891-L995 HydrophobicContact CG-CD2 3.82Å; M891-L995 HydrophobicContact SD-CD1 4.23Å; M891-L995 HydrophobicContact SD-CD2 3.93Å; W897-L995 HydrophobicContact CH2-CB 4.13Å; F950-L995 HydrophobicContact CD2-CD1 3.68Å; F950-L995 HydrophobicContact CD2-CD2 3.69Å; F950-L995 HydrophobicContact CD2-CG 4.32Å; F950-L995 HydrophobicContact CE2-CD1 3.95Å; F950-L995 HydrophobicContact CE2-CD2 4.1Å; F950-L995 HydrophobicContact CG-CD2 4.37Å; L988-L995 HydrophobicContact CD1-CB 4.04Å; L988-L995 HydrophobicContact CD1-CD2 3.67Å; L988-L995 HydrophobicContact CD1-CG 3.77Å; L988-L995 HydrophobicContact CD2-CG 4.49Å; N992-L995 HydrophobicContact CB-CB 4.02Å; N992-L995 WeakPolarHBondContact O-CA 3.35Å; N992-L995 PolarHBondContact O-N 3.21Å; N992-L995 PolarHBondContact OD1-N 3.29Å; L995-A997 VanDerWaalsContact C-N 3.34Å; L995-A997 PolarHBondContact O-N 3.48Å; L995-Y998 HydrophobicContact CD1-CD1 3.89Å; L995-Y998 PolarHBondContact O-N 2.88Å; L995-L999 HydrophobicContact CD1-CD1 3.85Å; L995-L999 HydrophobicContact CD1-CG 4.12Å; L995-L999 HydrophobicContact CD2-CD1 4.44Å; L995-L999 HydrophobicContact CG-CD1 3.98Å; L995-L999 PolarHBondContact O-N 3.33Å |
| 996 | F | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -47.8 | -55.5 | 167.4 | 176.7 | -86.5 | 0 | 0 | 0 | 111.2 | M985 L988 N992 Y998 L999 L1000 L1020 I1021 T1024 | M985-F996 HydrophobicContact CB-CE2 4.16Å; M985-F996 HydrophobicContact CE-CD2 3.88Å; M985-F996 HydrophobicContact CE-CE2 3.86Å; M985-F996 HydrophobicContact CE-CZ 4.49Å; M985-F996 VanDerWaalsContact O-CD2 3.27Å; M985-F996 WeakPolarHBondContact O-CD2 3.44Å; M985-F996 WeakPolarHBondContact O-CE2 3.49Å; L988-F996 HydrophobicContact CD2-CB 4.39Å; L988-F996 HydrophobicContact CG-CB 4.11Å; N992-F996 PolarHBondContact O-N 2.91Å; F996-Y998 PolarHBondContact O-N 3.15Å; F996-Y998 VanDerWaalsContact O-N 3.13Å; F996-L999 PolarHBondContact O-N 3.38Å; F996-L1000 HydrophobicContact CE1-CD2 4.18Å; F996-L1000 VanDerWaalsContact O-CB 3.29Å; F996-L1000 WeakPolarHBondContact O-CB 3.3Å; F996-L1000 PolarHBondContact O-N 2.9Å; F996-L1020 HydrophobicContact CE2-CD2 4.2Å; F996-L1020 HydrophobicContact CE2-CG 4.21Å; F996-L1020 HydrophobicContact CZ-CG 4.24Å; F996-I1021 HydrophobicContact CE1-CG1 4.27Å; F996-I1021 HydrophobicContact CZ-CG1 4.01Å; F996-T1024 HydrophobicContact CB-CG2 4.3Å; F996-T1024 HydrophobicContact CD1-CG2 3.43Å; F996-T1024 VanDerWaalsContact CD1-CG2 3.43Å; F996-T1024 HydrophobicContact CD2-CG2 4.36Å; F996-T1024 HydrophobicContact CE1-CG2 3.73Å; F996-T1024 HydrophobicContact CG-CG2 3.79Å; F996-T1024 HydrophobicContact CZ-CG2 4.3Å |
| 997 | A | 89.7 | Confident | 87.5 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -10.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R993 L995 M1029 | R993-A997 PolarHBondContact O-N 3.46Å; L995-A997 VanDerWaalsContact C-N 3.34Å; L995-A997 PolarHBondContact O-N 3.48Å; A997-M1029 HydrophobicContact CB-CB 4.06Å; A997-M1029 HydrophobicContact CB-CG 4.23Å; A997-M1029 HydrophobicContact CB-SD 3.8Å |
| 998 | Y | 88.1 | Confident | 87.4 | Confident | 74 Ų | 74 | 35.8 Ų | 35.8 | 29% | 0.29 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -96.6 | -30.4 | 175.1 | 173.1 | -100 | 0 | 0 | 0 | 113 | W897 L902 K953 R994 L995 F996 | W897-Y998 HydrophobicContact CZ3-CG 4.2Å; L902-Y998 HydrophobicContact CD1-CE1 4.04Å; K953-Y998 HydrophobicContact CD-CD1 4.2Å; K953-Y998 HydrophobicContact CD-CE1 3.75Å; K953-Y998 VanDerWaalsContact CE-CE1 3.48Å; K953-Y998 VanDerWaalsContact CE-CZ 3.48Å; K953-Y998 PolarHBondContact NZ-O 3.43Å; R994-Y998 PolarHBondContact O-N 3.22Å; L995-Y998 HydrophobicContact CD1-CD1 3.89Å; L995-Y998 PolarHBondContact O-N 2.88Å; F996-Y998 PolarHBondContact O-N 3.15Å; F996-Y998 VanDerWaalsContact O-N 3.13Å |
| 999 | L | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -83.7 | -24.7 | 173.3 | -90.4 | 164.2 | 0 | 0 | 0 | 113.1 | F950 K953 L988 L995 F996 P1001 D1002 V1003 | F950-L999 HydrophobicContact CB-CD1 4.24Å; K953-L999 HydrophobicContact CB-CD2 3.58Å; K953-L999 HydrophobicContact CD-CD2 3.75Å; K953-L999 HydrophobicContact CD-CG 4.35Å; K953-L999 HydrophobicContact CG-CD2 4.24Å; L988-L999 HydrophobicContact CD2-CB 4.43Å; L988-L999 HydrophobicContact CD2-CD1 3.65Å; L995-L999 HydrophobicContact CD1-CD1 3.85Å; L995-L999 HydrophobicContact CD1-CG 4.12Å; L995-L999 HydrophobicContact CD2-CD1 4.44Å; L995-L999 HydrophobicContact CG-CD1 3.98Å; L995-L999 PolarHBondContact O-N 3.33Å; F996-L999 PolarHBondContact O-N 3.38Å; L999-P1001 VanDerWaalsContact C-CD 3.48Å; L999-D1002 PolarHBondContact O-N 3.08Å; L999-V1003 HydrophobicContact CB-CG2 4.4Å; L999-V1003 WeakPolarHBondContact O-CB 3.34Å; L999-V1003 WeakPolarHBondContact O-CG2 3.35Å; L999-V1003 PolarHBondContact O-N 2.76Å |
| 1000 | L | 92.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.9 | -41.9 | -174.4 | -179.7 | 63.8 | 0 | 0 | 0 | 114.9 | M985 F996 D1002 F1004 F1017 I1021 L1033 | M985-L1000 HydrophobicContact CE-CD1 4.21Å; F996-L1000 HydrophobicContact CE1-CD2 4.18Å; F996-L1000 VanDerWaalsContact O-CB 3.29Å; F996-L1000 WeakPolarHBondContact O-CB 3.3Å; F996-L1000 PolarHBondContact O-N 2.9Å; L1000-D1002 PolarHBondContact O-N 3.44Å; L1000-F1004 HydrophobicContact CD1-CB 4.48Å; L1000-F1004 HydrophobicContact CD1-CD2 4.39Å; L1000-F1004 VanDerWaalsContact O-CB 3.27Å; L1000-F1004 WeakPolarHBondContact O-CB 3.47Å; L1000-F1004 PolarHBondContact O-N 3.1Å; L1000-F1017 HydrophobicContact CD1-CE1 3.8Å; L1000-F1017 HydrophobicContact CD1-CZ 4.31Å; L1000-I1021 HydrophobicContact CD1-CD1 3.77Å; L1000-I1021 HydrophobicContact CD1-CG1 3.91Å; L1000-I1021 HydrophobicContact CD2-CB 4.4Å; L1000-I1021 HydrophobicContact CD2-CD1 3.96Å; L1000-I1021 HydrophobicContact CD2-CG1 3.79Å; L1000-I1021 HydrophobicContact CD2-CG2 3.74Å; L1000-I1021 HydrophobicContact CG-CD1 4.44Å; L1000-L1033 HydrophobicContact CD2-CD1 3.65Å; L1000-L1033 HydrophobicContact CD2-CD2 3.97Å; L1000-L1033 HydrophobicContact CD2-CG 4.49Å |
| 1001 | P | 90.2 | Very high | 87 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.104 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 179.3 | -25.1 | 36.2 | 0 | 0 | 0 | 113.1 | L999 T1005 E1036 L1042 | L999-P1001 VanDerWaalsContact C-CD 3.48Å; P1001-T1005 VanDerWaalsContact O-CB 3.3Å; P1001-T1005 WeakPolarHBondContact O-CB 3.36Å; P1001-T1005 PolarHBondContact O-N 2.91Å; P1001-T1005 PolarHBondContact O-OG1 2.87Å; P1001-E1036 HydrophobicContact CG-CG 4.24Å; P1001-L1042 HydrophobicContact CB-CB 4.39Å |
| 1002 | D | 88.1 | Confident | 87 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -73.8 | -44.2 | -175.6 | -29.9 | -122.1 | 0 | 0 | 0 | 110.2 | K953 L999 L1000 T1005 V1006 | K953-D1002 WeakPolarHBondContact CD-OD1 3.48Å; K953-D1002 WeakPolarHBondContact CD-OD2 3.25Å; K953-D1002 WeakPolarHBondContact CE-OD1 3.22Å; K953-D1002 IonicContact NZ-OD1 3.24Å; K953-D1002 PolarHBondContact NZ-OD1 3.45Å; K953-D1002 IonicContact NZ-OD2 2.71Å; K953-D1002 PolarHBondContact NZ-OD2 2.78Å; L999-D1002 PolarHBondContact O-N 3.08Å; L1000-D1002 PolarHBondContact O-N 3.44Å; D1002-T1005 PolarHBondContact O-N 3.38Å; D1002-V1006 WeakPolarHBondContact O-CG2 3.46Å; D1002-V1006 PolarHBondContact O-N 3.08Å |
| 1003 | V | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 173.8 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | M962 L981 M985 L999 T1005 V1006 F1007 L1011 F1017 | M962-V1003 HydrophobicContact CE-CG2 4.39Å; L981-V1003 HydrophobicContact CD1-CG1 3.95Å; L981-V1003 HydrophobicContact CD2-CG1 4.15Å; L981-V1003 HydrophobicContact CG-CG1 4.37Å; M985-V1003 HydrophobicContact CE-CB 4.31Å; M985-V1003 HydrophobicContact CE-CG1 4.1Å; M985-V1003 HydrophobicContact CE-CG2 4.33Å; M985-V1003 HydrophobicContact CG-CG1 4.34Å; M985-V1003 HydrophobicContact SD-CG1 4.23Å; M985-V1003 HydrophobicContact SD-CG2 4.1Å; L999-V1003 HydrophobicContact CB-CG2 4.4Å; L999-V1003 WeakPolarHBondContact O-CB 3.34Å; L999-V1003 WeakPolarHBondContact O-CG2 3.35Å; L999-V1003 PolarHBondContact O-N 2.76Å; V1003-T1005 VanDerWaalsContact C-N 3.31Å; V1003-T1005 PolarHBondContact O-N 3.26Å; V1003-V1006 PolarHBondContact O-N 3.48Å; V1003-F1007 HydrophobicContact CG1-CD2 4.17Å; V1003-F1007 WeakPolarHBondContact O-CB 3.43Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.49Å; V1003-F1007 PolarHBondContact O-N 3.22Å; V1003-L1011 HydrophobicContact CG1-CD1 4.12Å; V1003-F1017 HydrophobicContact CG1-CZ 4.43Å |
| 1004 | F | 88.7 | Confident | 87 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.3 | -24.6 | -179.3 | -147.9 | -82 | 0 | 0 | 0 | 112.8 | L1000 S1008 L1011 F1017 I1021 L1042 N1043 L1044 | L1000-F1004 HydrophobicContact CD1-CB 4.48Å; L1000-F1004 HydrophobicContact CD1-CD2 4.39Å; L1000-F1004 VanDerWaalsContact O-CB 3.27Å; L1000-F1004 WeakPolarHBondContact O-CB 3.47Å; L1000-F1004 PolarHBondContact O-N 3.1Å; F1004-S1008 WeakPolarHBondContact O-CA 3.32Å; F1004-S1008 WeakPolarHBondContact O-CB 3.29Å; F1004-S1008 PolarHBondContact O-N 3.38Å; F1004-L1011 HydrophobicContact CD2-CB 4.08Å; F1004-L1011 HydrophobicContact CD2-CD1 3.91Å; F1004-L1011 HydrophobicContact CE2-CB 3.67Å; F1004-L1011 HydrophobicContact CE2-CD1 4.29Å; F1004-L1011 HydrophobicContact CZ-CB 4.01Å; F1004-F1017 HydrophobicContact CD2-CD1 4.23Å; F1004-F1017 AromaticContact CD2-CE1 3.94Å; F1004-F1017 HydrophobicContact CD2-CE1 3.94Å; F1004-F1017 HydrophobicContact CE2-CD1 4.02Å; F1004-F1017 HydrophobicContact CE2-CE1 4.22Å; F1004-I1021 HydrophobicContact CD2-CD1 4.4Å; F1004-I1021 HydrophobicContact CE2-CD1 4.38Å; F1004-L1042 HydrophobicContact CB-CD1 3.75Å; F1004-L1042 HydrophobicContact CD1-CD1 4.29Å; F1004-L1042 HydrophobicContact CG-CD1 4.15Å; F1004-N1043 VanDerWaalsContact CD1-O 3.25Å; F1004-N1043 WeakPolarHBondContact CD1-O 3.43Å; F1004-N1043 VanDerWaalsContact CE1-O 3.28Å; F1004-N1043 WeakPolarHBondContact CE1-O 3.5Å; F1004-L1044 HydrophobicContact CD1-CD2 4.19Å; F1004-L1044 HydrophobicContact CD2-CD2 3.88Å; F1004-L1044 HydrophobicContact CE1-CD2 4.26Å; F1004-L1044 HydrophobicContact CE2-CD2 3.93Å; F1004-L1044 HydrophobicContact CG-CD2 4.01Å; F1004-L1044 HydrophobicContact CZ-CD2 4.12Å |
| 1005 | T | 86.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 48% | 0.479 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.4 | -48 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | P1001 D1002 V1003 S1008 | P1001-T1005 VanDerWaalsContact O-CB 3.3Å; P1001-T1005 WeakPolarHBondContact O-CB 3.36Å; P1001-T1005 PolarHBondContact O-N 2.91Å; P1001-T1005 PolarHBondContact O-OG1 2.87Å; D1002-T1005 PolarHBondContact O-N 3.38Å; V1003-T1005 VanDerWaalsContact C-N 3.31Å; V1003-T1005 PolarHBondContact O-N 3.26Å; T1005-S1008 PolarHBondContact O-OG 3.33Å |
| 1006 | V | 85.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -85 | -23.1 | -173.1 | -177.3 | 0 | 0 | 0 | 0 | 114.2 | M962 R966 D1002 V1003 | M962-V1006 HydrophobicContact CB-CB 4.45Å; M962-V1006 HydrophobicContact CB-CG1 3.47Å; M962-V1006 VanDerWaalsContact CB-CG1 3.47Å; M962-V1006 HydrophobicContact CG-CB 4.26Å; M962-V1006 HydrophobicContact CG-CG1 3.8Å; M962-V1006 HydrophobicContact CG-CG2 4.3Å; R966-V1006 PolarHBondContact NH2-O 3.47Å; R966-V1006 VanDerWaalsContact NH2-O 3.13Å; D1002-V1006 WeakPolarHBondContact O-CG2 3.46Å; D1002-V1006 PolarHBondContact O-N 3.08Å; V1003-V1006 PolarHBondContact O-N 3.48Å |
| 1007 | F | 88.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 27.3 | 173.2 | -54.4 | -75.5 | 0 | 0 | 0 | 111.6 | L949 M962 Y965 R966 L977 L981 V1003 S1009 E1010 L1011 | L949-F1007 HydrophobicContact CD2-CE2 4.29Å; M962-F1007 HydrophobicContact CB-CZ 4.32Å; M962-F1007 HydrophobicContact CE-CE2 3.93Å; M962-F1007 HydrophobicContact SD-CE2 3.78Å; M962-F1007 HydrophobicContact SD-CZ 3.96Å; Y965-F1007 HydrophobicContact CD1-CE1 4.23Å; Y965-F1007 HydrophobicContact CD1-CE2 4.31Å; Y965-F1007 AromaticContact CD1-CZ 3.67Å; Y965-F1007 HydrophobicContact CD1-CZ 3.67Å; Y965-F1007 HydrophobicContact CE1-CZ 4.48Å; Y965-F1007 HydrophobicContact CG-CZ 4.42Å; R966-F1007 HydrophobicContact CG-CE1 3.77Å; R966-F1007 HydrophobicContact CG-CZ 4.5Å; L977-F1007 HydrophobicContact CD1-CD1 4.47Å; L977-F1007 HydrophobicContact CD1-CE1 4.07Å; L977-F1007 HydrophobicContact CD2-CD1 4.03Å; L977-F1007 HydrophobicContact CD2-CE1 4.08Å; L977-F1007 HydrophobicContact CG-CD1 4.44Å; L977-F1007 HydrophobicContact CG-CE1 4.47Å; L981-F1007 HydrophobicContact CD1-CD2 4.38Å; L981-F1007 HydrophobicContact CD1-CE2 4.49Å; L981-F1007 HydrophobicContact CD2-CB 3.5Å; L981-F1007 HydrophobicContact CD2-CD1 4.07Å; L981-F1007 HydrophobicContact CD2-CD2 3.56Å; L981-F1007 HydrophobicContact CD2-CE2 4.3Å; L981-F1007 HydrophobicContact CD2-CG 3.43Å; L981-F1007 VanDerWaalsContact CD2-CG 3.43Å; V1003-F1007 HydrophobicContact CG1-CD2 4.17Å; V1003-F1007 WeakPolarHBondContact O-CB 3.43Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.49Å; V1003-F1007 PolarHBondContact O-N 3.22Å; F1007-S1009 VanDerWaalsContact C-N 3.28Å; F1007-S1009 PolarHBondContact O-N 3.34Å; F1007-E1010 WeakPolarHBondContact CA-OE2 3.39Å; F1007-E1010 PolarHBondContact O-N 3.21Å; F1007-L1011 HydrophobicContact CB-CD1 4.07Å; F1007-L1011 HydrophobicContact CB-CG 4.23Å; F1007-L1011 WeakPolarHBondContact O-CB 3.48Å; F1007-L1011 WeakPolarHBondContact O-CG 3.44Å; F1007-L1011 PolarHBondContact O-N 3.22Å |
| 1008 | S | 86.1 | Confident | 88 | Confident | 44 Ų | 44 | 32.9 Ų | 32.9 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.1 | -39.6 | -179.5 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | F1004 T1005 E1010 S1012 | F1004-S1008 WeakPolarHBondContact O-CA 3.32Å; F1004-S1008 WeakPolarHBondContact O-CB 3.29Å; F1004-S1008 PolarHBondContact O-N 3.38Å; T1005-S1008 PolarHBondContact O-OG 3.33Å; S1008-E1010 PolarHBondContact O-N 2.95Å; S1008-S1012 WeakPolarHBondContact O-CB 3.42Å; S1008-S1012 PolarHBondContact O-N 2.78Å; S1008-S1012 PolarHBondContact O-OG 2.92Å |
| 1009 | S | 84.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 34.6 Ų | 34.6 | 56% | 0.559 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -55.8 | -49.4 | 174.9 | 22.9 | 0 | 0 | 0 | 0 | 112.5 | F1007 S1012 | F1007-S1009 VanDerWaalsContact C-N 3.28Å; F1007-S1009 PolarHBondContact O-N 3.34Å; S1009-S1012 PolarHBondContact O-OG 3.19Å |
| 1010 | E | 84.7 | Confident | 88.5 | Confident | 52 Ų | 52 | 35.4 Ų | 35.4 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.9 | -27 | -173.7 | -62.5 | 82.8 | 172 | 0 | 0 | 113.5 | R966 L977 F1007 S1008 | R966-E1010 IonicContact CZ-OE1 3.29Å; R966-E1010 VanDerWaalsContact CZ-OE1 3.22Å; R966-E1010 IonicContact NH1-OE1 3.95Å; R966-E1010 PolarHBondContact NH1-OE1 3.28Å; R966-E1010 IonicContact NH2-OE1 3.8Å; R966-E1010 PolarHBondContact NH2-OE1 3.38Å; R966-E1010 IonicContact NH2-OE2 2.78Å; R966-E1010 PolarHBondContact NH2-OE2 3.11Å; L977-E1010 HydrophobicContact CD2-CG 4.23Å; F1007-E1010 WeakPolarHBondContact CA-OE2 3.39Å; F1007-E1010 PolarHBondContact O-N 3.21Å; S1008-E1010 PolarHBondContact O-N 2.95Å |
| 1011 | L | 86.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -100.2 | -10.4 | -178 | -59.6 | 179.4 | 0 | 0 | 0 | 113.6 | L981 V1003 F1004 F1007 D1014 F1017 | L981-L1011 HydrophobicContact CD2-CD1 3.94Å; L981-L1011 HydrophobicContact CD2-CD2 4.2Å; L981-L1011 HydrophobicContact CD2-CG 4.23Å; V1003-L1011 HydrophobicContact CG1-CD1 4.12Å; F1004-L1011 HydrophobicContact CD2-CB 4.08Å; F1004-L1011 HydrophobicContact CD2-CD1 3.91Å; F1004-L1011 HydrophobicContact CE2-CB 3.67Å; F1004-L1011 HydrophobicContact CE2-CD1 4.29Å; F1004-L1011 HydrophobicContact CZ-CB 4.01Å; F1007-L1011 HydrophobicContact CB-CD1 4.07Å; F1007-L1011 HydrophobicContact CB-CG 4.23Å; F1007-L1011 WeakPolarHBondContact O-CB 3.48Å; F1007-L1011 WeakPolarHBondContact O-CG 3.44Å; F1007-L1011 PolarHBondContact O-N 3.22Å; L1011-D1014 WeakPolarHBondContact O-CB 3.38Å; L1011-D1014 PolarHBondContact O-N 2.9Å; L1011-F1017 HydrophobicContact CD1-CD1 4.23Å; L1011-F1017 HydrophobicContact CD1-CD2 4.48Å; L1011-F1017 HydrophobicContact CD1-CE1 3.81Å; L1011-F1017 HydrophobicContact CD1-CE2 4.08Å; L1011-F1017 HydrophobicContact CD1-CZ 3.73Å; L1011-F1017 HydrophobicContact CD2-CB 4.31Å; L1011-F1017 HydrophobicContact CD2-CD1 4.24Å; L1011-F1017 HydrophobicContact CD2-CD2 3.55Å; L1011-F1017 HydrophobicContact CD2-CE1 4.48Å; L1011-F1017 HydrophobicContact CD2-CE2 3.83Å; L1011-F1017 HydrophobicContact CD2-CG 3.78Å; L1011-F1017 HydrophobicContact CD2-CZ 4.29Å |
| 1012 | S | 79.1 | Confident | 88.8 | Confident | 27 Ų | 27 | 35 Ų | 35 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 134.3 | 178.8 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | S1008 S1009 D1014 N1047 | S1008-S1012 WeakPolarHBondContact O-CB 3.42Å; S1008-S1012 PolarHBondContact O-N 2.78Å; S1008-S1012 PolarHBondContact O-OG 2.92Å; S1009-S1012 PolarHBondContact O-OG 3.19Å; S1012-D1014 PolarHBondContact O-N 3.36Å; S1012-D1014 VanDerWaalsContact O-N 3.12Å; S1012-N1047 WeakPolarHBondContact CB-ND2 3.46Å; S1012-N1047 PolarHBondContact OG-ND2 3.17Å |
| 1013 | N | 81.1 | Confident | 89.1 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 8.1 | -171 | -75.2 | 8.3 | 0 | 0 | 0 | 116.4 | T1015 N1047 D1049 I1053 | N1013-T1015 PolarHBondContact O-N 2.89Å; N1013-N1047 WeakPolarHBondContact OD1-CB 3.41Å; N1013-D1049 PolarHBondContact ND2-O 3.4Å; N1013-D1049 PolarHBondContact OD1-O 3.44Å; N1013-I1053 WeakPolarHBondContact OD1-CD1 3.24Å |
| 1014 | D | 89 | Confident | 89.1 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | trans | -69.5 | 103.5 | 170.4 | -170.5 | -28.2 | 0 | 0 | 0 | 110.3 | R978 L1011 S1012 E1016 F1017 L1018 | R978-D1014 IonicContact CZ-OD2 2.8Å; R978-D1014 IonicContact NE-OD2 3.99Å; R978-D1014 PolarHBondContact NE-OD2 2.91Å; R978-D1014 IonicContact NH2-OD1 2.72Å; R978-D1014 PolarHBondContact NH2-OD1 3.31Å; R978-D1014 IonicContact NH2-OD2 2.68Å; R978-D1014 PolarHBondContact NH2-OD2 2.94Å; L1011-D1014 WeakPolarHBondContact O-CB 3.38Å; L1011-D1014 PolarHBondContact O-N 2.9Å; S1012-D1014 PolarHBondContact O-N 3.36Å; S1012-D1014 VanDerWaalsContact O-N 3.12Å; D1014-E1016 VanDerWaalsContact C-N 3.27Å; D1014-E1016 PolarHBondContact O-N 3.1Å; D1014-E1016 WeakPolarHBondContact OD1-CA 3.37Å; D1014-E1016 VanDerWaalsContact OD1-CB 3.31Å; D1014-E1016 WeakPolarHBondContact OD1-CB 3.45Å; D1014-E1016 PolarHBondContact OD1-N 3.5Å; D1014-F1017 HydrophobicContact CB-CB 3.97Å; D1014-F1017 PolarHBondContact OD1-N 2.96Å; D1014-L1018 WeakPolarHBondContact O-CB 3.37Å; D1014-L1018 WeakPolarHBondContact O-CD1 3.31Å; D1014-L1018 VanDerWaalsContact O-CG 3.3Å; D1014-L1018 WeakPolarHBondContact O-CG 3.41Å; D1014-L1018 PolarHBondContact O-N 2.86Å | ||
| 1015 | T | 91.7 | Very high | 89.3 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.2 | -23.2 | -179.4 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | N1013 R1019 I1053 A1056 W1060 | N1013-T1015 PolarHBondContact O-N 2.89Å; T1015-R1019 VanDerWaalsContact O-CB 3.25Å; T1015-R1019 WeakPolarHBondContact O-CB 3.27Å; T1015-R1019 PolarHBondContact O-N 2.83Å; T1015-R1019 VanDerWaalsContact O-N 3.13Å; T1015-I1053 HydrophobicContact CG2-CG1 4.33Å; T1015-A1056 HydrophobicContact CG2-CB 3.9Å; T1015-W1060 VanDerWaalsContact O-CZ2 3.32Å; T1015-W1060 WeakPolarHBondContact O-CZ2 3.06Å |
| 1016 | E | 92.7 | Very high | 89.4 | Confident | 96 Ų | 96 | 33.1 Ų | 33.1 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -79.7 | -45.3 | 178.2 | -159.2 | -176.6 | -162.5 | 0 | 0 | 110.5 | R978 F982 D1014 R1019 L1020 | R978-E1016 IonicContact CZ-OE2 3.65Å; R978-E1016 IonicContact NH1-OE2 3.29Å; R978-E1016 PolarHBondContact NH1-OE2 3.4Å; R978-E1016 IonicContact NH2-OE2 2.86Å; R978-E1016 PolarHBondContact NH2-OE2 3.15Å; F982-E1016 HydrophobicContact CE2-CB 4.04Å; F982-E1016 HydrophobicContact CE2-CG 3.61Å; F982-E1016 HydrophobicContact CZ-CG 3.7Å; D1014-E1016 VanDerWaalsContact C-N 3.27Å; D1014-E1016 PolarHBondContact O-N 3.1Å; D1014-E1016 WeakPolarHBondContact OD1-CA 3.37Å; D1014-E1016 VanDerWaalsContact OD1-CB 3.31Å; D1014-E1016 WeakPolarHBondContact OD1-CB 3.45Å; D1014-E1016 PolarHBondContact OD1-N 3.5Å; E1016-R1019 WeakPolarHBondContact O-CB 3.48Å; E1016-R1019 PolarHBondContact O-N 3.05Å; E1016-L1020 PolarHBondContact O-N 3.48Å |
| 1017 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 176.3 | -163.3 | -82.1 | 0 | 0 | 0 | 111.5 | F982 M985 L1000 V1003 F1004 L1011 D1014 R1019 L1020 I1021 | F982-F1017 HydrophobicContact CB-CD2 4.49Å; F982-F1017 HydrophobicContact CD2-CB 4.21Å; F982-F1017 AromaticContact CD2-CD2 3.89Å; F982-F1017 HydrophobicContact CD2-CD2 3.89Å; M985-F1017 HydrophobicContact CB-CE2 3.9Å; M985-F1017 HydrophobicContact CB-CZ 4.19Å; M985-F1017 HydrophobicContact CE-CZ 4.18Å; M985-F1017 HydrophobicContact CG-CE2 4.03Å; M985-F1017 HydrophobicContact CG-CZ 4.06Å; L1000-F1017 HydrophobicContact CD1-CE1 3.8Å; L1000-F1017 HydrophobicContact CD1-CZ 4.31Å; V1003-F1017 HydrophobicContact CG1-CZ 4.43Å; F1004-F1017 HydrophobicContact CD2-CD1 4.23Å; F1004-F1017 AromaticContact CD2-CE1 3.94Å; F1004-F1017 HydrophobicContact CD2-CE1 3.94Å; F1004-F1017 HydrophobicContact CE2-CD1 4.02Å; F1004-F1017 HydrophobicContact CE2-CE1 4.22Å; L1011-F1017 HydrophobicContact CD1-CD1 4.23Å; L1011-F1017 HydrophobicContact CD1-CD2 4.48Å; L1011-F1017 HydrophobicContact CD1-CE1 3.81Å; L1011-F1017 HydrophobicContact CD1-CE2 4.08Å; L1011-F1017 HydrophobicContact CD1-CZ 3.73Å; L1011-F1017 HydrophobicContact CD2-CB 4.31Å; L1011-F1017 HydrophobicContact CD2-CD1 4.24Å; L1011-F1017 HydrophobicContact CD2-CD2 3.55Å; L1011-F1017 HydrophobicContact CD2-CE1 4.48Å; L1011-F1017 HydrophobicContact CD2-CE2 3.83Å; L1011-F1017 HydrophobicContact CD2-CG 3.78Å; L1011-F1017 HydrophobicContact CD2-CZ 4.29Å; D1014-F1017 HydrophobicContact CB-CB 3.97Å; D1014-F1017 PolarHBondContact OD1-N 2.96Å; F1017-R1019 VanDerWaalsContact C-N 3.3Å; F1017-R1019 PolarHBondContact O-N 3.4Å; F1017-L1020 WeakPolarHBondContact O-CB 3.28Å; F1017-L1020 PolarHBondContact O-N 3.45Å; F1017-I1021 HydrophobicContact CD1-CD1 3.82Å; F1017-I1021 HydrophobicContact CD1-CG1 4.18Å; F1017-I1021 HydrophobicContact CE1-CD1 3.87Å; F1017-I1021 HydrophobicContact CE1-CG1 4.12Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.45Å; F1017-I1021 PolarHBondContact O-N 3.32Å |
| 1018 | L | 93.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 172 | -74.1 | 167.2 | 0 | 0 | 0 | 112 | D1014 I1021 V1022 L1044 F1045 I1053 W1060 | D1014-L1018 WeakPolarHBondContact O-CB 3.37Å; D1014-L1018 WeakPolarHBondContact O-CD1 3.31Å; D1014-L1018 VanDerWaalsContact O-CG 3.3Å; D1014-L1018 WeakPolarHBondContact O-CG 3.41Å; D1014-L1018 PolarHBondContact O-N 2.86Å; L1018-I1021 HydrophobicContact CD2-CD1 4.33Å; L1018-I1021 PolarHBondContact O-N 2.8Å; L1018-V1022 PolarHBondContact O-N 2.98Å; L1018-L1044 HydrophobicContact CD2-CB 4.21Å; L1018-L1044 HydrophobicContact CD2-CD2 4.25Å; L1018-F1045 HydrophobicContact CD1-CE1 4.05Å; L1018-F1045 HydrophobicContact CD2-CE1 4.1Å; L1018-I1053 HydrophobicContact CD1-CB 4.49Å; L1018-I1053 HydrophobicContact CD1-CD1 3.58Å; L1018-I1053 HydrophobicContact CD1-CG1 3.86Å; L1018-I1053 HydrophobicContact CD1-CG2 3.75Å; L1018-W1060 HydrophobicContact CB-CH2 4Å |
| 1019 | R | 94.6 | Very high | 89.9 | Confident | 109 Ų | 109 | 34.4 Ų | 34.4 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 173 | -169.1 | -179.1 | -174.2 | -179.4 | 6.2 | 112.2 | T1015 E1016 F1017 I1021 V1022 A1023 W1060 E1064 | T1015-R1019 VanDerWaalsContact O-CB 3.25Å; T1015-R1019 WeakPolarHBondContact O-CB 3.27Å; T1015-R1019 PolarHBondContact O-N 2.83Å; T1015-R1019 VanDerWaalsContact O-N 3.13Å; E1016-R1019 WeakPolarHBondContact O-CB 3.48Å; E1016-R1019 PolarHBondContact O-N 3.05Å; F1017-R1019 VanDerWaalsContact C-N 3.3Å; F1017-R1019 PolarHBondContact O-N 3.4Å; R1019-I1021 VanDerWaalsContact C-N 3.27Å; R1019-I1021 PolarHBondContact O-N 2.74Å; R1019-V1022 WeakPolarHBondContact O-CG2 3.27Å; R1019-V1022 PolarHBondContact O-N 2.72Å; R1019-A1023 WeakPolarHBondContact O-CB 3.17Å; R1019-A1023 PolarHBondContact O-N 2.69Å; R1019-W1060 HydrophobicContact CB-CD2 4.42Å; R1019-W1060 HydrophobicContact CB-CH2 4.37Å; R1019-W1060 HydrophobicContact CB-CZ2 3.89Å; R1019-W1060 HydrophobicContact CG-CD2 4.19Å; R1019-W1060 HydrophobicContact CG-CG 4.41Å; R1019-E1064 IonicContact CZ-OE2 3.55Å; R1019-E1064 IonicContact NE-OE1 2.72Å; R1019-E1064 IonicContact NE-OE2 3.49Å; R1019-E1064 PolarHBondContact NE-OE2 2.75Å; R1019-E1064 IonicContact NH2-OE2 3.55Å; R1019-E1064 PolarHBondContact NH2-OE2 2.81Å |
| 1020 | L | 94.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 174.8 | 177.8 | 64.4 | 0 | 0 | 0 | 110.9 | F982 M985 Q986 F996 E1016 F1017 T1024 | F982-L1020 HydrophobicContact CD2-CD2 4.33Å; F982-L1020 HydrophobicContact CE2-CB 4.21Å; F982-L1020 HydrophobicContact CE2-CD2 4.02Å; F982-L1020 HydrophobicContact CZ-CD2 4.29Å; M985-L1020 HydrophobicContact CB-CD2 4.49Å; Q986-L1020 HydrophobicContact CB-CD1 4.35Å; Q986-L1020 HydrophobicContact CB-CD2 4.13Å; Q986-L1020 HydrophobicContact CG-CD1 4.18Å; F996-L1020 HydrophobicContact CE2-CD2 4.2Å; F996-L1020 HydrophobicContact CE2-CG 4.21Å; F996-L1020 HydrophobicContact CZ-CG 4.24Å; E1016-L1020 PolarHBondContact O-N 3.48Å; F1017-L1020 WeakPolarHBondContact O-CB 3.28Å; F1017-L1020 PolarHBondContact O-N 3.45Å; L1020-T1024 WeakPolarHBondContact O-CB 3.33Å; L1020-T1024 PolarHBondContact O-N 3.19Å; L1020-T1024 PolarHBondContact O-OG1 3.09Å |
| 1021 | I | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -55.4 | 174.5 | -63.7 | 164.2 | 0 | 0 | 0 | 111 | F996 L1000 F1004 F1017 L1018 R1019 A1023 T1024 I1025 L1033 L1044 | F996-I1021 HydrophobicContact CE1-CG1 4.27Å; F996-I1021 HydrophobicContact CZ-CG1 4.01Å; L1000-I1021 HydrophobicContact CD1-CD1 3.77Å; L1000-I1021 HydrophobicContact CD1-CG1 3.91Å; L1000-I1021 HydrophobicContact CD2-CB 4.4Å; L1000-I1021 HydrophobicContact CD2-CD1 3.96Å; L1000-I1021 HydrophobicContact CD2-CG1 3.79Å; L1000-I1021 HydrophobicContact CD2-CG2 3.74Å; L1000-I1021 HydrophobicContact CG-CD1 4.44Å; F1004-I1021 HydrophobicContact CD2-CD1 4.4Å; F1004-I1021 HydrophobicContact CE2-CD1 4.38Å; F1017-I1021 HydrophobicContact CD1-CD1 3.82Å; F1017-I1021 HydrophobicContact CD1-CG1 4.18Å; F1017-I1021 HydrophobicContact CE1-CD1 3.87Å; F1017-I1021 HydrophobicContact CE1-CG1 4.12Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.45Å; F1017-I1021 PolarHBondContact O-N 3.32Å; L1018-I1021 HydrophobicContact CD2-CD1 4.33Å; L1018-I1021 PolarHBondContact O-N 2.8Å; R1019-I1021 VanDerWaalsContact C-N 3.27Å; R1019-I1021 PolarHBondContact O-N 2.74Å; I1021-A1023 VanDerWaalsContact C-N 3.34Å; I1021-A1023 PolarHBondContact O-N 3.18Å; I1021-T1024 PolarHBondContact O-N 3.36Å; I1021-T1024 VanDerWaalsContact O-N 3.11Å; I1021-I1025 HydrophobicContact CG2-CD1 4.37Å; I1021-I1025 HydrophobicContact CG2-CG2 4.42Å; I1021-I1025 WeakPolarHBondContact O-CG1 3.27Å; I1021-I1025 PolarHBondContact O-N 2.86Å; I1021-L1033 HydrophobicContact CG2-CD1 4.03Å; I1021-L1044 HydrophobicContact CD1-CD2 3.76Å |
| 1022 | V | 94.9 | Very high | 91 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.6 | -24.5 | -174.1 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | L1018 R1019 W1060 E1064 F1067 F1068 L1071 | L1018-V1022 PolarHBondContact O-N 2.98Å; R1019-V1022 WeakPolarHBondContact O-CG2 3.27Å; R1019-V1022 PolarHBondContact O-N 2.72Å; V1022-W1060 HydrophobicContact CG2-CE3 3.77Å; V1022-W1060 HydrophobicContact CG2-CZ3 3.78Å; V1022-E1064 HydrophobicContact CB-CB 4.49Å; V1022-E1064 HydrophobicContact CG2-CB 3.77Å; V1022-E1064 HydrophobicContact CG2-CG 4.05Å; V1022-F1067 HydrophobicContact CB-CB 4.21Å; V1022-F1067 HydrophobicContact CG1-CB 4.11Å; V1022-F1068 HydrophobicContact CG1-CB 4.21Å; V1022-L1071 HydrophobicContact CG1-CD1 3.9Å |
| 1023 | A | 92.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74.9 | -29.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R993 R1019 I1021 E1064 | R993-A1023 PolarHBondContact NH2-O 2.85Å; R1019-A1023 WeakPolarHBondContact O-CB 3.17Å; R1019-A1023 PolarHBondContact O-N 2.69Å; I1021-A1023 VanDerWaalsContact C-N 3.34Å; I1021-A1023 PolarHBondContact O-N 3.18Å; A1023-E1064 HydrophobicContact CB-CG 4.45Å |
| 1024 | T | 91.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -85.5 | -33.2 | -176.3 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | S989 R993 F996 L1020 I1021 | S989-T1024 WeakPolarHBondContact CB-OG1 3.37Å; R993-T1024 HydrophobicContact CB-CG2 4.1Å; R993-T1024 HydrophobicContact CG-CG2 4.1Å; R993-T1024 PolarHBondContact NE-O 3.32Å; R993-T1024 PolarHBondContact NH2-O 2.9Å; F996-T1024 HydrophobicContact CB-CG2 4.3Å; F996-T1024 HydrophobicContact CD1-CG2 3.43Å; F996-T1024 VanDerWaalsContact CD1-CG2 3.43Å; F996-T1024 HydrophobicContact CD2-CG2 4.36Å; F996-T1024 HydrophobicContact CE1-CG2 3.73Å; F996-T1024 HydrophobicContact CG-CG2 3.79Å; F996-T1024 HydrophobicContact CZ-CG2 4.3Å; L1020-T1024 WeakPolarHBondContact O-CB 3.33Å; L1020-T1024 PolarHBondContact O-N 3.19Å; L1020-T1024 PolarHBondContact O-OG1 3.09Å; I1021-T1024 PolarHBondContact O-N 3.36Å; I1021-T1024 VanDerWaalsContact O-N 3.11Å |
| 1025 | I | 92 | Very high | 92.4 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -73.6 | 158 | -176.9 | 61.2 | -169.4 | 0 | 0 | 0 | 114.1 | I1021 M1029 C1030 L1033 F1067 L1071 | I1021-I1025 HydrophobicContact CG2-CD1 4.37Å; I1021-I1025 HydrophobicContact CG2-CG2 4.42Å; I1021-I1025 WeakPolarHBondContact O-CG1 3.27Å; I1021-I1025 PolarHBondContact O-N 2.86Å; I1025-M1029 HydrophobicContact CB-CB 4.1Å; I1025-M1029 HydrophobicContact CG2-CB 4.11Å; I1025-C1030 HydrophobicContact CD1-CB 4.01Å; I1025-C1030 HydrophobicContact CG1-CB 4.45Å; I1025-L1033 HydrophobicContact CD1-CD1 4.34Å; I1025-L1033 HydrophobicContact CG2-CD1 3.79Å; I1025-F1067 HydrophobicContact CD1-CB 4.08Å; I1025-F1067 HydrophobicContact CD1-CD2 4.31Å; I1025-F1067 HydrophobicContact CD1-CG 4.27Å; I1025-F1067 HydrophobicContact CG1-CB 4.45Å; I1025-F1067 HydrophobicContact CG1-CD2 3.77Å; I1025-F1067 HydrophobicContact CG1-CE2 4.21Å; I1025-F1067 HydrophobicContact CG1-CG 4.21Å; I1025-L1071 HydrophobicContact CD1-CD1 4Å | ||
| 1026 | D | 89.6 | Confident | 92.4 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | trans | -114.5 | 168.7 | 165.8 | 74 | 44.8 | 0 | 0 | 0 | 109 | R309 G1028 M1029 C1030 | R309-D1026 VanDerWaalsContact CD-OD2 3.26Å; R309-D1026 WeakPolarHBondContact CD-OD2 3.42Å; R309-D1026 IonicContact CZ-OD1 3.23Å; R309-D1026 IonicContact CZ-OD2 2.88Å; R309-D1026 IonicContact NE-OD1 3.91Å; R309-D1026 IonicContact NE-OD2 3.36Å; R309-D1026 IonicContact NH1-OD1 2.67Å; R309-D1026 IonicContact NH1-OD2 3.51Å; R309-D1026 PolarHBondContact NH1-OD2 3.41Å; D1026-G1028 PolarHBondContact O-N 2.96Å; D1026-G1028 VanDerWaalsContact O-N 3.07Å; D1026-G1028 VanDerWaalsContact OD1-CA 3.31Å; D1026-G1028 WeakPolarHBondContact OD1-CA 3.45Å; D1026-G1028 PolarHBondContact OD1-N 3.31Å; D1026-M1029 HydrophobicContact CB-CE 4.23Å; D1026-M1029 CarbonylContact O-C 3.54Å; D1026-M1029 PolarHBondContact O-N 3.06Å; D1026-M1029 PolarHBondContact OD1-N 3.36Å; D1026-M1029 WeakPolarHBondContact OD2-CE 3.42Å; D1026-C1030 WeakPolarHBondContact O-CB 3.37Å; D1026-C1030 PolarHBondContact O-N 3.13Å | ||
| 1027 | P | 89.4 | Confident | 92.4 | Very high | 94 Ų | 94 | 30.9 Ų | 30.9 | 61% | 0.61 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58.1 | -26.6 | -176.2 | -26.2 | 35.1 | 0 | 0 | 0 | 114.9 | N1031 F1067 | P1027-N1031 WeakPolarHBondContact O-CB 3.47Å; P1027-N1031 PolarHBondContact O-N 3.12Å; P1027-N1031 VanDerWaalsContact O-N 3.14Å; P1027-F1067 HydrophobicContact CB-CE1 4.44Å; P1027-F1067 HydrophobicContact CG-CE1 4.11Å; P1027-F1067 HydrophobicContact CG-CZ 3.9Å |
| 1028 | G | 88.4 | Confident | 92.4 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -75.3 | -39.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1026 N1031 S1032 | D1026-G1028 PolarHBondContact O-N 2.96Å; D1026-G1028 VanDerWaalsContact O-N 3.07Å; D1026-G1028 VanDerWaalsContact OD1-CA 3.31Å; D1026-G1028 WeakPolarHBondContact OD1-CA 3.45Å; D1026-G1028 PolarHBondContact OD1-N 3.31Å; G1028-N1031 PolarHBondContact O-N 2.9Å; G1028-S1032 PolarHBondContact O-N 3.28Å; G1028-S1032 PolarHBondContact O-OG 3.04Å |
| 1029 | M | 91.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.6 | -37.3 | 175.3 | -57.8 | -167.6 | -64.8 | 0 | 0 | 111.9 | R309 R993 R994 A997 I1025 D1026 N1031 S1032 L1033 | R309-M1029 PolarHBondContact NH1-SD 2.95Å; R993-M1029 HydrophobicContact CB-CE 3.86Å; R993-M1029 VanDerWaalsContact O-SD 3.39Å; R994-M1029 HydrophobicContact CB-SD 4.37Å; A997-M1029 HydrophobicContact CB-CB 4.06Å; A997-M1029 HydrophobicContact CB-CG 4.23Å; A997-M1029 HydrophobicContact CB-SD 3.8Å; I1025-M1029 HydrophobicContact CB-CB 4.1Å; I1025-M1029 HydrophobicContact CG2-CB 4.11Å; D1026-M1029 HydrophobicContact CB-CE 4.23Å; D1026-M1029 CarbonylContact O-C 3.54Å; D1026-M1029 PolarHBondContact O-N 3.06Å; D1026-M1029 PolarHBondContact OD1-N 3.36Å; D1026-M1029 WeakPolarHBondContact OD2-CE 3.42Å; M1029-N1031 PolarHBondContact O-N 3.01Å; M1029-S1032 WeakPolarHBondContact O-CB 3.22Å; M1029-S1032 PolarHBondContact O-N 2.88Å; M1029-S1032 VanDerWaalsContact O-N 3.12Å; M1029-L1033 WeakPolarHBondContact O-CG 3.33Å; M1029-L1033 PolarHBondContact O-N 3.18Å |
| 1030 | C | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 169.4 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | I1025 D1026 S1032 L1033 I1034 F1067 Q1070 | I1025-C1030 HydrophobicContact CD1-CB 4.01Å; I1025-C1030 HydrophobicContact CG1-CB 4.45Å; D1026-C1030 WeakPolarHBondContact O-CB 3.37Å; D1026-C1030 PolarHBondContact O-N 3.13Å; C1030-S1032 VanDerWaalsContact C-N 3.29Å; C1030-S1032 PolarHBondContact O-N 2.82Å; C1030-L1033 PolarHBondContact O-N 3.43Å; C1030-I1034 WeakPolarHBondContact O-CB 3.38Å; C1030-I1034 VanDerWaalsContact O-CG1 3.25Å; C1030-I1034 WeakPolarHBondContact O-CG1 3.18Å; C1030-I1034 PolarHBondContact O-N 3.24Å; C1030-F1067 HydrophobicContact CB-CD1 4.04Å; C1030-F1067 HydrophobicContact CB-CE1 4.23Å; C1030-Q1070 PolarHBondContact SG-OE1 2.91Å |
| 1031 | N | 92.6 | Very high | 91.7 | Very high | 101 Ų | 101 | 44.3 Ų | 44.3 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 174.6 | -174.3 | 100.8 | 0 | 0 | 0 | 113 | P1027 G1028 M1029 S1035 | P1027-N1031 WeakPolarHBondContact O-CB 3.47Å; P1027-N1031 PolarHBondContact O-N 3.12Å; P1027-N1031 VanDerWaalsContact O-N 3.14Å; G1028-N1031 PolarHBondContact O-N 2.9Å; M1029-N1031 PolarHBondContact O-N 3.01Å; N1031-S1035 WeakPolarHBondContact O-CB 3.49Å; N1031-S1035 PolarHBondContact O-N 3.21Å; N1031-S1035 PolarHBondContact O-OG 3.45Å |
| 1032 | S | 91.2 | Very high | 91.5 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 172.3 | -68 | 0 | 0 | 0 | 0 | 112 | G1028 M1029 C1030 I1034 S1035 E1036 | G1028-S1032 PolarHBondContact O-N 3.28Å; G1028-S1032 PolarHBondContact O-OG 3.04Å; M1029-S1032 WeakPolarHBondContact O-CB 3.22Å; M1029-S1032 PolarHBondContact O-N 2.88Å; M1029-S1032 VanDerWaalsContact O-N 3.12Å; C1030-S1032 VanDerWaalsContact C-N 3.29Å; C1030-S1032 PolarHBondContact O-N 2.82Å; S1032-I1034 PolarHBondContact O-N 2.66Å; S1032-S1035 WeakPolarHBondContact O-CA 3.35Å; S1032-S1035 VanDerWaalsContact O-CB 3.26Å; S1032-S1035 WeakPolarHBondContact O-CB 3.33Å; S1032-S1035 PolarHBondContact O-N 3.39Å; S1032-E1036 PolarHBondContact O-N 2.94Å |
| 1033 | L | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 177.8 | -63.5 | -177.1 | 0 | 0 | 0 | 112 | L1000 I1021 I1025 M1029 C1030 S1035 E1036 I1037 L1042 L1071 | L1000-L1033 HydrophobicContact CD2-CD1 3.65Å; L1000-L1033 HydrophobicContact CD2-CD2 3.97Å; L1000-L1033 HydrophobicContact CD2-CG 4.49Å; I1021-L1033 HydrophobicContact CG2-CD1 4.03Å; I1025-L1033 HydrophobicContact CD1-CD1 4.34Å; I1025-L1033 HydrophobicContact CG2-CD1 3.79Å; M1029-L1033 WeakPolarHBondContact O-CG 3.33Å; M1029-L1033 PolarHBondContact O-N 3.18Å; C1030-L1033 PolarHBondContact O-N 3.43Å; L1033-S1035 PolarHBondContact O-N 3.37Å; L1033-E1036 PolarHBondContact O-N 3.34Å; L1033-E1036 VanDerWaalsContact O-N 3.12Å; L1033-I1037 WeakPolarHBondContact O-CD1 3.12Å; L1033-I1037 VanDerWaalsContact O-CG1 3.25Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; L1033-I1037 PolarHBondContact O-N 2.91Å; L1033-L1042 HydrophobicContact CB-CD2 4.27Å; L1033-L1042 HydrophobicContact CD2-CD2 3.88Å; L1033-L1071 HydrophobicContact CB-CD2 3.9Å |
| 1034 | I | 94.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -37 | 171 | -69 | 166.3 | 0 | 0 | 0 | 111 | C1030 S1032 V1038 Q1070 L1071 A1074 | C1030-I1034 WeakPolarHBondContact O-CB 3.38Å; C1030-I1034 VanDerWaalsContact O-CG1 3.25Å; C1030-I1034 WeakPolarHBondContact O-CG1 3.18Å; C1030-I1034 PolarHBondContact O-N 3.24Å; S1032-I1034 PolarHBondContact O-N 2.66Å; I1034-V1038 HydrophobicContact CG2-CG2 4.41Å; I1034-V1038 WeakPolarHBondContact O-CB 3.38Å; I1034-V1038 VanDerWaalsContact O-CG2 3.26Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; I1034-V1038 PolarHBondContact O-N 3.15Å; I1034-Q1070 HydrophobicContact CD1-CB 4.05Å; I1034-L1071 HydrophobicContact CG1-CD2 4.05Å; I1034-A1074 HydrophobicContact CB-CB 4.42Å; I1034-A1074 HydrophobicContact CG1-CB 4.19Å; I1034-A1074 HydrophobicContact CG2-CB 3.97Å |
| 1035 | S | 91.3 | Very high | 91 | Very high | 35 Ų | 35 | 46 Ų | 46 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | N1031 S1032 L1033 R1039 | N1031-S1035 WeakPolarHBondContact O-CB 3.49Å; N1031-S1035 PolarHBondContact O-N 3.21Å; N1031-S1035 PolarHBondContact O-OG 3.45Å; S1032-S1035 WeakPolarHBondContact O-CA 3.35Å; S1032-S1035 VanDerWaalsContact O-CB 3.26Å; S1032-S1035 WeakPolarHBondContact O-CB 3.33Å; S1032-S1035 PolarHBondContact O-N 3.39Å; L1033-S1035 PolarHBondContact O-N 3.37Å; S1035-R1039 WeakPolarHBondContact O-CB 3.23Å; S1035-R1039 WeakPolarHBondContact O-CD 3.23Å; S1035-R1039 WeakPolarHBondContact O-CG 3.14Å; S1035-R1039 PolarHBondContact O-N 3.45Å; S1035-R1039 VanDerWaalsContact O-N 3.17Å |
| 1036 | E | 92 | Very high | 90.5 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.5 | -39.3 | 174.6 | -59.8 | -33.3 | 127.7 | 0 | 0 | 112.4 | P1001 S1032 L1033 R1039 G1040 H1041 L1042 | P1001-E1036 HydrophobicContact CG-CG 4.24Å; S1032-E1036 PolarHBondContact O-N 2.94Å; L1033-E1036 PolarHBondContact O-N 3.34Å; L1033-E1036 VanDerWaalsContact O-N 3.12Å; E1036-R1039 VanDerWaalsContact CD-NH1 3.34Å; E1036-R1039 WeakPolarHBondContact O-CB 3.35Å; E1036-R1039 PolarHBondContact O-N 3.08Å; E1036-R1039 VanDerWaalsContact O-N 3.17Å; E1036-R1039 IonicContact OE1-CZ 3.74Å; E1036-R1039 IonicContact OE1-NH1 3.63Å; E1036-R1039 PolarHBondContact OE1-NH1 3.47Å; E1036-R1039 IonicContact OE2-NH1 2.83Å; E1036-R1039 PolarHBondContact OE2-NH1 2.95Å; E1036-G1040 PolarHBondContact O-N 3.15Å; E1036-G1040 VanDerWaalsContact O-N 3.08Å; E1036-H1041 HydrophobicContact CB-CB 4.13Å; E1036-H1041 PolarHBondContact O-N 3.21Å; E1036-H1041 IonicContact OE2-CE1 2.76Å; E1036-H1041 IonicContact OE2-CG 3.22Å; E1036-H1041 IonicContact OE2-ND1 3.55Å; E1036-H1041 PolarHBondContact OE2-ND1 3.27Å; E1036-L1042 HydrophobicContact CB-CB 4.11Å |
| 1037 | I | 93.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 173.4 | -68.2 | 157.8 | 0 | 0 | 0 | 110.6 | L1033 R1039 G1040 L1042 L1044 L1071 A1074 | L1033-I1037 WeakPolarHBondContact O-CD1 3.12Å; L1033-I1037 VanDerWaalsContact O-CG1 3.25Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; L1033-I1037 PolarHBondContact O-N 2.91Å; I1037-R1039 PolarHBondContact O-N 2.8Å; I1037-G1040 PolarHBondContact O-N 3.31Å; I1037-L1042 WeakPolarHBondContact CA-O 3.49Å; I1037-L1042 HydrophobicContact CD1-CD2 4.49Å; I1037-L1042 HydrophobicContact CG1-CB 4.1Å; I1037-L1042 HydrophobicContact CG1-CD2 4.13Å; I1037-L1042 HydrophobicContact CG1-CG 3.92Å; I1037-L1042 WeakPolarHBondContact CG1-O 3.46Å; I1037-L1044 HydrophobicContact CD1-CD1 4.16Å; I1037-L1071 HydrophobicContact CD1-CB 4.46Å; I1037-L1071 HydrophobicContact CD1-CD2 3.61Å; I1037-A1074 HydrophobicContact CB-CB 4.35Å; I1037-A1074 HydrophobicContact CD1-CB 4.46Å; I1037-A1074 HydrophobicContact CG2-CB 3.83Å; I1037-A1074 WeakPolarHBondContact CG2-O 3.4Å |
| 1038 | V | 92.1 | Very high | 89 | Confident | 102 Ų | 102 | 50.4 Ų | 50.4 | 62% | 0.618 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69.5 | -14.5 | 179.7 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | I1034 A1074 | I1034-V1038 HydrophobicContact CG2-CG2 4.41Å; I1034-V1038 WeakPolarHBondContact O-CB 3.38Å; I1034-V1038 VanDerWaalsContact O-CG2 3.26Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; I1034-V1038 PolarHBondContact O-N 3.15Å; V1038-A1074 HydrophobicContact CG2-CB 4.37Å |
| 1039 | R | 90.3 | Very high | 88.8 | Confident | 150 Ų | 150 | 52.6 Ų | 52.6 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -87.4 | -15.6 | 168.9 | -73.8 | 164.1 | -172.7 | 155.4 | 4.6 | 113.8 | S1035 E1036 I1037 | S1035-R1039 WeakPolarHBondContact O-CB 3.23Å; S1035-R1039 WeakPolarHBondContact O-CD 3.23Å; S1035-R1039 WeakPolarHBondContact O-CG 3.14Å; S1035-R1039 PolarHBondContact O-N 3.45Å; S1035-R1039 VanDerWaalsContact O-N 3.17Å; E1036-R1039 VanDerWaalsContact CD-NH1 3.34Å; E1036-R1039 WeakPolarHBondContact O-CB 3.35Å; E1036-R1039 PolarHBondContact O-N 3.08Å; E1036-R1039 VanDerWaalsContact O-N 3.17Å; E1036-R1039 IonicContact OE1-CZ 3.74Å; E1036-R1039 IonicContact OE1-NH1 3.63Å; E1036-R1039 PolarHBondContact OE1-NH1 3.47Å; E1036-R1039 IonicContact OE2-NH1 2.83Å; E1036-R1039 PolarHBondContact OE2-NH1 2.95Å; I1037-R1039 PolarHBondContact O-N 2.8Å |
| 1040 | G | 88.3 | Confident | 88.6 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 4.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1036 I1037 L1042 | E1036-G1040 PolarHBondContact O-N 3.15Å; E1036-G1040 VanDerWaalsContact O-N 3.08Å; I1037-G1040 PolarHBondContact O-N 3.31Å; G1040-L1042 VanDerWaalsContact C-N 3.28Å; G1040-L1042 PolarHBondContact O-N 2.89Å |
| 1041 | H | 88 | Confident | 88.3 | Confident | 108 Ų | 108 | 54.2 Ų | 54.2 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -80.5 | -5.5 | 179.8 | -55.4 | 162.5 | 0 | 0 | 0 | 113.9 | E1036 | E1036-H1041 HydrophobicContact CB-CB 4.13Å; E1036-H1041 PolarHBondContact O-N 3.21Å; E1036-H1041 IonicContact OE2-CE1 2.76Å; E1036-H1041 IonicContact OE2-CG 3.22Å; E1036-H1041 IonicContact OE2-ND1 3.55Å; E1036-H1041 PolarHBondContact OE2-ND1 3.27Å |
| 1042 | L | 90.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | trans | -150.5 | 118.8 | 179.3 | 172 | 54.2 | 0 | 0 | 0 | 109.6 | P1001 F1004 L1033 E1036 I1037 G1040 L1044 | P1001-L1042 HydrophobicContact CB-CB 4.39Å; F1004-L1042 HydrophobicContact CB-CD1 3.75Å; F1004-L1042 HydrophobicContact CD1-CD1 4.29Å; F1004-L1042 HydrophobicContact CG-CD1 4.15Å; L1033-L1042 HydrophobicContact CB-CD2 4.27Å; L1033-L1042 HydrophobicContact CD2-CD2 3.88Å; E1036-L1042 HydrophobicContact CB-CB 4.11Å; I1037-L1042 WeakPolarHBondContact CA-O 3.49Å; I1037-L1042 HydrophobicContact CD1-CD2 4.49Å; I1037-L1042 HydrophobicContact CG1-CB 4.1Å; I1037-L1042 HydrophobicContact CG1-CD2 4.13Å; I1037-L1042 HydrophobicContact CG1-CG 3.92Å; I1037-L1042 WeakPolarHBondContact CG1-O 3.46Å; G1040-L1042 VanDerWaalsContact C-N 3.28Å; G1040-L1042 PolarHBondContact O-N 2.89Å; L1042-L1044 HydrophobicContact CD1-CD2 3.76Å; L1042-L1044 HydrophobicContact CD1-CG 3.98Å; L1042-L1044 HydrophobicContact CD2-CD2 4.4Å; L1042-L1044 HydrophobicContact CD2-CG 4.28Å; L1042-L1044 HydrophobicContact CG-CD2 4.32Å; L1042-L1044 HydrophobicContact CG-CG 4.07Å | ||
| 1043 | N | 90.4 | Very high | 88.1 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | trans | -116 | 103.5 | 168.8 | -175.2 | 1.4 | 0 | 0 | 0 | 109.1 | F1004 F1045 H1075 | F1004-N1043 VanDerWaalsContact CD1-O 3.25Å; F1004-N1043 WeakPolarHBondContact CD1-O 3.43Å; F1004-N1043 VanDerWaalsContact CE1-O 3.28Å; F1004-N1043 WeakPolarHBondContact CE1-O 3.5Å; N1043-F1045 VanDerWaalsContact C-N 3.27Å; N1043-F1045 PolarHBondContact OD1-N 3.28Å; N1043-F1045 PolarHBondContact OD1-O 3.15Å; N1043-H1075 PolarHBondContact OD1-CD2 2.84Å | ||
| 1044 | L | 89.5 | Confident | 88 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -77.5 | -15.6 | 177.2 | -68.8 | 173.4 | 0 | 0 | 0 | 112.7 | F1004 L1018 I1021 I1037 L1042 P1046 L1071 H1075 | F1004-L1044 HydrophobicContact CD1-CD2 4.19Å; F1004-L1044 HydrophobicContact CD2-CD2 3.88Å; F1004-L1044 HydrophobicContact CE1-CD2 4.26Å; F1004-L1044 HydrophobicContact CE2-CD2 3.93Å; F1004-L1044 HydrophobicContact CG-CD2 4.01Å; F1004-L1044 HydrophobicContact CZ-CD2 4.12Å; L1018-L1044 HydrophobicContact CD2-CB 4.21Å; L1018-L1044 HydrophobicContact CD2-CD2 4.25Å; I1021-L1044 HydrophobicContact CD1-CD2 3.76Å; I1037-L1044 HydrophobicContact CD1-CD1 4.16Å; L1042-L1044 HydrophobicContact CD1-CD2 3.76Å; L1042-L1044 HydrophobicContact CD1-CG 3.98Å; L1042-L1044 HydrophobicContact CD2-CD2 4.4Å; L1042-L1044 HydrophobicContact CD2-CG 4.28Å; L1042-L1044 HydrophobicContact CG-CD2 4.32Å; L1042-L1044 HydrophobicContact CG-CG 4.07Å; L1044-P1046 VanDerWaalsContact C-CD 3.4Å; L1044-L1071 HydrophobicContact CD1-CB 4.24Å; L1044-L1071 HydrophobicContact CD1-CD1 3.98Å; L1044-L1071 HydrophobicContact CD1-CD2 4.23Å; L1044-L1071 HydrophobicContact CD1-CG 4.38Å; L1044-H1075 PolarHBondContact N-NE2 2.96Å |
| 1045 | F | 89.2 | Confident | 87.9 | Confident | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | trans | -130 | 58.5 | -172.8 | -53.8 | -60.3 | 0 | 0 | 0 | 111.7 | L1018 N1043 N1047 L1050 I1053 F1068 I1072 H1075 I1077 | L1018-F1045 HydrophobicContact CD1-CE1 4.05Å; L1018-F1045 HydrophobicContact CD2-CE1 4.1Å; N1043-F1045 VanDerWaalsContact C-N 3.27Å; N1043-F1045 PolarHBondContact OD1-N 3.28Å; N1043-F1045 PolarHBondContact OD1-O 3.15Å; F1045-N1047 PolarHBondContact O-N 3.11Å; F1045-L1050 HydrophobicContact CB-CD2 3.96Å; F1045-L1050 HydrophobicContact CD1-CD2 4.14Å; F1045-L1050 HydrophobicContact CG-CD2 4.34Å; F1045-I1053 HydrophobicContact CD1-CD1 3.91Å; F1045-I1053 HydrophobicContact CE1-CD1 4.1Å; F1045-I1053 HydrophobicContact CE1-CG2 4.45Å; F1045-F1068 AromaticContact CE1-CE2 3.85Å; F1045-F1068 HydrophobicContact CE1-CE2 3.85Å; F1045-F1068 HydrophobicContact CZ-CD2 4.14Å; F1045-F1068 AromaticContact CZ-CE2 3.67Å; F1045-F1068 HydrophobicContact CZ-CE2 3.67Å; F1045-I1072 HydrophobicContact CD2-CG1 4.05Å; F1045-I1072 HydrophobicContact CE2-CB 3.87Å; F1045-I1072 HydrophobicContact CE2-CD1 4.46Å; F1045-I1072 HydrophobicContact CE2-CG1 3.83Å; F1045-I1072 HydrophobicContact CZ-CB 4.32Å; F1045-I1072 HydrophobicContact CZ-CD1 4.46Å; F1045-I1072 HydrophobicContact CZ-CG1 4.28Å; F1045-H1075 AromaticContact CD2-CD2 3.95Å; F1045-H1075 AromaticContact CD2-CE1 3.49Å; F1045-H1075 VanDerWaalsContact CD2-CE1 3.49Å; F1045-H1075 WeakPolarHBondContact CD2-CE1 3.31Å; F1045-H1075 AromaticContact CD2-CG 3.87Å; F1045-H1075 AromaticContact CD2-ND1 3.57Å; F1045-H1075 AromaticContact CD2-NE2 3.73Å; F1045-H1075 AromaticContact CE2-CE1 3.77Å; F1045-H1075 AromaticContact CE2-ND1 3.88Å; F1045-I1077 HydrophobicContact CB-CD1 4.12Å; F1045-I1077 HydrophobicContact CD2-CD1 3.96Å; F1045-I1077 HydrophobicContact CG-CD1 4.23Å | ||
| 1046 | P | 81.3 | Confident | 87.9 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | trans | -69.1 | -25 | 177.5 | 30.6 | -36 | 0 | 0 | 0 | 112.5 | L1044 | L1044-P1046 VanDerWaalsContact C-CD 3.4Š| ||
| 1047 | N | 74.9 | Confident | 88 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.8 | 139 | -177.6 | -75.2 | -14.1 | 0 | 0 | 0 | 112.4 | S1012 N1013 F1045 D1049 | S1012-N1047 WeakPolarHBondContact CB-ND2 3.46Å; S1012-N1047 PolarHBondContact OG-ND2 3.17Å; N1013-N1047 WeakPolarHBondContact OD1-CB 3.41Å; F1045-N1047 PolarHBondContact O-N 3.11Å; N1047-D1049 VanDerWaalsContact C-N 3.3Å; N1047-D1049 PolarHBondContact O-N 3.25Å |
| 1048 | N | 72.3 | Confident | 88 | Confident | 117 Ų | 117 | 50.9 Ų | 50.9 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -73.6 | -17.7 | -178.6 | -91.9 | -75.8 | 0 | 0 | 0 | 114 | R1081 | N1048-R1081 VanDerWaalsContact O-CD 3.3Å; N1048-R1081 WeakPolarHBondContact O-CD 3.27Å; N1048-R1081 PolarHBondContact O-NE 2.95Å; N1048-R1081 PolarHBondContact O-NH1 3.17Å; N1048-R1081 VanDerWaalsContact O-NH1 3.12Å; N1048-R1081 PolarHBondContact OD1-NH2 3.42Å |
| 1049 | D | 83.8 | Confident | 88 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | trans | -110.6 | 121.5 | 172.6 | -176.8 | 23 | 0 | 0 | 0 | 110.5 | N1013 N1047 T1051 | N1013-D1049 PolarHBondContact ND2-O 3.4Å; N1013-D1049 PolarHBondContact OD1-O 3.44Å; N1047-D1049 VanDerWaalsContact C-N 3.3Å; N1047-D1049 PolarHBondContact O-N 3.25Å; D1049-T1051 WeakPolarHBondContact OD1-CB 3.5Å; D1049-T1051 PolarHBondContact OD1-N 3.09Å; D1049-T1051 PolarHBondContact OD1-OG1 3.16Å | ||
| 1050 | L | 87.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -107.6 | 0.1 | -179.3 | -53.9 | 176.2 | 0 | 0 | 0 | 111.6 | F1045 N1052 I1053 L1054 I1072 I1077 R1081 | F1045-L1050 HydrophobicContact CB-CD2 3.96Å; F1045-L1050 HydrophobicContact CD1-CD2 4.14Å; F1045-L1050 HydrophobicContact CG-CD2 4.34Å; L1050-N1052 VanDerWaalsContact C-N 3.29Å; L1050-N1052 PolarHBondContact O-N 2.9Å; L1050-I1053 HydrophobicContact CD2-CD1 4.17Å; L1050-I1053 PolarHBondContact O-N 3.02Å; L1050-I1053 VanDerWaalsContact O-N 3.1Å; L1050-L1054 HydrophobicContact CB-CD1 3.89Å; L1050-L1054 HydrophobicContact CB-CG 4.03Å; L1050-L1054 WeakPolarHBondContact O-CB 3.49Å; L1050-L1054 WeakPolarHBondContact O-CG 3.19Å; L1050-L1054 PolarHBondContact O-N 3.38Å; L1050-I1072 HydrophobicContact CD1-CD1 4.35Å; L1050-I1077 HydrophobicContact CD1-CD1 3.85Å; L1050-I1077 HydrophobicContact CD1-CG1 4.33Å; L1050-I1077 HydrophobicContact CD1-CG2 3.64Å; L1050-R1081 HydrophobicContact CD1-CB 4.49Å | ||
| 1051 | T | 87.6 | Confident | 88.3 | Confident | 34 Ų | 34 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -41.5 | -169.7 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | D1049 N1055 P1084 | D1049-T1051 WeakPolarHBondContact OD1-CB 3.5Å; D1049-T1051 PolarHBondContact OD1-N 3.09Å; D1049-T1051 PolarHBondContact OD1-OG1 3.16Å; T1051-N1055 WeakPolarHBondContact O-CB 3.26Å; T1051-N1055 PolarHBondContact O-N 3.04Å; T1051-N1055 PolarHBondContact O-ND2 3.36Å; T1051-P1084 HydrophobicContact CG2-CB 4.36Å |
| 1052 | N | 89 | Confident | 88.5 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.6 | -45.7 | 178 | -67 | -6.1 | 0 | 0 | 0 | 112.3 | L1050 A1056 | L1050-N1052 VanDerWaalsContact C-N 3.29Å; L1050-N1052 PolarHBondContact O-N 2.9Å; N1052-A1056 VanDerWaalsContact O-CB 3.28Å; N1052-A1056 WeakPolarHBondContact O-CB 3.46Å; N1052-A1056 PolarHBondContact O-N 3.13Å |
| 1053 | I | 91.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 177.5 | -49.9 | 164.9 | 0 | 0 | 0 | 110.3 | N1013 T1015 L1018 F1045 L1050 N1055 A1056 S1057 W1060 F1068 | N1013-I1053 WeakPolarHBondContact OD1-CD1 3.24Å; T1015-I1053 HydrophobicContact CG2-CG1 4.33Å; L1018-I1053 HydrophobicContact CD1-CB 4.49Å; L1018-I1053 HydrophobicContact CD1-CD1 3.58Å; L1018-I1053 HydrophobicContact CD1-CG1 3.86Å; L1018-I1053 HydrophobicContact CD1-CG2 3.75Å; F1045-I1053 HydrophobicContact CD1-CD1 3.91Å; F1045-I1053 HydrophobicContact CE1-CD1 4.1Å; F1045-I1053 HydrophobicContact CE1-CG2 4.45Å; L1050-I1053 HydrophobicContact CD2-CD1 4.17Å; L1050-I1053 PolarHBondContact O-N 3.02Å; L1050-I1053 VanDerWaalsContact O-N 3.1Å; I1053-N1055 PolarHBondContact O-N 3.45Å; I1053-A1056 PolarHBondContact O-N 3.05Å; I1053-S1057 WeakPolarHBondContact O-CB 3.41Å; I1053-S1057 PolarHBondContact O-N 3.18Å; I1053-W1060 HydrophobicContact CG2-CH2 4.33Å; I1053-F1068 HydrophobicContact CG2-CE2 3.51Å; I1053-F1068 HydrophobicContact CG2-CZ 3.73Å |
| 1054 | L | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | -178 | -69.9 | 173.9 | 0 | 0 | 0 | 111.3 | L1050 S1057 F1068 W1069 I1072 F1082 L1085 | L1050-L1054 HydrophobicContact CB-CD1 3.89Å; L1050-L1054 HydrophobicContact CB-CG 4.03Å; L1050-L1054 WeakPolarHBondContact O-CB 3.49Å; L1050-L1054 WeakPolarHBondContact O-CG 3.19Å; L1050-L1054 PolarHBondContact O-N 3.38Å; L1054-S1057 PolarHBondContact O-N 3.1Å; L1054-S1057 PolarHBondContact O-OG 2.99Å; L1054-F1068 HydrophobicContact CD2-CE1 3.95Å; L1054-F1068 HydrophobicContact CD2-CZ 3.92Å; L1054-W1069 HydrophobicContact CD2-CH2 4.49Å; L1054-I1072 HydrophobicContact CD2-CD1 3.79Å; L1054-F1082 HydrophobicContact CD1-CD1 3.89Å; L1054-F1082 HydrophobicContact CD1-CE1 4.3Å; L1054-F1082 HydrophobicContact CD2-CD1 4.03Å; L1054-F1082 HydrophobicContact CD2-CE1 3.9Å; L1054-L1085 HydrophobicContact CB-CD1 4.07Å; L1054-L1085 HydrophobicContact CB-CD2 4.23Å; L1054-L1085 HydrophobicContact CD1-CD2 4.46Å; L1054-L1085 HydrophobicContact CD2-CD2 4.11Å |
| 1055 | N | 91.5 | Very high | 89 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 176 | -73.8 | -34 | 0 | 0 | 0 | 112 | T1051 I1053 S1057 L1058 S1088 | T1051-N1055 WeakPolarHBondContact O-CB 3.26Å; T1051-N1055 PolarHBondContact O-N 3.04Å; T1051-N1055 PolarHBondContact O-ND2 3.36Å; I1053-N1055 PolarHBondContact O-N 3.45Å; N1055-S1057 PolarHBondContact O-N 2.82Å; N1055-L1058 WeakPolarHBondContact O-CB 3.46Å; N1055-L1058 PolarHBondContact O-N 2.93Å; N1055-L1058 VanDerWaalsContact O-N 3.16Å; N1055-S1088 PolarHBondContact OD1-OG 3.05Å |
| 1056 | A | 92.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1015 N1052 I1053 L1058 E1059 W1060 | T1015-A1056 HydrophobicContact CG2-CB 3.9Å; N1052-A1056 VanDerWaalsContact O-CB 3.28Å; N1052-A1056 WeakPolarHBondContact O-CB 3.46Å; N1052-A1056 PolarHBondContact O-N 3.13Å; I1053-A1056 PolarHBondContact O-N 3.05Å; A1056-L1058 PolarHBondContact O-N 3.13Å; A1056-E1059 PolarHBondContact O-N 3.1Å; A1056-E1059 VanDerWaalsContact O-N 3.16Å; A1056-W1060 PolarHBondContact O-NE1 2.92Å |
| 1057 | S | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -23.9 | 179 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | I1053 L1054 N1055 E1059 W1060 Q1065 F1068 | I1053-S1057 WeakPolarHBondContact O-CB 3.41Å; I1053-S1057 PolarHBondContact O-N 3.18Å; L1054-S1057 PolarHBondContact O-N 3.1Å; L1054-S1057 PolarHBondContact O-OG 2.99Å; N1055-S1057 PolarHBondContact O-N 2.82Å; S1057-E1059 PolarHBondContact O-N 2.96Å; S1057-W1060 WeakPolarHBondContact O-CB 3.38Å; S1057-W1060 PolarHBondContact O-N 3.24Å; S1057-W1060 VanDerWaalsContact O-N 3.16Å; S1057-Q1065 WeakPolarHBondContact O-CG 3.33Å; S1057-Q1065 PolarHBondContact O-NE2 3.48Å; S1057-F1068 WeakPolarHBondContact OG-CE1 3.35Å |
| 1058 | L | 92.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.4 | 177.9 | -59.1 | 179 | 0 | 0 | 0 | 113 | N1055 A1056 Q1065 L1085 V1089 H1094 A1097 | N1055-L1058 WeakPolarHBondContact O-CB 3.46Å; N1055-L1058 PolarHBondContact O-N 2.93Å; N1055-L1058 VanDerWaalsContact O-N 3.16Å; A1056-L1058 PolarHBondContact O-N 3.13Å; L1058-Q1065 PolarHBondContact O-NE2 2.88Å; L1058-L1085 HydrophobicContact CD1-CD1 3.9Å; L1058-L1085 HydrophobicContact CD2-CD1 4.12Å; L1058-L1085 HydrophobicContact CG-CD1 4.2Å; L1058-V1089 HydrophobicContact CD1-CG2 4.18Å; L1058-V1089 HydrophobicContact CD2-CG2 3.77Å; L1058-H1094 HydrophobicContact CD2-CB 4.04Å; L1058-A1097 HydrophobicContact CD2-CB 3.74Å |
| 1059 | E | 92.5 | Very high | 91.8 | Very high | 173 Ų | 173 | 42.6 Ų | 42.6 | 81% | 0.808 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -8.2 | 176.9 | -56.8 | -166.7 | 156.9 | 0 | 0 | 113.1 | A1056 S1057 | A1056-E1059 PolarHBondContact O-N 3.1Å; A1056-E1059 VanDerWaalsContact O-N 3.16Å; S1057-E1059 PolarHBondContact O-N 2.96Å |
| 1060 | W | 93.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -74.4 | 156.5 | 176.6 | -60.9 | -0.3 | 0 | 0 | 0 | 110.9 | T1015 L1018 R1019 V1022 I1053 A1056 S1057 E1064 Q1065 F1068 | T1015-W1060 VanDerWaalsContact O-CZ2 3.32Å; T1015-W1060 WeakPolarHBondContact O-CZ2 3.06Å; L1018-W1060 HydrophobicContact CB-CH2 4Å; R1019-W1060 HydrophobicContact CB-CD2 4.42Å; R1019-W1060 HydrophobicContact CB-CH2 4.37Å; R1019-W1060 HydrophobicContact CB-CZ2 3.89Å; R1019-W1060 HydrophobicContact CG-CD2 4.19Å; R1019-W1060 HydrophobicContact CG-CG 4.41Å; V1022-W1060 HydrophobicContact CG2-CE3 3.77Å; V1022-W1060 HydrophobicContact CG2-CZ3 3.78Å; I1053-W1060 HydrophobicContact CG2-CH2 4.33Å; A1056-W1060 PolarHBondContact O-NE1 2.92Å; S1057-W1060 WeakPolarHBondContact O-CB 3.38Å; S1057-W1060 PolarHBondContact O-N 3.24Å; S1057-W1060 VanDerWaalsContact O-N 3.16Å; W1060-E1064 WeakPolarHBondContact CA-OE2 3.4Å; W1060-E1064 HydrophobicContact CB-CB 3.75Å; W1060-E1064 WeakPolarHBondContact CB-OE2 3.26Å; W1060-E1064 HydrophobicContact CE3-CB 4.37Å; W1060-E1064 HydrophobicContact CG-CB 4.49Å; W1060-Q1065 HydrophobicContact CB-CG 4.12Å; W1060-Q1065 PolarHBondContact O-NE2 3.42Å; W1060-F1068 HydrophobicContact CE3-CB 4.24Å; W1060-F1068 HydrophobicContact CE3-CG 4.41Å; W1060-F1068 HydrophobicContact CH2-CD2 4.29Å; W1060-F1068 HydrophobicContact CZ3-CB 3.94Å; W1060-F1068 AromaticContact CZ3-CD2 3.74Å; W1060-F1068 HydrophobicContact CZ3-CD2 3.74Å; W1060-F1068 HydrophobicContact CZ3-CE2 4.44Å; W1060-F1068 AromaticContact CZ3-CG 3.85Å; W1060-F1068 HydrophobicContact CZ3-CG 3.85Å |
| 1061 | N | 91.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | trans | -71.3 | 161.3 | -178.2 | 80.6 | 61.9 | 0 | 0 | 0 | 112.3 | I1063 E1064 Q1065 | N1061-I1063 PolarHBondContact O-N 3.46Å; N1061-I1063 WeakPolarHBondContact OD1-CB 3.44Å; N1061-I1063 PolarHBondContact OD1-N 3.31Å; N1061-E1064 PolarHBondContact N-OE2 3.35Å; N1061-E1064 VanDerWaalsContact ND2-CG 3.35Å; N1061-E1064 WeakPolarHBondContact ND2-CG 3.23Å; N1061-E1064 PolarHBondContact ND2-OE1 3.25Å; N1061-E1064 PolarHBondContact ND2-OE2 3.45Å; N1061-E1064 WeakPolarHBondContact O-CA 3.48Å; N1061-E1064 WeakPolarHBondContact O-CB 3.45Å; N1061-E1064 PolarHBondContact O-N 3.14Å; N1061-E1064 PolarHBondContact OD1-N 2.99Å; N1061-Q1065 PolarHBondContact O-N 2.87Å | ||
| 1062 | S | 91.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 41 Ų | 41 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.4 | -30.3 | -177 | -63.3 | 0 | 0 | 0 | 0 | 115.7 | L1066 E1096 | S1062-L1066 WeakPolarHBondContact O-CB 3.2Å; S1062-L1066 PolarHBondContact O-N 2.81Å; S1062-E1096 WeakPolarHBondContact CB-OE1 3.23Å; S1062-E1096 PolarHBondContact OG-OE1 3.15Å |
| 1063 | I | 91.6 | Very high | 93 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -82 | -41.9 | 178.1 | -60.1 | 177.6 | 0 | 0 | 0 | 110.5 | N1061 Q1065 L1066 F1067 | N1061-I1063 PolarHBondContact O-N 3.46Å; N1061-I1063 WeakPolarHBondContact OD1-CB 3.44Å; N1061-I1063 PolarHBondContact OD1-N 3.31Å; I1063-Q1065 VanDerWaalsContact C-N 3.35Å; I1063-L1066 PolarHBondContact O-N 2.97Å; I1063-F1067 HydrophobicContact CG2-CD2 3.84Å; I1063-F1067 HydrophobicContact CG2-CE2 3.47Å; I1063-F1067 VanDerWaalsContact CG2-CE2 3.47Å; I1063-F1067 HydrophobicContact CG2-CZ 3.99Å; I1063-F1067 PolarHBondContact O-N 3.21Å |
| 1064 | E | 94.6 | Very high | 93 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 171.7 | -70.2 | 165.4 | -177.6 | 0 | 0 | 110.3 | R1019 V1022 A1023 W1060 N1061 F1068 | R1019-E1064 IonicContact CZ-OE2 3.55Å; R1019-E1064 IonicContact NE-OE1 2.72Å; R1019-E1064 IonicContact NE-OE2 3.49Å; R1019-E1064 PolarHBondContact NE-OE2 2.75Å; R1019-E1064 IonicContact NH2-OE2 3.55Å; R1019-E1064 PolarHBondContact NH2-OE2 2.81Å; V1022-E1064 HydrophobicContact CB-CB 4.49Å; V1022-E1064 HydrophobicContact CG2-CB 3.77Å; V1022-E1064 HydrophobicContact CG2-CG 4.05Å; A1023-E1064 HydrophobicContact CB-CG 4.45Å; W1060-E1064 WeakPolarHBondContact CA-OE2 3.4Å; W1060-E1064 HydrophobicContact CB-CB 3.75Å; W1060-E1064 WeakPolarHBondContact CB-OE2 3.26Å; W1060-E1064 HydrophobicContact CE3-CB 4.37Å; W1060-E1064 HydrophobicContact CG-CB 4.49Å; N1061-E1064 PolarHBondContact N-OE2 3.35Å; N1061-E1064 VanDerWaalsContact ND2-CG 3.35Å; N1061-E1064 WeakPolarHBondContact ND2-CG 3.23Å; N1061-E1064 PolarHBondContact ND2-OE1 3.25Å; N1061-E1064 PolarHBondContact ND2-OE2 3.45Å; N1061-E1064 WeakPolarHBondContact O-CA 3.48Å; N1061-E1064 WeakPolarHBondContact O-CB 3.45Å; N1061-E1064 PolarHBondContact O-N 3.14Å; N1061-E1064 PolarHBondContact OD1-N 2.99Å; E1064-F1068 WeakPolarHBondContact O-CB 3.22Å; E1064-F1068 PolarHBondContact O-N 3.25Å |
| 1065 | Q | 94.6 | Very high | 93 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 174 | -73.4 | -164.9 | 50.2 | 0 | 0 | 112.6 | S1057 L1058 W1060 N1061 I1063 F1067 F1068 W1069 E1096 | S1057-Q1065 WeakPolarHBondContact O-CG 3.33Å; S1057-Q1065 PolarHBondContact O-NE2 3.48Å; L1058-Q1065 PolarHBondContact O-NE2 2.88Å; W1060-Q1065 HydrophobicContact CB-CG 4.12Å; W1060-Q1065 PolarHBondContact O-NE2 3.42Å; N1061-Q1065 PolarHBondContact O-N 2.87Å; I1063-Q1065 VanDerWaalsContact C-N 3.35Å; Q1065-F1067 PolarHBondContact O-N 2.92Å; Q1065-F1068 PolarHBondContact O-N 3.45Å; Q1065-W1069 WeakPolarHBondContact O-CB 3.15Å; Q1065-W1069 PolarHBondContact O-N 3.12Å; Q1065-E1096 HydrophobicContact CB-CB 4.05Å; Q1065-E1096 HydrophobicContact CB-CG 4.24Å |
| 1066 | L | 93.4 | Very high | 92.8 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 42% | 0.424 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 179.2 | 178.8 | 63.5 | 0 | 0 | 0 | 112 | S1062 I1063 Q1070 | S1062-L1066 WeakPolarHBondContact O-CB 3.2Å; S1062-L1066 PolarHBondContact O-N 2.81Å; I1063-L1066 PolarHBondContact O-N 2.97Å; L1066-Q1070 VanDerWaalsContact O-CG 3.25Å; L1066-Q1070 WeakPolarHBondContact O-CG 3.43Å; L1066-Q1070 PolarHBondContact O-N 3.08Å |
| 1067 | F | 95.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72 | -39.5 | 176.7 | -67.1 | -32.3 | 0 | 0 | 0 | 112.2 | V1022 I1025 P1027 C1030 I1063 Q1065 W1069 Q1070 L1071 | V1022-F1067 HydrophobicContact CB-CB 4.21Å; V1022-F1067 HydrophobicContact CG1-CB 4.11Å; I1025-F1067 HydrophobicContact CD1-CB 4.08Å; I1025-F1067 HydrophobicContact CD1-CD2 4.31Å; I1025-F1067 HydrophobicContact CD1-CG 4.27Å; I1025-F1067 HydrophobicContact CG1-CB 4.45Å; I1025-F1067 HydrophobicContact CG1-CD2 3.77Å; I1025-F1067 HydrophobicContact CG1-CE2 4.21Å; I1025-F1067 HydrophobicContact CG1-CG 4.21Å; P1027-F1067 HydrophobicContact CB-CE1 4.44Å; P1027-F1067 HydrophobicContact CG-CE1 4.11Å; P1027-F1067 HydrophobicContact CG-CZ 3.9Å; C1030-F1067 HydrophobicContact CB-CD1 4.04Å; C1030-F1067 HydrophobicContact CB-CE1 4.23Å; I1063-F1067 HydrophobicContact CG2-CD2 3.84Å; I1063-F1067 HydrophobicContact CG2-CE2 3.47Å; I1063-F1067 VanDerWaalsContact CG2-CE2 3.47Å; I1063-F1067 HydrophobicContact CG2-CZ 3.99Å; I1063-F1067 PolarHBondContact O-N 3.21Å; Q1065-F1067 PolarHBondContact O-N 2.92Å; F1067-W1069 VanDerWaalsContact C-N 3.35Å; F1067-W1069 PolarHBondContact O-N 3.05Å; F1067-Q1070 PolarHBondContact O-N 3.25Å; F1067-Q1070 VanDerWaalsContact O-N 3.13Å; F1067-L1071 WeakPolarHBondContact O-CG 3.22Å; F1067-L1071 PolarHBondContact O-N 3.43Å |
| 1068 | F | 95.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.5 | -49.6 | 172.4 | 173.4 | -110.1 | 0 | 0 | 0 | 111.6 | V1022 F1045 I1053 L1054 S1057 W1060 E1064 Q1065 Q1070 L1071 I1072 | V1022-F1068 HydrophobicContact CG1-CB 4.21Å; F1045-F1068 AromaticContact CE1-CE2 3.85Å; F1045-F1068 HydrophobicContact CE1-CE2 3.85Å; F1045-F1068 HydrophobicContact CZ-CD2 4.14Å; F1045-F1068 AromaticContact CZ-CE2 3.67Å; F1045-F1068 HydrophobicContact CZ-CE2 3.67Å; I1053-F1068 HydrophobicContact CG2-CE2 3.51Å; I1053-F1068 HydrophobicContact CG2-CZ 3.73Å; L1054-F1068 HydrophobicContact CD2-CE1 3.95Å; L1054-F1068 HydrophobicContact CD2-CZ 3.92Å; S1057-F1068 WeakPolarHBondContact OG-CE1 3.35Å; W1060-F1068 HydrophobicContact CE3-CB 4.24Å; W1060-F1068 HydrophobicContact CE3-CG 4.41Å; W1060-F1068 HydrophobicContact CH2-CD2 4.29Å; W1060-F1068 HydrophobicContact CZ3-CB 3.94Å; W1060-F1068 AromaticContact CZ3-CD2 3.74Å; W1060-F1068 HydrophobicContact CZ3-CD2 3.74Å; W1060-F1068 HydrophobicContact CZ3-CE2 4.44Å; W1060-F1068 AromaticContact CZ3-CG 3.85Å; W1060-F1068 HydrophobicContact CZ3-CG 3.85Å; E1064-F1068 WeakPolarHBondContact O-CB 3.22Å; E1064-F1068 PolarHBondContact O-N 3.25Å; Q1065-F1068 PolarHBondContact O-N 3.45Å; F1068-Q1070 VanDerWaalsContact C-N 3.31Å; F1068-Q1070 PolarHBondContact O-N 3.31Å; F1068-L1071 PolarHBondContact O-N 2.95Å; F1068-I1072 HydrophobicContact CE1-CD1 4.27Å; F1068-I1072 HydrophobicContact CE2-CD1 4.26Å; F1068-I1072 HydrophobicContact CZ-CD1 3.71Å; F1068-I1072 PolarHBondContact O-N 3.1Å |
| 1069 | W | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -28.4 | 176.7 | -79.7 | 109 | 0 | 0 | 0 | 113.3 | L1054 Q1065 F1067 I1072 N1073 F1082 L1085 A1097 N1100 L1101 | L1054-W1069 HydrophobicContact CD2-CH2 4.49Å; Q1065-W1069 WeakPolarHBondContact O-CB 3.15Å; Q1065-W1069 PolarHBondContact O-N 3.12Å; F1067-W1069 VanDerWaalsContact C-N 3.35Å; F1067-W1069 PolarHBondContact O-N 3.05Å; W1069-I1072 HydrophobicContact CD2-CG2 4.25Å; W1069-I1072 HydrophobicContact CE3-CG2 3.51Å; W1069-I1072 HydrophobicContact CZ3-CG2 4.02Å; W1069-N1073 VanDerWaalsContact O-CB 3.25Å; W1069-N1073 WeakPolarHBondContact O-CB 3.32Å; W1069-N1073 VanDerWaalsContact O-CG 3.23Å; W1069-N1073 PolarHBondContact O-N 2.71Å; W1069-N1073 PolarHBondContact O-ND2 3.43Å; W1069-F1082 AromaticContact CH2-CD1 3.88Å; W1069-F1082 HydrophobicContact CH2-CD1 3.88Å; W1069-F1082 AromaticContact CH2-CE1 3.91Å; W1069-F1082 HydrophobicContact CH2-CE1 3.91Å; W1069-F1082 HydrophobicContact CZ3-CD1 4.06Å; W1069-F1082 AromaticContact CZ3-CE1 3.68Å; W1069-F1082 HydrophobicContact CZ3-CE1 3.68Å; W1069-L1085 HydrophobicContact CH2-CD2 3.77Å; W1069-L1085 HydrophobicContact CZ2-CD2 3.69Å; W1069-A1097 HydrophobicContact CZ2-CB 4Å; W1069-N1100 HydrophobicContact CB-CB 4.38Å; W1069-N1100 WeakPolarHBondContact CB-ND2 3.24Å; W1069-N1100 HydrophobicContact CD2-CB 3.53Å; W1069-N1100 HydrophobicContact CE3-CB 3.47Å; W1069-N1100 VanDerWaalsContact CE3-CB 3.47Å; W1069-N1100 HydrophobicContact CG-CB 3.94Å; W1069-N1100 HydrophobicContact CH2-CB 4.45Å; W1069-N1100 HydrophobicContact CZ3-CB 3.96Å; W1069-L1101 HydrophobicContact CH2-CD2 4.36Å; W1069-L1101 HydrophobicContact CH2-CG 4.4Å |
| 1070 | Q | 93.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.8 | -38.1 | 172 | -75.9 | 173.7 | 3.5 | 0 | 0 | 112.6 | C1030 I1034 L1066 F1067 F1068 A1074 | C1030-Q1070 PolarHBondContact SG-OE1 2.91Å; I1034-Q1070 HydrophobicContact CD1-CB 4.05Å; L1066-Q1070 VanDerWaalsContact O-CG 3.25Å; L1066-Q1070 WeakPolarHBondContact O-CG 3.43Å; L1066-Q1070 PolarHBondContact O-N 3.08Å; F1067-Q1070 PolarHBondContact O-N 3.25Å; F1067-Q1070 VanDerWaalsContact O-N 3.13Å; F1068-Q1070 VanDerWaalsContact C-N 3.31Å; F1068-Q1070 PolarHBondContact O-N 3.31Å; Q1070-A1074 PolarHBondContact O-N 2.95Å |
| 1071 | L | 93.8 | Very high | 91 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -41.5 | 176.8 | -66.8 | 166.9 | 0 | 0 | 0 | 111.7 | V1022 I1025 L1033 I1034 I1037 L1044 F1067 F1068 A1074 H1075 | V1022-L1071 HydrophobicContact CG1-CD1 3.9Å; I1025-L1071 HydrophobicContact CD1-CD1 4Å; L1033-L1071 HydrophobicContact CB-CD2 3.9Å; I1034-L1071 HydrophobicContact CG1-CD2 4.05Å; I1037-L1071 HydrophobicContact CD1-CB 4.46Å; I1037-L1071 HydrophobicContact CD1-CD2 3.61Å; L1044-L1071 HydrophobicContact CD1-CB 4.24Å; L1044-L1071 HydrophobicContact CD1-CD1 3.98Å; L1044-L1071 HydrophobicContact CD1-CD2 4.23Å; L1044-L1071 HydrophobicContact CD1-CG 4.38Å; F1067-L1071 WeakPolarHBondContact O-CG 3.22Å; F1067-L1071 PolarHBondContact O-N 3.43Å; F1068-L1071 PolarHBondContact O-N 2.95Å; L1071-A1074 WeakPolarHBondContact O-CB 3.4Å; L1071-A1074 PolarHBondContact O-N 3.22Å; L1071-A1074 VanDerWaalsContact O-N 3.15Å; L1071-H1075 PolarHBondContact O-CE1 3.44Å; L1071-H1075 PolarHBondContact O-ND1 3.35Å |
| 1072 | I | 92.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69 | -37.1 | 179.5 | -152.1 | 165.7 | 0 | 0 | 0 | 111.8 | F1045 L1050 L1054 F1068 W1069 A1074 H1075 I1077 F1082 | F1045-I1072 HydrophobicContact CD2-CG1 4.05Å; F1045-I1072 HydrophobicContact CE2-CB 3.87Å; F1045-I1072 HydrophobicContact CE2-CD1 4.46Å; F1045-I1072 HydrophobicContact CE2-CG1 3.83Å; F1045-I1072 HydrophobicContact CZ-CB 4.32Å; F1045-I1072 HydrophobicContact CZ-CD1 4.46Å; F1045-I1072 HydrophobicContact CZ-CG1 4.28Å; L1050-I1072 HydrophobicContact CD1-CD1 4.35Å; L1054-I1072 HydrophobicContact CD2-CD1 3.79Å; F1068-I1072 HydrophobicContact CE1-CD1 4.27Å; F1068-I1072 HydrophobicContact CE2-CD1 4.26Å; F1068-I1072 HydrophobicContact CZ-CD1 3.71Å; F1068-I1072 PolarHBondContact O-N 3.1Å; W1069-I1072 HydrophobicContact CD2-CG2 4.25Å; W1069-I1072 HydrophobicContact CE3-CG2 3.51Å; W1069-I1072 HydrophobicContact CZ3-CG2 4.02Å; I1072-A1074 PolarHBondContact O-N 3.19Å; I1072-H1075 PolarHBondContact O-N 2.94Å; I1072-H1075 VanDerWaalsContact O-N 3.17Å; I1072-I1077 HydrophobicContact CD1-CD1 4.22Å; I1072-I1077 HydrophobicContact CG1-CD1 3.4Å; I1072-F1082 HydrophobicContact CD1-CE1 3.89Å; I1072-F1082 HydrophobicContact CD1-CZ 4.15Å; I1072-F1082 HydrophobicContact CG1-CE1 4.47Å; I1072-F1082 HydrophobicContact CG1-CZ 4.29Å |
| 1073 | N | 91.2 | Very high | 90.6 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -8.9 | 173 | -76.4 | -46.5 | 0 | 0 | 0 | 113.6 | W1069 N1100 | W1069-N1073 VanDerWaalsContact O-CB 3.25Å; W1069-N1073 WeakPolarHBondContact O-CB 3.32Å; W1069-N1073 VanDerWaalsContact O-CG 3.23Å; W1069-N1073 PolarHBondContact O-N 2.71Å; W1069-N1073 PolarHBondContact O-ND2 3.43Å; N1073-N1100 PolarHBondContact ND2-OD1 2.81Å; N1073-N1100 VanDerWaalsContact ND2-OD1 3.14Å |
| 1074 | A | 92.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -14.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1034 I1037 V1038 Q1070 L1071 I1072 | I1034-A1074 HydrophobicContact CB-CB 4.42Å; I1034-A1074 HydrophobicContact CG1-CB 4.19Å; I1034-A1074 HydrophobicContact CG2-CB 3.97Å; I1037-A1074 HydrophobicContact CB-CB 4.35Å; I1037-A1074 HydrophobicContact CD1-CB 4.46Å; I1037-A1074 HydrophobicContact CG2-CB 3.83Å; I1037-A1074 WeakPolarHBondContact CG2-O 3.4Å; V1038-A1074 HydrophobicContact CG2-CB 4.37Å; Q1070-A1074 PolarHBondContact O-N 2.95Å; L1071-A1074 WeakPolarHBondContact O-CB 3.4Å; L1071-A1074 PolarHBondContact O-N 3.22Å; L1071-A1074 VanDerWaalsContact O-N 3.15Å; I1072-A1074 PolarHBondContact O-N 3.19Å |
| 1075 | H | 91.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -96.7 | 148.3 | 174.8 | -61.9 | 72.6 | 0 | 0 | 0 | 110.4 | N1043 L1044 F1045 L1071 I1072 I1077 | N1043-H1075 PolarHBondContact OD1-CD2 2.84Å; L1044-H1075 PolarHBondContact N-NE2 2.96Å; F1045-H1075 AromaticContact CD2-CD2 3.95Å; F1045-H1075 AromaticContact CD2-CE1 3.49Å; F1045-H1075 VanDerWaalsContact CD2-CE1 3.49Å; F1045-H1075 WeakPolarHBondContact CD2-CE1 3.31Å; F1045-H1075 AromaticContact CD2-CG 3.87Å; F1045-H1075 AromaticContact CD2-ND1 3.57Å; F1045-H1075 AromaticContact CD2-NE2 3.73Å; F1045-H1075 AromaticContact CE2-CE1 3.77Å; F1045-H1075 AromaticContact CE2-ND1 3.88Å; L1071-H1075 PolarHBondContact O-CE1 3.44Å; L1071-H1075 PolarHBondContact O-ND1 3.35Å; I1072-H1075 PolarHBondContact O-N 2.94Å; I1072-H1075 VanDerWaalsContact O-N 3.17Å; H1075-I1077 HydrophobicContact CB-CD1 3.75Å; H1075-I1077 HydrophobicContact CB-CG1 3.86Å; H1075-I1077 PolarHBondContact O-N 3.15Å |
| 1076 | E | 86.7 | Confident | 89.5 | Confident | 151 Ų | 151 | 40.2 Ų | 40.2 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | trans | -78.8 | 55.8 | 177.2 | -66.9 | -164.2 | 144.8 | 0 | 0 | 112.9 | S1315 | E1076-S1315 VanDerWaalsContact CD-OG 3.31Å; E1076-S1315 VanDerWaalsContact OE1-CB 3.29Å; E1076-S1315 WeakPolarHBondContact OE1-CB 3.41Å; E1076-S1315 PolarHBondContact OE1-OG 3.41Å; E1076-S1315 WeakPolarHBondContact OE2-CB 3.32Å; E1076-S1315 PolarHBondContact OE2-OG 3.49Å | ||
| 1077 | I | 87.6 | Confident | 89.1 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 18% | 0.179 | 22% | 0.216 | C | C | . | . | trans | -80.2 | 126 | -176.7 | -65.3 | 161.2 | 0 | 0 | 0 | 110.9 | F1045 L1050 I1072 H1075 R1081 F1082 | F1045-I1077 HydrophobicContact CB-CD1 4.12Å; F1045-I1077 HydrophobicContact CD2-CD1 3.96Å; F1045-I1077 HydrophobicContact CG-CD1 4.23Å; L1050-I1077 HydrophobicContact CD1-CD1 3.85Å; L1050-I1077 HydrophobicContact CD1-CG1 4.33Å; L1050-I1077 HydrophobicContact CD1-CG2 3.64Å; I1072-I1077 HydrophobicContact CD1-CD1 4.22Å; I1072-I1077 HydrophobicContact CG1-CD1 3.4Å; H1075-I1077 HydrophobicContact CB-CD1 3.75Å; H1075-I1077 HydrophobicContact CB-CG1 3.86Å; H1075-I1077 PolarHBondContact O-N 3.15Å; I1077-R1081 HydrophobicContact CG2-CB 4.01Å; I1077-R1081 HydrophobicContact CG2-CG 4.08Å; I1077-F1082 HydrophobicContact CB-CE2 4.26Å; I1077-F1082 HydrophobicContact CB-CZ 4.35Å; I1077-F1082 HydrophobicContact CG2-CE2 3.59Å; I1077-F1082 HydrophobicContact CG2-CZ 3.83Å | ||
| 1078 | P | 86.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 49% | 0.494 | 23% | 0.231 | S | C | . | . | trans | -64.5 | 137.2 | 179.6 | -23.7 | 34.3 | 0 | 0 | 0 | 113.8 | S1080 R1081 | P1078-S1080 PolarHBondContact O-N 3Å; P1078-R1081 WeakPolarHBondContact O-CB 3.49Å; P1078-R1081 PolarHBondContact O-N 3.15Å | ||
| 1079 | T | 84.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -50 | -32.1 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | R1081 F1082 L1104 E1108 L1114 | T1079-R1081 PolarHBondContact O-N 3.22Å; T1079-F1082 PolarHBondContact O-N 2.94Å; T1079-L1104 HydrophobicContact CG2-CD2 3.35Å; T1079-E1108 HydrophobicContact CG2-CG 3.9Å; T1079-E1108 VanDerWaalsContact OG1-CG 3.23Å; T1079-E1108 WeakPolarHBondContact OG1-CG 3.11Å; T1079-E1108 PolarHBondContact OG1-OE1 3.16Å; T1079-L1114 HydrophobicContact CG2-CD1 4.18Å; T1079-L1114 HydrophobicContact CG2-CD2 3.91Å |
| 1080 | S | 83.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -60.8 | -26.4 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | P1078 F1082 L1083 | P1078-S1080 PolarHBondContact O-N 3Å; S1080-F1082 PolarHBondContact O-N 3.44Å; S1080-L1083 WeakPolarHBondContact O-CB 3.43Å; S1080-L1083 WeakPolarHBondContact O-CG 3.39Å; S1080-L1083 PolarHBondContact O-N 3.04Å |
| 1081 | R | 85.4 | Confident | 87.2 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -65.8 | -20.7 | 175.2 | -60.6 | -59.3 | -174 | -171.7 | 2.5 | 113.1 | N1048 L1050 I1077 P1078 T1079 | N1048-R1081 VanDerWaalsContact O-CD 3.3Å; N1048-R1081 WeakPolarHBondContact O-CD 3.27Å; N1048-R1081 PolarHBondContact O-NE 2.95Å; N1048-R1081 PolarHBondContact O-NH1 3.17Å; N1048-R1081 VanDerWaalsContact O-NH1 3.12Å; N1048-R1081 PolarHBondContact OD1-NH2 3.42Å; L1050-R1081 HydrophobicContact CD1-CB 4.49Å; I1077-R1081 HydrophobicContact CG2-CB 4.01Å; I1077-R1081 HydrophobicContact CG2-CG 4.08Å; P1078-R1081 WeakPolarHBondContact O-CB 3.49Å; P1078-R1081 PolarHBondContact O-N 3.15Å; T1079-R1081 PolarHBondContact O-N 3.22Å |
| 1082 | F | 89.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -94.8 | -0.5 | 179.2 | -55.1 | -90.1 | 0 | 0 | 0 | 113.4 | L1054 W1069 I1072 I1077 T1079 S1080 P1084 L1085 I1086 L1101 L1104 | L1054-F1082 HydrophobicContact CD1-CD1 3.89Å; L1054-F1082 HydrophobicContact CD1-CE1 4.3Å; L1054-F1082 HydrophobicContact CD2-CD1 4.03Å; L1054-F1082 HydrophobicContact CD2-CE1 3.9Å; W1069-F1082 AromaticContact CH2-CD1 3.88Å; W1069-F1082 HydrophobicContact CH2-CD1 3.88Å; W1069-F1082 AromaticContact CH2-CE1 3.91Å; W1069-F1082 HydrophobicContact CH2-CE1 3.91Å; W1069-F1082 HydrophobicContact CZ3-CD1 4.06Å; W1069-F1082 AromaticContact CZ3-CE1 3.68Å; W1069-F1082 HydrophobicContact CZ3-CE1 3.68Å; I1072-F1082 HydrophobicContact CD1-CE1 3.89Å; I1072-F1082 HydrophobicContact CD1-CZ 4.15Å; I1072-F1082 HydrophobicContact CG1-CE1 4.47Å; I1072-F1082 HydrophobicContact CG1-CZ 4.29Å; I1077-F1082 HydrophobicContact CB-CE2 4.26Å; I1077-F1082 HydrophobicContact CB-CZ 4.35Å; I1077-F1082 HydrophobicContact CG2-CE2 3.59Å; I1077-F1082 HydrophobicContact CG2-CZ 3.83Å; T1079-F1082 PolarHBondContact O-N 2.94Å; S1080-F1082 PolarHBondContact O-N 3.44Å; F1082-P1084 VanDerWaalsContact C-CD 3.48Å; F1082-L1085 WeakPolarHBondContact O-CB 3.43Å; F1082-L1085 PolarHBondContact O-N 3.49Å; F1082-L1085 VanDerWaalsContact O-N 3.08Å; F1082-I1086 PolarHBondContact O-N 3.04Å; F1082-L1101 HydrophobicContact CB-CD2 4.03Å; F1082-L1104 HydrophobicContact CD2-CD1 4.06Å; F1082-L1104 HydrophobicContact CE2-CD1 3.83Å; F1082-L1104 HydrophobicContact CZ-CD1 4.16Å |
| 1083 | L | 85.2 | Confident | 86.5 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.8 | 177.9 | -74.9 | 167.9 | 0 | 0 | 0 | 114.5 | S1080 L1085 I1086 H1087 E1113 L1114 A1117 | S1080-L1083 WeakPolarHBondContact O-CB 3.43Å; S1080-L1083 WeakPolarHBondContact O-CG 3.39Å; S1080-L1083 PolarHBondContact O-N 3.04Å; L1083-L1085 VanDerWaalsContact C-N 3.29Å; L1083-L1085 PolarHBondContact O-N 3.33Å; L1083-I1086 HydrophobicContact CD2-CD1 4.45Å; L1083-I1086 PolarHBondContact O-N 2.64Å; L1083-H1087 PolarHBondContact O-ND1 3.26Å; L1083-E1113 HydrophobicContact CD1-CB 4.08Å; L1083-E1113 HydrophobicContact CD2-CB 4.33Å; L1083-L1114 HydrophobicContact CD2-CD2 3.55Å; L1083-L1114 HydrophobicContact CD2-CG 4.21Å; L1083-L1114 HydrophobicContact CG-CD2 4.4Å; L1083-A1117 HydrophobicContact CD2-CB 4.05Å |
| 1084 | P | 84.2 | Confident | 86.5 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -39.9 | 174 | -23.2 | 34.7 | 0 | 0 | 0 | 111.9 | T1051 F1082 I1086 H1087 S1088 | T1051-P1084 HydrophobicContact CG2-CB 4.36Å; F1082-P1084 VanDerWaalsContact C-CD 3.48Å; P1084-I1086 VanDerWaalsContact C-N 3.32Å; P1084-I1086 PolarHBondContact O-N 3.02Å; P1084-H1087 WeakPolarHBondContact O-CB 3.3Å; P1084-H1087 PolarHBondContact O-N 2.81Å; P1084-S1088 PolarHBondContact O-N 3Å |
| 1085 | L | 87.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -31.4 | -177 | -161.5 | 65 | 0 | 0 | 0 | 113 | L1054 L1058 W1069 F1082 L1083 H1087 S1088 V1089 L1101 | L1054-L1085 HydrophobicContact CB-CD1 4.07Å; L1054-L1085 HydrophobicContact CB-CD2 4.23Å; L1054-L1085 HydrophobicContact CD1-CD2 4.46Å; L1054-L1085 HydrophobicContact CD2-CD2 4.11Å; L1058-L1085 HydrophobicContact CD1-CD1 3.9Å; L1058-L1085 HydrophobicContact CD2-CD1 4.12Å; L1058-L1085 HydrophobicContact CG-CD1 4.2Å; W1069-L1085 HydrophobicContact CH2-CD2 3.77Å; W1069-L1085 HydrophobicContact CZ2-CD2 3.69Å; F1082-L1085 WeakPolarHBondContact O-CB 3.43Å; F1082-L1085 PolarHBondContact O-N 3.49Å; F1082-L1085 VanDerWaalsContact O-N 3.08Å; L1083-L1085 VanDerWaalsContact C-N 3.29Å; L1083-L1085 PolarHBondContact O-N 3.33Å; L1085-H1087 PolarHBondContact O-N 3.09Å; L1085-H1087 VanDerWaalsContact O-N 3.16Å; L1085-S1088 PolarHBondContact O-N 3.42Å; L1085-V1089 HydrophobicContact CD1-CG2 3.88Å; L1085-V1089 HydrophobicContact CD2-CG2 4.49Å; L1085-V1089 HydrophobicContact CG-CG2 3.7Å; L1085-V1089 VanDerWaalsContact O-CB 3.29Å; L1085-V1089 WeakPolarHBondContact O-CB 3.43Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.47Å; L1085-V1089 PolarHBondContact O-N 3.06Å; L1085-L1101 HydrophobicContact CD2-CD1 4.38Å; L1085-L1101 HydrophobicContact CG-CD1 4.41Å |
| 1086 | I | 87.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -20.8 | 172.7 | -63.4 | 175.3 | 0 | 0 | 0 | 111.6 | F1082 L1083 P1084 L1101 L1105 L1114 A1117 L1118 R1121 | F1082-I1086 PolarHBondContact O-N 3.04Å; L1083-I1086 HydrophobicContact CD2-CD1 4.45Å; L1083-I1086 PolarHBondContact O-N 2.64Å; P1084-I1086 VanDerWaalsContact C-N 3.32Å; P1084-I1086 PolarHBondContact O-N 3.02Å; I1086-L1101 HydrophobicContact CG1-CD1 4.45Å; I1086-L1101 HydrophobicContact CG1-CD2 4.3Å; I1086-L1105 HydrophobicContact CD1-CD2 4.28Å; I1086-L1114 HydrophobicContact CD1-CD2 4.08Å; I1086-A1117 HydrophobicContact CB-CB 4.28Å; I1086-A1117 HydrophobicContact CG2-CB 3.77Å; I1086-L1118 HydrophobicContact CG2-CD2 4Å; I1086-L1118 HydrophobicContact CG2-CG 4.43Å; I1086-R1121 WeakPolarHBondContact O-CD 3.4Å; I1086-R1121 PolarHBondContact O-NH1 3.49Å |
| 1087 | H | 83.7 | Confident | 86.7 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -92.1 | -33.4 | 176.7 | -60.8 | 86.1 | 0 | 0 | 0 | 113.3 | L1083 P1084 L1085 | L1083-H1087 PolarHBondContact O-ND1 3.26Å; P1084-H1087 WeakPolarHBondContact O-CB 3.3Å; P1084-H1087 PolarHBondContact O-N 2.81Å; L1085-H1087 PolarHBondContact O-N 3.09Å; L1085-H1087 VanDerWaalsContact O-N 3.16Å |
| 1088 | S | 83.3 | Confident | 86.9 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -88.3 | -20.2 | -178.6 | 57.4 | 0 | 0 | 0 | 0 | 115 | N1055 P1084 L1085 | N1055-S1088 PolarHBondContact OD1-OG 3.05Å; P1084-S1088 PolarHBondContact O-N 3Å; L1085-S1088 PolarHBondContact O-N 3.42Å |
| 1089 | V | 87.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | trans | -76.4 | 137.8 | -176 | 159.5 | 0 | 0 | 0 | 0 | 113.8 | L1058 L1085 H1094 A1097 C1098 L1101 R1121 L1128 | L1058-V1089 HydrophobicContact CD1-CG2 4.18Å; L1058-V1089 HydrophobicContact CD2-CG2 3.77Å; L1085-V1089 HydrophobicContact CD1-CG2 3.88Å; L1085-V1089 HydrophobicContact CD2-CG2 4.49Å; L1085-V1089 HydrophobicContact CG-CG2 3.7Å; L1085-V1089 VanDerWaalsContact O-CB 3.29Å; L1085-V1089 WeakPolarHBondContact O-CB 3.43Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.47Å; L1085-V1089 PolarHBondContact O-N 3.06Å; V1089-H1094 HydrophobicContact CG1-CB 4.39Å; V1089-A1097 HydrophobicContact CG2-CB 3.97Å; V1089-C1098 HydrophobicContact CG1-CB 4.46Å; V1089-C1098 WeakPolarHBondContact CG1-SG 3.21Å; V1089-L1101 HydrophobicContact CB-CD1 4.42Å; V1089-L1101 HydrophobicContact CG1-CD1 4.36Å; V1089-L1101 HydrophobicContact CG2-CD1 4.24Å; V1089-R1121 VanDerWaalsContact O-CZ 3.25Å; V1089-R1121 PolarHBondContact O-NH1 2.91Å; V1089-R1121 PolarHBondContact O-NH2 3.4Å; V1089-L1128 HydrophobicContact CG1-CD2 4.42Å | ||
| 1090 | D | 85.1 | Confident | 87.5 | Confident | 67 Ų | 67 | 51 Ų | 51 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -116.7 | 127 | 174.7 | 174.8 | -54.2 | 0 | 0 | 0 | 109 | F1092 K1093 H1094 | D1090-F1092 PolarHBondContact O-N 3.28Å; D1090-F1092 WeakPolarHBondContact OD1-CA 3.37Å; D1090-F1092 WeakPolarHBondContact OD1-CB 3.17Å; D1090-F1092 PolarHBondContact OD1-N 2.75Å; D1090-K1093 HydrophobicContact CB-CB 4.13Å; D1090-K1093 HydrophobicContact CB-CD 4.38Å; D1090-K1093 HydrophobicContact CB-CG 4.3Å; D1090-K1093 PolarHBondContact O-N 2.9Å; D1090-K1093 PolarHBondContact OD1-N 3.37Å; D1090-H1094 PolarHBondContact N-ND1 2.81Å; D1090-H1094 PolarHBondContact O-N 2.64Å | ||
| 1091 | S | 84 | Confident | 87.9 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15 | -175.1 | -65.2 | 0 | 0 | 0 | 0 | 115.2 | C1098 D1126 | S1091-C1098 VanDerWaalsContact CA-SG 3.55Å; S1091-C1098 PolarHBondContact OG-SG 2.92Å; S1091-D1126 VanDerWaalsContact CB-OD1 3.23Å; S1091-D1126 WeakPolarHBondContact CB-OD1 3.27Å; S1091-D1126 PolarHBondContact OG-OD1 2.79Å |
| 1092 | F | 84 | Confident | 88.2 | Confident | 194 Ų | 194 | 45.4 Ų | 45.4 | 85% | 0.851 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -34.9 | 174.9 | -170.2 | -94.8 | 0 | 0 | 0 | 111.6 | D1090 | D1090-F1092 PolarHBondContact O-N 3.28Å; D1090-F1092 WeakPolarHBondContact OD1-CA 3.37Å; D1090-F1092 WeakPolarHBondContact OD1-CB 3.17Å; D1090-F1092 PolarHBondContact OD1-N 2.75Å |
| 1093 | K | 87.2 | Confident | 88.3 | Confident | 146 Ų | 146 | 50.3 Ų | 50.3 | 64% | 0.635 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -37.7 | 179 | -62.5 | -176.2 | 178.2 | -177.4 | 0 | 114.3 | D1090 P1095 | D1090-K1093 HydrophobicContact CB-CB 4.13Å; D1090-K1093 HydrophobicContact CB-CD 4.38Å; D1090-K1093 HydrophobicContact CB-CG 4.3Å; D1090-K1093 PolarHBondContact O-N 2.9Å; D1090-K1093 PolarHBondContact OD1-N 3.37Å; K1093-P1095 VanDerWaalsContact O-CD 3.31Å; K1093-P1095 WeakPolarHBondContact O-CD 3.43Å |
| 1094 | H | 90.6 | Very high | 88.5 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 15% | 0.148 | 26% | 0.262 | C | S | . | . | trans | -122.4 | 57.2 | -170.8 | -41.4 | 144.1 | 0 | 0 | 0 | 111.6 | L1058 V1089 D1090 E1096 A1097 C1098 | L1058-H1094 HydrophobicContact CD2-CB 4.04Å; V1089-H1094 HydrophobicContact CG1-CB 4.39Å; D1090-H1094 PolarHBondContact N-ND1 2.81Å; D1090-H1094 PolarHBondContact O-N 2.64Å; H1094-E1096 VanDerWaalsContact C-N 3.29Å; H1094-E1096 PolarHBondContact O-N 2.98Å; H1094-A1097 HydrophobicContact CB-CB 4.1Å; H1094-A1097 PolarHBondContact O-N 2.95Å; H1094-C1098 PolarHBondContact O-N 3.34Å | ||
| 1095 | P | 91.1 | Very high | 88.8 | Confident | 55 Ų | 55 | 47 Ų | 47 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -28.8 | -172.7 | 26.8 | -33.5 | 0 | 0 | 0 | 113.4 | K1093 S1099 | K1093-P1095 VanDerWaalsContact O-CD 3.31Å; K1093-P1095 WeakPolarHBondContact O-CD 3.43Å; P1095-S1099 VanDerWaalsContact O-CB 3.27Å; P1095-S1099 WeakPolarHBondContact O-CB 3.41Å; P1095-S1099 PolarHBondContact O-N 2.79Å; P1095-S1099 PolarHBondContact O-OG 3.39Å |
| 1096 | E | 92.3 | Very high | 88.9 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 173.7 | -64.9 | 78.1 | -177.3 | 0 | 0 | 111.1 | S1062 Q1065 H1094 S1099 N1100 | S1062-E1096 WeakPolarHBondContact CB-OE1 3.23Å; S1062-E1096 PolarHBondContact OG-OE1 3.15Å; Q1065-E1096 HydrophobicContact CB-CB 4.05Å; Q1065-E1096 HydrophobicContact CB-CG 4.24Å; H1094-E1096 VanDerWaalsContact C-N 3.29Å; H1094-E1096 PolarHBondContact O-N 2.98Å; E1096-S1099 PolarHBondContact O-N 3.02Å; E1096-N1100 PolarHBondContact O-N 3.24Å; E1096-N1100 VanDerWaalsContact O-N 3.08Å; E1096-N1100 PolarHBondContact O-ND2 3.1Å |
| 1097 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1058 W1069 V1089 H1094 S1099 N1100 L1101 | L1058-A1097 HydrophobicContact CD2-CB 3.74Å; W1069-A1097 HydrophobicContact CZ2-CB 4Å; V1089-A1097 HydrophobicContact CG2-CB 3.97Å; H1094-A1097 HydrophobicContact CB-CB 4.1Å; H1094-A1097 PolarHBondContact O-N 2.95Å; A1097-S1099 VanDerWaalsContact C-N 3.35Å; A1097-S1099 PolarHBondContact O-N 2.85Å; A1097-N1100 PolarHBondContact O-N 3.09Å; A1097-L1101 WeakPolarHBondContact O-CB 3.5Å; A1097-L1101 VanDerWaalsContact O-CG 3.28Å; A1097-L1101 WeakPolarHBondContact O-CG 3.4Å; A1097-L1101 PolarHBondContact O-N 2.97Å |
| 1098 | C | 91.5 | Very high | 89 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.1 | -90.1 | 0 | 0 | 0 | 0 | 112.8 | V1089 S1091 H1094 N1100 L1101 I1102 | V1089-C1098 HydrophobicContact CG1-CB 4.46Å; V1089-C1098 WeakPolarHBondContact CG1-SG 3.21Å; S1091-C1098 VanDerWaalsContact CA-SG 3.55Å; S1091-C1098 PolarHBondContact OG-SG 2.92Å; H1094-C1098 PolarHBondContact O-N 3.34Å; C1098-N1100 PolarHBondContact O-N 3.14Å; C1098-L1101 PolarHBondContact O-N 2.87Å; C1098-I1102 VanDerWaalsContact O-CG1 3.28Å; C1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; C1098-I1102 PolarHBondContact O-N 3.18Å |
| 1099 | S | 91.2 | Very high | 89.3 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | P1095 E1096 A1097 L1103 | P1095-S1099 VanDerWaalsContact O-CB 3.27Å; P1095-S1099 WeakPolarHBondContact O-CB 3.41Å; P1095-S1099 PolarHBondContact O-N 2.79Å; P1095-S1099 PolarHBondContact O-OG 3.39Å; E1096-S1099 PolarHBondContact O-N 3.02Å; A1097-S1099 VanDerWaalsContact C-N 3.35Å; A1097-S1099 PolarHBondContact O-N 2.85Å; S1099-L1103 VanDerWaalsContact O-CG 3.31Å; S1099-L1103 WeakPolarHBondContact O-CG 3.4Å; S1099-L1103 PolarHBondContact O-N 2.72Å; S1099-L1103 VanDerWaalsContact O-N 3.13Å |
| 1100 | N | 92.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.2 | -41.6 | 176.7 | -75.8 | -80.7 | 0 | 0 | 0 | 112.1 | W1069 N1073 E1096 A1097 C1098 I1102 L1103 L1104 | W1069-N1100 HydrophobicContact CB-CB 4.38Å; W1069-N1100 WeakPolarHBondContact CB-ND2 3.24Å; W1069-N1100 HydrophobicContact CD2-CB 3.53Å; W1069-N1100 HydrophobicContact CE3-CB 3.47Å; W1069-N1100 VanDerWaalsContact CE3-CB 3.47Å; W1069-N1100 HydrophobicContact CG-CB 3.94Å; W1069-N1100 HydrophobicContact CH2-CB 4.45Å; W1069-N1100 HydrophobicContact CZ3-CB 3.96Å; N1073-N1100 PolarHBondContact ND2-OD1 2.81Å; N1073-N1100 VanDerWaalsContact ND2-OD1 3.14Å; E1096-N1100 PolarHBondContact O-N 3.24Å; E1096-N1100 VanDerWaalsContact O-N 3.08Å; E1096-N1100 PolarHBondContact O-ND2 3.1Å; A1097-N1100 PolarHBondContact O-N 3.09Å; C1098-N1100 PolarHBondContact O-N 3.14Å; N1100-I1102 PolarHBondContact O-N 3Å; N1100-L1103 PolarHBondContact O-N 3.07Å; N1100-L1104 VanDerWaalsContact O-CB 3.27Å; N1100-L1104 WeakPolarHBondContact O-CB 3.31Å; N1100-L1104 PolarHBondContact O-N 2.94Å |
| 1101 | L | 92.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.2 | -73.2 | 171.4 | 0 | 0 | 0 | 112.1 | W1069 F1082 L1085 I1086 V1089 A1097 C1098 L1103 L1104 L1105 L1128 | W1069-L1101 HydrophobicContact CH2-CD2 4.36Å; W1069-L1101 HydrophobicContact CH2-CG 4.4Å; F1082-L1101 HydrophobicContact CB-CD2 4.03Å; L1085-L1101 HydrophobicContact CD2-CD1 4.38Å; L1085-L1101 HydrophobicContact CG-CD1 4.41Å; I1086-L1101 HydrophobicContact CG1-CD1 4.45Å; I1086-L1101 HydrophobicContact CG1-CD2 4.3Å; V1089-L1101 HydrophobicContact CB-CD1 4.42Å; V1089-L1101 HydrophobicContact CG1-CD1 4.36Å; V1089-L1101 HydrophobicContact CG2-CD1 4.24Å; A1097-L1101 WeakPolarHBondContact O-CB 3.5Å; A1097-L1101 VanDerWaalsContact O-CG 3.28Å; A1097-L1101 WeakPolarHBondContact O-CG 3.4Å; A1097-L1101 PolarHBondContact O-N 2.97Å; C1098-L1101 PolarHBondContact O-N 2.87Å; L1101-L1103 PolarHBondContact O-N 2.67Å; L1101-L1104 PolarHBondContact O-N 3.37Å; L1101-L1105 VanDerWaalsContact O-CB 3.25Å; L1101-L1105 WeakPolarHBondContact O-CB 3.21Å; L1101-L1105 WeakPolarHBondContact O-CD1 3.44Å; L1101-L1105 WeakPolarHBondContact O-CG 3.46Å; L1101-L1105 PolarHBondContact O-N 3.21Å; L1101-L1128 HydrophobicContact CB-CD1 3.9Å; L1101-L1128 HydrophobicContact CD1-CD2 4.15Å |
| 1102 | I | 91.2 | Very high | 89.9 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 174.8 | -69.2 | 167.3 | 0 | 0 | 0 | 111.1 | C1098 N1100 K1106 L1128 T1131 | C1098-I1102 VanDerWaalsContact O-CG1 3.28Å; C1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; C1098-I1102 PolarHBondContact O-N 3.18Å; N1100-I1102 PolarHBondContact O-N 3Å; I1102-K1106 VanDerWaalsContact O-CB 3.28Å; I1102-K1106 WeakPolarHBondContact O-CB 3.4Å; I1102-K1106 PolarHBondContact O-N 3.01Å; I1102-K1106 VanDerWaalsContact O-N 3.09Å; I1102-L1128 HydrophobicContact CG1-CD1 3.67Å; I1102-T1131 HydrophobicContact CG2-CG2 4.05Å |
| 1103 | L | 91.2 | Very high | 90.2 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 55% | 0.55 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 178.3 | -71.8 | 171.9 | 0 | 0 | 0 | 112.7 | S1099 N1100 L1101 | S1099-L1103 VanDerWaalsContact O-CG 3.31Å; S1099-L1103 WeakPolarHBondContact O-CG 3.4Å; S1099-L1103 PolarHBondContact O-N 2.72Å; S1099-L1103 VanDerWaalsContact O-N 3.13Å; N1100-L1103 PolarHBondContact O-N 3.07Å; L1101-L1103 PolarHBondContact O-N 2.67Å |
| 1104 | L | 89.4 | Confident | 90.3 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.8 | -47 | 178.8 | -171.1 | 153.6 | 0 | 0 | 0 | 111.2 | T1079 F1082 N1100 L1101 K1106 L1107 | T1079-L1104 HydrophobicContact CG2-CD2 3.35Å; F1082-L1104 HydrophobicContact CD2-CD1 4.06Å; F1082-L1104 HydrophobicContact CE2-CD1 3.83Å; F1082-L1104 HydrophobicContact CZ-CD1 4.16Å; N1100-L1104 VanDerWaalsContact O-CB 3.27Å; N1100-L1104 WeakPolarHBondContact O-CB 3.31Å; N1100-L1104 PolarHBondContact O-N 2.94Å; L1101-L1104 PolarHBondContact O-N 3.37Å; L1104-K1106 PolarHBondContact O-N 3.07Å; L1104-L1107 WeakPolarHBondContact O-CB 3.16Å; L1104-L1107 PolarHBondContact O-N 2.74Å |
| 1105 | L | 89.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -33.5 | 174.3 | -73 | 167.5 | 0 | 0 | 0 | 112.7 | I1086 L1101 L1107 E1108 L1114 L1118 L1128 A1132 W1136 | I1086-L1105 HydrophobicContact CD1-CD2 4.28Å; L1101-L1105 VanDerWaalsContact O-CB 3.25Å; L1101-L1105 WeakPolarHBondContact O-CB 3.21Å; L1101-L1105 WeakPolarHBondContact O-CD1 3.44Å; L1101-L1105 WeakPolarHBondContact O-CG 3.46Å; L1101-L1105 PolarHBondContact O-N 3.21Å; L1105-L1107 PolarHBondContact O-N 2.59Å; L1105-E1108 PolarHBondContact O-N 2.83Å; L1105-E1108 VanDerWaalsContact O-N 3.12Å; L1105-L1114 HydrophobicContact CD2-CD1 4.47Å; L1105-L1114 HydrophobicContact CD2-CD2 3.8Å; L1105-L1118 HydrophobicContact CD1-CD1 4.34Å; L1105-L1118 HydrophobicContact CD1-CD2 4.04Å; L1105-L1128 HydrophobicContact CD1-CD1 3.73Å; L1105-A1132 HydrophobicContact CD1-CB 3.99Å; L1105-W1136 HydrophobicContact CD2-CH2 4.15Å |
| 1106 | K | 89.3 | Confident | 90.2 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.3 | 176.1 | 179.6 | 179.6 | 178.9 | 178.3 | 0 | 113.7 | I1102 L1104 F1135 | I1102-K1106 VanDerWaalsContact O-CB 3.28Å; I1102-K1106 WeakPolarHBondContact O-CB 3.4Å; I1102-K1106 PolarHBondContact O-N 3.01Å; I1102-K1106 VanDerWaalsContact O-N 3.09Å; L1104-K1106 PolarHBondContact O-N 3.07Å; K1106-F1135 HydrophobicContact CB-CE1 4.26Å; K1106-F1135 HydrophobicContact CG-CD1 4.39Å; K1106-F1135 HydrophobicContact CG-CE1 3.85Å; K1106-F1135 HydrophobicContact CG-CE2 4.22Å; K1106-F1135 HydrophobicContact CG-CZ 3.75Å; K1106-F1135 WeakPolarHBondContact O-CE1 3.11Å |
| 1107 | L | 87.9 | Confident | 90.1 | Very high | 155 Ų | 155 | 46.6 Ų | 46.6 | 81% | 0.812 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -16.9 | 175.5 | -60.7 | 176.4 | 0 | 0 | 0 | 112.4 | L1104 L1105 | L1104-L1107 WeakPolarHBondContact O-CB 3.16Å; L1104-L1107 PolarHBondContact O-N 2.74Å; L1105-L1107 PolarHBondContact O-N 2.59Å |
| 1108 | E | 86.8 | Confident | 89.9 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -92.9 | 157.5 | -178 | -85.2 | -67.2 | -176.5 | 0 | 0 | 114.7 | T1079 L1105 L1114 W1136 | T1079-E1108 HydrophobicContact CG2-CG 3.9Å; T1079-E1108 VanDerWaalsContact OG1-CG 3.23Å; T1079-E1108 WeakPolarHBondContact OG1-CG 3.11Å; T1079-E1108 PolarHBondContact OG1-OE1 3.16Å; L1105-E1108 PolarHBondContact O-N 2.83Å; L1105-E1108 VanDerWaalsContact O-N 3.12Å; E1108-L1114 HydrophobicContact CB-CD1 4.33Å; E1108-W1136 PolarHBondContact O-NE1 2.93Å |
| 1109 | K | 89.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 46.5 Ų | 46.5 | 44% | 0.443 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -84.4 | 145.3 | 166.9 | 70.1 | -159.1 | 172.5 | -107.3 | 0 | 109.6 | S1111 | K1109-S1111 PolarHBondContact O-N 3.43Š|
| 1110 | P | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 126.9 | 174.6 | 23.7 | -32.6 | 0 | 0 | 0 | 110.4 | V1115 W1136 H1143 R1146 F1147 I1150 | P1110-V1115 HydrophobicContact CB-CG2 3.88Å; P1110-W1136 HydrophobicContact CB-CD2 3.83Å; P1110-W1136 HydrophobicContact CB-CE3 3.86Å; P1110-W1136 HydrophobicContact CB-CG 4.25Å; P1110-W1136 HydrophobicContact CB-CZ3 4.22Å; P1110-W1136 HydrophobicContact CG-CD2 4.34Å; P1110-W1136 HydrophobicContact CG-CG 4.28Å; P1110-H1143 HydrophobicContact CG-CB 3.95Å; P1110-R1146 HydrophobicContact CG-CG 4.18Å; P1110-R1146 VanDerWaalsContact O-CZ 3.25Å; P1110-R1146 PolarHBondContact O-NE 3.49Å; P1110-R1146 PolarHBondContact O-NH2 3.01Å; P1110-F1147 HydrophobicContact CB-CB 4.39Å; P1110-F1147 HydrophobicContact CB-CD2 4.25Å; P1110-F1147 HydrophobicContact CG-CB 4.12Å; P1110-I1150 HydrophobicContact CB-CD1 4.15Å; P1110-I1150 WeakPolarHBondContact O-CD1 3.31Å |
| 1111 | S | 89.7 | Confident | 89.2 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | trans | -114 | 160.6 | 169.6 | 73.7 | 0 | 0 | 0 | 0 | 109.5 | K1109 E1113 L1114 V1115 | K1109-S1111 PolarHBondContact O-N 3.43Å; S1111-E1113 VanDerWaalsContact C-N 3.26Å; S1111-E1113 PolarHBondContact O-N 2.83Å; S1111-L1114 PolarHBondContact O-N 3.03Å; S1111-L1114 WeakPolarHBondContact OG-CB 3.49Å; S1111-L1114 WeakPolarHBondContact OG-CG 3.49Å; S1111-L1114 PolarHBondContact OG-N 3.21Å; S1111-V1115 WeakPolarHBondContact O-CB 3.48Å; S1111-V1115 VanDerWaalsContact O-CG2 3.31Å; S1111-V1115 WeakPolarHBondContact O-CG2 3.31Å; S1111-V1115 PolarHBondContact O-N 3.29Å | ||
| 1112 | F | 89.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 174.1 | -82.9 | -86 | 0 | 0 | 0 | 111.2 | R1116 I1150 F1154 | F1112-R1116 WeakPolarHBondContact O-CB 3.43Å; F1112-R1116 PolarHBondContact O-N 3.19Å; F1112-I1150 HydrophobicContact CD1-CG2 3.9Å; F1112-I1150 HydrophobicContact CD2-CG1 4.19Å; F1112-I1150 HydrophobicContact CE1-CB 4.4Å; F1112-I1150 HydrophobicContact CE1-CG1 4.39Å; F1112-I1150 HydrophobicContact CE1-CG2 4Å; F1112-I1150 HydrophobicContact CE2-CG1 3.89Å; F1112-I1150 HydrophobicContact CG-CG2 4.25Å; F1112-I1150 HydrophobicContact CZ-CB 4.41Å; F1112-I1150 HydrophobicContact CZ-CG1 3.99Å; F1112-I1150 HydrophobicContact CZ-CG2 4.44Å; F1112-F1154 HydrophobicContact CB-CZ 4.5Å; F1112-F1154 AromaticContact CD1-CE2 3.77Å; F1112-F1154 HydrophobicContact CD1-CE2 3.77Å; F1112-F1154 AromaticContact CD1-CZ 3.75Å; F1112-F1154 HydrophobicContact CD1-CZ 3.75Å; F1112-F1154 HydrophobicContact CE1-CE2 4.37Å |
| 1113 | E | 89 | Confident | 87.3 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61 | -48.7 | 176.8 | -67.1 | 152 | -144.7 | 0 | 0 | 113.2 | L1083 S1111 R1116 A1117 | L1083-E1113 HydrophobicContact CD1-CB 4.08Å; L1083-E1113 HydrophobicContact CD2-CB 4.33Å; S1111-E1113 VanDerWaalsContact C-N 3.26Å; S1111-E1113 PolarHBondContact O-N 2.83Å; E1113-R1116 PolarHBondContact O-N 2.86Å; E1113-A1117 WeakPolarHBondContact O-CB 3.49Å; E1113-A1117 PolarHBondContact O-N 3.32Å |
| 1114 | L | 90.2 | Very high | 85.9 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.9 | -42.7 | -177.6 | -69.1 | 167 | 0 | 0 | 0 | 111.7 | T1079 L1083 I1086 L1105 E1108 S1111 R1116 A1117 L1118 W1136 | T1079-L1114 HydrophobicContact CG2-CD1 4.18Å; T1079-L1114 HydrophobicContact CG2-CD2 3.91Å; L1083-L1114 HydrophobicContact CD2-CD2 3.55Å; L1083-L1114 HydrophobicContact CD2-CG 4.21Å; L1083-L1114 HydrophobicContact CG-CD2 4.4Å; I1086-L1114 HydrophobicContact CD1-CD2 4.08Å; L1105-L1114 HydrophobicContact CD2-CD1 4.47Å; L1105-L1114 HydrophobicContact CD2-CD2 3.8Å; E1108-L1114 HydrophobicContact CB-CD1 4.33Å; S1111-L1114 PolarHBondContact O-N 3.03Å; S1111-L1114 WeakPolarHBondContact OG-CB 3.49Å; S1111-L1114 WeakPolarHBondContact OG-CG 3.49Å; S1111-L1114 PolarHBondContact OG-N 3.21Å; L1114-R1116 VanDerWaalsContact C-N 3.35Å; L1114-A1117 PolarHBondContact O-N 3.33Å; L1114-L1118 VanDerWaalsContact O-CG 3.31Å; L1114-L1118 WeakPolarHBondContact O-CG 3.41Å; L1114-L1118 PolarHBondContact O-N 2.75Å; L1114-L1118 VanDerWaalsContact O-N 3.07Å; L1114-W1136 HydrophobicContact CB-CH2 4.01Å; L1114-W1136 HydrophobicContact CD1-CH2 4.46Å |
| 1115 | V | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | P1110 S1111 L1118 L1119 L1133 W1136 F1147 I1150 F1154 | P1110-V1115 HydrophobicContact CB-CG2 3.88Å; S1111-V1115 WeakPolarHBondContact O-CB 3.48Å; S1111-V1115 VanDerWaalsContact O-CG2 3.31Å; S1111-V1115 WeakPolarHBondContact O-CG2 3.31Å; S1111-V1115 PolarHBondContact O-N 3.29Å; V1115-L1118 PolarHBondContact O-N 3.41Å; V1115-L1119 HydrophobicContact CG1-CD1 3.68Å; V1115-L1119 HydrophobicContact CG1-CG 4.28Å; V1115-L1119 WeakPolarHBondContact O-CB 3.45Å; V1115-L1119 VanDerWaalsContact O-CG 3.24Å; V1115-L1119 WeakPolarHBondContact O-CG 3.34Å; V1115-L1119 PolarHBondContact O-N 3Å; V1115-L1133 HydrophobicContact CG1-CD2 4.43Å; V1115-W1136 HydrophobicContact CG2-CE3 4.15Å; V1115-W1136 HydrophobicContact CG2-CZ3 3.87Å; V1115-F1147 HydrophobicContact CG1-CD2 4.49Å; V1115-F1147 HydrophobicContact CG1-CE2 3.93Å; V1115-F1147 HydrophobicContact CG2-CD2 3.85Å; V1115-F1147 HydrophobicContact CG2-CE2 3.88Å; V1115-I1150 HydrophobicContact CB-CG2 3.95Å; V1115-I1150 HydrophobicContact CG1-CG2 3.95Å; V1115-I1150 HydrophobicContact CG2-CG2 4.11Å; V1115-F1154 HydrophobicContact CB-CE2 4.4Å; V1115-F1154 HydrophobicContact CG1-CD2 4.3Å; V1115-F1154 HydrophobicContact CG1-CE2 4.08Å |
| 1116 | R | 89.6 | Confident | 84.3 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 171.9 | 177.4 | 175.3 | 174.1 | -168.4 | 3.1 | 111.9 | F1112 E1113 L1114 L1118 L1119 S1120 F1154 E1194 D1195 V1197 | F1112-R1116 WeakPolarHBondContact O-CB 3.43Å; F1112-R1116 PolarHBondContact O-N 3.19Å; E1113-R1116 PolarHBondContact O-N 2.86Å; L1114-R1116 VanDerWaalsContact C-N 3.35Å; R1116-L1118 VanDerWaalsContact C-N 3.27Å; R1116-L1118 PolarHBondContact O-N 3.42Å; R1116-L1119 PolarHBondContact O-N 2.72Å; R1116-L1119 VanDerWaalsContact O-N 3.17Å; R1116-S1120 WeakPolarHBondContact O-CB 3.45Å; R1116-S1120 PolarHBondContact O-N 2.83Å; R1116-S1120 PolarHBondContact O-OG 3.23Å; R1116-F1154 HydrophobicContact CB-CE1 4.38Å; R1116-F1154 HydrophobicContact CB-CZ 3.84Å; R1116-E1194 PolarHBondContact NH2-O 2.93Å; R1116-D1195 IonicContact CZ-OD1 2.83Å; R1116-D1195 IonicContact NH1-OD1 3.05Å; R1116-D1195 PolarHBondContact NH1-OD1 3.45Å; R1116-V1197 HydrophobicContact CB-CG2 4.45Å; R1116-V1197 HydrophobicContact CG-CG2 3.79Å |
| 1117 | A | 88.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -40.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1083 I1086 E1113 L1114 | L1083-A1117 HydrophobicContact CD2-CB 4.05Å; I1086-A1117 HydrophobicContact CB-CB 4.28Å; I1086-A1117 HydrophobicContact CG2-CB 3.77Å; E1113-A1117 WeakPolarHBondContact O-CB 3.49Å; E1113-A1117 PolarHBondContact O-N 3.32Å; L1114-A1117 PolarHBondContact O-N 3.33Å |
| 1118 | L | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.1 | -37.2 | 177 | -65.6 | 165.5 | 0 | 0 | 0 | 113.1 | I1086 L1105 L1114 V1115 R1116 L1128 S1129 A1132 L1133 W1136 | I1086-L1118 HydrophobicContact CG2-CD2 4Å; I1086-L1118 HydrophobicContact CG2-CG 4.43Å; L1105-L1118 HydrophobicContact CD1-CD1 4.34Å; L1105-L1118 HydrophobicContact CD1-CD2 4.04Å; L1114-L1118 VanDerWaalsContact O-CG 3.31Å; L1114-L1118 WeakPolarHBondContact O-CG 3.41Å; L1114-L1118 PolarHBondContact O-N 2.75Å; L1114-L1118 VanDerWaalsContact O-N 3.07Å; V1115-L1118 PolarHBondContact O-N 3.41Å; R1116-L1118 VanDerWaalsContact C-N 3.27Å; R1116-L1118 PolarHBondContact O-N 3.42Å; L1118-L1128 HydrophobicContact CD2-CD1 4.41Å; L1118-L1128 HydrophobicContact CD2-CG 4.13Å; L1118-S1129 PolarHBondContact O-OG 2.85Å; L1118-A1132 HydrophobicContact CD1-CB 3.68Å; L1118-A1132 HydrophobicContact CD2-CB 4.26Å; L1118-L1133 HydrophobicContact CB-CD1 4.47Å; L1118-L1133 HydrophobicContact CB-CD2 4.12Å; L1118-L1133 HydrophobicContact CB-CG 4.28Å; L1118-L1133 HydrophobicContact CD1-CD2 4.28Å; L1118-W1136 HydrophobicContact CD1-CH2 4.17Å; L1118-W1136 HydrophobicContact CD1-CZ3 3.73Å |
| 1119 | L | 87.7 | Confident | 84.3 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.9 | -28.6 | 175.8 | -69.9 | 172.8 | 0 | 0 | 0 | 112.8 | V1115 R1116 R1121 L1133 L1151 F1154 V1197 L1201 H1205 | V1115-L1119 HydrophobicContact CG1-CD1 3.68Å; V1115-L1119 HydrophobicContact CG1-CG 4.28Å; V1115-L1119 WeakPolarHBondContact O-CB 3.45Å; V1115-L1119 VanDerWaalsContact O-CG 3.24Å; V1115-L1119 WeakPolarHBondContact O-CG 3.34Å; V1115-L1119 PolarHBondContact O-N 3Å; R1116-L1119 PolarHBondContact O-N 2.72Å; R1116-L1119 VanDerWaalsContact O-N 3.17Å; L1119-R1121 PolarHBondContact O-N 2.95Å; L1119-L1133 HydrophobicContact CD2-CD1 3.79Å; L1119-L1133 HydrophobicContact CG-CD1 4.43Å; L1119-L1151 HydrophobicContact CD1-CD1 3.89Å; L1119-F1154 HydrophobicContact CD1-CD2 4.38Å; L1119-V1197 HydrophobicContact CB-CG1 4.19Å; L1119-V1197 HydrophobicContact CB-CG2 4.37Å; L1119-L1201 WeakPolarHBondContact O-CD2 3.37Å; L1119-L1201 VanDerWaalsContact O-CG 3.28Å; L1119-L1201 WeakPolarHBondContact O-CG 3.36Å; L1119-H1205 HydrophobicContact CD2-CB 3.68Å; L1119-H1205 PolarHBondContact O-CD2 3.27Å; L1119-H1205 VanDerWaalsContact O-CD2 3.23Å; L1119-H1205 PolarHBondContact O-NE2 2.97Å; L1119-H1205 VanDerWaalsContact O-NE2 3.08Å |
| 1120 | S | 86.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14 | 175.7 | -69.7 | 0 | 0 | 0 | 0 | 113.8 | R1116 R1122 | R1116-S1120 WeakPolarHBondContact O-CB 3.45Å; R1116-S1120 PolarHBondContact O-N 2.83Å; R1116-S1120 PolarHBondContact O-OG 3.23Å; S1120-R1122 PolarHBondContact O-N 3.18Å |
| 1121 | R | 85.2 | Confident | 84.2 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | trans | -69.2 | 120.1 | 177.7 | -69.3 | 174.1 | 62.2 | 72.5 | -1.6 | 109.8 | I1086 V1089 L1119 N1123 D1126 S1129 H1205 | I1086-R1121 WeakPolarHBondContact O-CD 3.4Å; I1086-R1121 PolarHBondContact O-NH1 3.49Å; V1089-R1121 VanDerWaalsContact O-CZ 3.25Å; V1089-R1121 PolarHBondContact O-NH1 2.91Å; V1089-R1121 PolarHBondContact O-NH2 3.4Å; L1119-R1121 PolarHBondContact O-N 2.95Å; R1121-N1123 VanDerWaalsContact C-N 3.27Å; R1121-N1123 PolarHBondContact O-N 2.96Å; R1121-D1126 IonicContact CZ-OD2 2.66Å; R1121-D1126 IonicContact NE-OD2 2.75Å; R1121-D1126 PolarHBondContact NE-OD2 3.48Å; R1121-D1126 IonicContact NH2-OD1 3.49Å; R1121-D1126 PolarHBondContact NH2-OD1 2.98Å; R1121-D1126 IonicContact NH2-OD2 2.73Å; R1121-D1126 PolarHBondContact NH2-OD2 3.18Å; R1121-S1129 VanDerWaalsContact CD-OG 3.29Å; R1121-S1129 WeakPolarHBondContact CD-OG 3.12Å; R1121-H1205 PolarHBondContact O-CE1 3.21Å; R1121-H1205 PolarHBondContact O-NE2 3.27Å | ||
| 1122 | R | 73.5 | Confident | 84.1 | Confident | 237 Ų | 237 | 48.3 Ų | 48.3 | 89% | 0.894 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -64.1 | -23.6 | -172.1 | -66.4 | -176.9 | -179.5 | 176 | 0.9 | 114.8 | S1120 | S1120-R1122 PolarHBondContact O-N 3.18Š|
| 1123 | N | 71 | Confident | 84.1 | Confident | 99 Ų | 99 | 44.5 Ų | 44.5 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | trans | -94.6 | 105 | 179.3 | -177.7 | 2.8 | 0 | 0 | 0 | 109.9 | R1121 N1125 D1126 | R1121-N1123 VanDerWaalsContact C-N 3.27Å; R1121-N1123 PolarHBondContact O-N 2.96Å; N1123-N1125 VanDerWaalsContact C-N 3.26Å; N1123-N1125 PolarHBondContact O-N 2.89Å; N1123-N1125 PolarHBondContact OD1-N 2.82Å; N1123-N1125 VanDerWaalsContact OD1-N 3.17Å; N1123-D1126 HydrophobicContact CB-CB 4.16Å; N1123-D1126 WeakPolarHBondContact O-CB 3.21Å; N1123-D1126 PolarHBondContact O-N 3.31Å | ||
| 1124 | S | 61.8 | Low | 84.1 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.7 | -178.7 | 61.7 | 0 | 0 | 0 | 0 | 114.6 | D1126 T1204 S1208 | S1124-D1126 VanDerWaalsContact C-N 3.32Å; S1124-T1204 WeakPolarHBondContact OG-CG2 3.45Å; S1124-S1208 VanDerWaalsContact O-CB 3.26Å; S1124-S1208 WeakPolarHBondContact O-CB 3.4Å; S1124-S1208 PolarHBondContact O-OG 2.88Å |
| 1125 | N | 64.6 | Low | 84 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 54% | 0.535 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9 | 178 | -65.5 | -0.4 | 0 | 0 | 0 | 111.5 | N1123 S1208 | N1123-N1125 VanDerWaalsContact C-N 3.26Å; N1123-N1125 PolarHBondContact O-N 2.89Å; N1123-N1125 PolarHBondContact OD1-N 2.82Å; N1123-N1125 VanDerWaalsContact OD1-N 3.17Å; N1125-S1208 PolarHBondContact OD1-OG 3.3Å |
| 1126 | D | 80.5 | Confident | 84 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | trans | -63.8 | 129.6 | 174.4 | 177.2 | 59.6 | 0 | 0 | 0 | 111.6 | S1091 R1121 N1123 S1124 L1128 S1129 M1130 | S1091-D1126 VanDerWaalsContact CB-OD1 3.23Å; S1091-D1126 WeakPolarHBondContact CB-OD1 3.27Å; S1091-D1126 PolarHBondContact OG-OD1 2.79Å; R1121-D1126 IonicContact CZ-OD2 2.66Å; R1121-D1126 IonicContact NE-OD2 2.75Å; R1121-D1126 PolarHBondContact NE-OD2 3.48Å; R1121-D1126 IonicContact NH2-OD1 3.49Å; R1121-D1126 PolarHBondContact NH2-OD1 2.98Å; R1121-D1126 IonicContact NH2-OD2 2.73Å; R1121-D1126 PolarHBondContact NH2-OD2 3.18Å; N1123-D1126 HydrophobicContact CB-CB 4.16Å; N1123-D1126 WeakPolarHBondContact O-CB 3.21Å; N1123-D1126 PolarHBondContact O-N 3.31Å; S1124-D1126 VanDerWaalsContact C-N 3.32Å; D1126-L1128 VanDerWaalsContact C-N 3.31Å; D1126-L1128 PolarHBondContact O-N 3.49Å; D1126-L1128 WeakPolarHBondContact OD2-CB 3.25Å; D1126-S1129 PolarHBondContact O-N 2.77Å; D1126-S1129 PolarHBondContact OD2-N 2.92Å; D1126-M1130 VanDerWaalsContact O-CB 3.31Å; D1126-M1130 WeakPolarHBondContact O-CB 3.46Å; D1126-M1130 PolarHBondContact O-N 3.39Å | ||
| 1127 | L | 85.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 40.8 Ų | 40.8 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -31.7 | -172.2 | -169.7 | 64.1 | 0 | 0 | 0 | 112.4 | T1131 | L1127-T1131 WeakPolarHBondContact CD1-OG1 3.08Å; L1127-T1131 WeakPolarHBondContact O-CB 3.3Å; L1127-T1131 PolarHBondContact O-N 2.92Å; L1127-T1131 PolarHBondContact O-OG1 2.96Å |
| 1128 | L | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -56 | 175.3 | 170.1 | 63.9 | 0 | 0 | 0 | 111.4 | V1089 L1101 I1102 L1105 L1118 D1126 A1132 | V1089-L1128 HydrophobicContact CG1-CD2 4.42Å; L1101-L1128 HydrophobicContact CB-CD1 3.9Å; L1101-L1128 HydrophobicContact CD1-CD2 4.15Å; I1102-L1128 HydrophobicContact CG1-CD1 3.67Å; L1105-L1128 HydrophobicContact CD1-CD1 3.73Å; L1118-L1128 HydrophobicContact CD2-CD1 4.41Å; L1118-L1128 HydrophobicContact CD2-CG 4.13Å; D1126-L1128 VanDerWaalsContact C-N 3.31Å; D1126-L1128 PolarHBondContact O-N 3.49Å; D1126-L1128 WeakPolarHBondContact OD2-CB 3.25Å; L1128-A1132 VanDerWaalsContact O-CB 3.29Å; L1128-A1132 WeakPolarHBondContact O-CB 3.28Å; L1128-A1132 PolarHBondContact O-N 2.71Å; L1128-A1132 VanDerWaalsContact O-N 3.1Å |
| 1129 | S | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -51.2 | 176.3 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L1118 R1121 D1126 T1131 A1132 L1133 | L1118-S1129 PolarHBondContact O-OG 2.85Å; R1121-S1129 VanDerWaalsContact CD-OG 3.29Å; R1121-S1129 WeakPolarHBondContact CD-OG 3.12Å; D1126-S1129 PolarHBondContact O-N 2.77Å; D1126-S1129 PolarHBondContact OD2-N 2.92Å; S1129-T1131 PolarHBondContact O-N 2.69Å; S1129-A1132 PolarHBondContact O-N 2.93Å; S1129-L1133 VanDerWaalsContact O-CB 3.31Å; S1129-L1133 WeakPolarHBondContact O-CB 3.34Å; S1129-L1133 WeakPolarHBondContact O-CG 3.13Å; S1129-L1133 PolarHBondContact O-N 2.66Å |
| 1130 | M | 87.6 | Confident | 82.2 | Confident | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | -177.3 | -170.7 | -153.7 | -57.3 | 0 | 0 | 111.4 | D1126 H1134 L1209 N1212 | D1126-M1130 VanDerWaalsContact O-CB 3.31Å; D1126-M1130 WeakPolarHBondContact O-CB 3.46Å; D1126-M1130 PolarHBondContact O-N 3.39Å; M1130-H1134 WeakPolarHBondContact O-CB 3.37Å; M1130-H1134 PolarHBondContact O-N 2.82Å; M1130-L1209 HydrophobicContact CG-CD2 4.23Å; M1130-N1212 HydrophobicContact CE-CB 4.04Å; M1130-N1212 HydrophobicContact SD-CB 3.83Å |
| 1131 | T | 88.7 | Confident | 82 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | -175.9 | -54.6 | 0 | 0 | 0 | 0 | 112 | I1102 L1127 S1129 F1135 | I1102-T1131 HydrophobicContact CG2-CG2 4.05Å; L1127-T1131 WeakPolarHBondContact CD1-OG1 3.08Å; L1127-T1131 WeakPolarHBondContact O-CB 3.3Å; L1127-T1131 PolarHBondContact O-N 2.92Å; L1127-T1131 PolarHBondContact O-OG1 2.96Å; S1129-T1131 PolarHBondContact O-N 2.69Å; T1131-F1135 VanDerWaalsContact O-CB 3.24Å; T1131-F1135 WeakPolarHBondContact O-CB 3.4Å; T1131-F1135 PolarHBondContact O-N 3.35Å |
| 1132 | A | 89.2 | Confident | 82 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.4 | -46.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1105 L1118 L1128 S1129 F1135 W1136 | L1105-A1132 HydrophobicContact CD1-CB 3.99Å; L1118-A1132 HydrophobicContact CD1-CB 3.68Å; L1118-A1132 HydrophobicContact CD2-CB 4.26Å; L1128-A1132 VanDerWaalsContact O-CB 3.29Å; L1128-A1132 WeakPolarHBondContact O-CB 3.28Å; L1128-A1132 PolarHBondContact O-N 2.71Å; L1128-A1132 VanDerWaalsContact O-N 3.1Å; S1129-A1132 PolarHBondContact O-N 2.93Å; A1132-F1135 PolarHBondContact O-N 3.31Å; A1132-W1136 PolarHBondContact O-N 2.94Å |
| 1133 | L | 89.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.8 | -61.9 | 171.5 | 0 | 0 | 0 | 111 | V1115 L1118 L1119 S1129 W1136 S1137 F1147 H1205 L1209 | V1115-L1133 HydrophobicContact CG1-CD2 4.43Å; L1118-L1133 HydrophobicContact CB-CD1 4.47Å; L1118-L1133 HydrophobicContact CB-CD2 4.12Å; L1118-L1133 HydrophobicContact CB-CG 4.28Å; L1118-L1133 HydrophobicContact CD1-CD2 4.28Å; L1119-L1133 HydrophobicContact CD2-CD1 3.79Å; L1119-L1133 HydrophobicContact CG-CD1 4.43Å; S1129-L1133 VanDerWaalsContact O-CB 3.31Å; S1129-L1133 WeakPolarHBondContact O-CB 3.34Å; S1129-L1133 WeakPolarHBondContact O-CG 3.13Å; S1129-L1133 PolarHBondContact O-N 2.66Å; L1133-W1136 PolarHBondContact O-N 2.98Å; L1133-S1137 WeakPolarHBondContact O-CB 3.44Å; L1133-S1137 PolarHBondContact O-N 3.39Å; L1133-S1137 VanDerWaalsContact O-N 3.08Å; L1133-F1147 HydrophobicContact CB-CZ 4.05Å; L1133-F1147 HydrophobicContact CD2-CE2 3.63Å; L1133-F1147 HydrophobicContact CD2-CZ 3.7Å; L1133-F1147 HydrophobicContact CG-CZ 4.46Å; L1133-H1205 HydrophobicContact CD1-CB 4.41Å; L1133-L1209 HydrophobicContact CB-CD1 4.11Å; L1133-L1209 HydrophobicContact CB-CD2 4.46Å |
| 1134 | H | 88.6 | Confident | 83.2 | Confident | 52 Ų | 52 | 47 Ų | 47 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.3 | 179.3 | -116.9 | 0 | 0 | 0 | 111.9 | M1130 W1136 S1137 C1138 L1209 | M1130-H1134 WeakPolarHBondContact O-CB 3.37Å; M1130-H1134 PolarHBondContact O-N 2.82Å; H1134-W1136 VanDerWaalsContact C-N 3.32Å; H1134-W1136 PolarHBondContact O-N 3.08Å; H1134-S1137 WeakPolarHBondContact CA-OG 3.29Å; H1134-S1137 WeakPolarHBondContact O-CA 3.48Å; H1134-S1137 WeakPolarHBondContact O-CB 3.28Å; H1134-S1137 PolarHBondContact O-N 3.48Å; H1134-S1137 PolarHBondContact O-OG 2.97Å; H1134-C1138 PolarHBondContact O-N 3.23Å; H1134-C1138 PolarHBondContact O-SG 2.95Å; H1134-L1209 HydrophobicContact CB-CD2 3.78Å |
| 1135 | F | 88.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 48 Ų | 48 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | -179.8 | 172.4 | -108.7 | 0 | 0 | 0 | 112.7 | K1106 T1131 A1132 S1137 N1141 | K1106-F1135 HydrophobicContact CB-CE1 4.26Å; K1106-F1135 HydrophobicContact CG-CD1 4.39Å; K1106-F1135 HydrophobicContact CG-CE1 3.85Å; K1106-F1135 HydrophobicContact CG-CE2 4.22Å; K1106-F1135 HydrophobicContact CG-CZ 3.75Å; K1106-F1135 WeakPolarHBondContact O-CE1 3.11Å; T1131-F1135 VanDerWaalsContact O-CB 3.24Å; T1131-F1135 WeakPolarHBondContact O-CB 3.4Å; T1131-F1135 PolarHBondContact O-N 3.35Å; A1132-F1135 PolarHBondContact O-N 3.31Å; F1135-S1137 VanDerWaalsContact C-N 3.33Å; F1135-N1141 PolarHBondContact O-ND2 2.96Å |
| 1136 | W | 89.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -22.8 | 174 | -68.1 | -36.6 | 0 | 0 | 0 | 113.5 | L1105 E1108 P1110 L1114 V1115 L1118 A1132 L1133 H1134 A1144 F1147 | L1105-W1136 HydrophobicContact CD2-CH2 4.15Å; E1108-W1136 PolarHBondContact O-NE1 2.93Å; P1110-W1136 HydrophobicContact CB-CD2 3.83Å; P1110-W1136 HydrophobicContact CB-CE3 3.86Å; P1110-W1136 HydrophobicContact CB-CG 4.25Å; P1110-W1136 HydrophobicContact CB-CZ3 4.22Å; P1110-W1136 HydrophobicContact CG-CD2 4.34Å; P1110-W1136 HydrophobicContact CG-CG 4.28Å; L1114-W1136 HydrophobicContact CB-CH2 4.01Å; L1114-W1136 HydrophobicContact CD1-CH2 4.46Å; V1115-W1136 HydrophobicContact CG2-CE3 4.15Å; V1115-W1136 HydrophobicContact CG2-CZ3 3.87Å; L1118-W1136 HydrophobicContact CD1-CH2 4.17Å; L1118-W1136 HydrophobicContact CD1-CZ3 3.73Å; A1132-W1136 PolarHBondContact O-N 2.94Å; L1133-W1136 PolarHBondContact O-N 2.98Å; H1134-W1136 VanDerWaalsContact C-N 3.32Å; H1134-W1136 PolarHBondContact O-N 3.08Å; W1136-A1144 VanDerWaalsContact O-CA 3.31Å; W1136-A1144 WeakPolarHBondContact O-CA 3.45Å; W1136-F1147 HydrophobicContact CB-CB 4.07Å; W1136-F1147 HydrophobicContact CB-CD1 4.24Å; W1136-F1147 HydrophobicContact CB-CD2 4.14Å; W1136-F1147 HydrophobicContact CB-CG 3.89Å; W1136-F1147 HydrophobicContact CE3-CD2 4.24Å; W1136-F1147 HydrophobicContact CE3-CE2 4.35Å |
| 1137 | S | 85.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -79.4 | -19.9 | 178.3 | 78.3 | 0 | 0 | 0 | 0 | 115.6 | L1133 H1134 F1135 | L1133-S1137 WeakPolarHBondContact O-CB 3.44Å; L1133-S1137 PolarHBondContact O-N 3.39Å; L1133-S1137 VanDerWaalsContact O-N 3.08Å; H1134-S1137 WeakPolarHBondContact CA-OG 3.29Å; H1134-S1137 WeakPolarHBondContact O-CA 3.48Å; H1134-S1137 WeakPolarHBondContact O-CB 3.28Å; H1134-S1137 PolarHBondContact O-N 3.48Å; H1134-S1137 PolarHBondContact O-OG 2.97Å; F1135-S1137 VanDerWaalsContact C-N 3.33Å |
| 1138 | C | 84.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -63.2 | 140.4 | -174.9 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | H1134 D1140 N1141 | H1134-C1138 PolarHBondContact O-N 3.23Å; H1134-C1138 PolarHBondContact O-SG 2.95Å; C1138-D1140 VanDerWaalsContact C-N 3.26Å; C1138-D1140 PolarHBondContact O-N 3.45Å; C1138-N1141 VanDerWaalsContact O-CB 3.24Å; C1138-N1141 WeakPolarHBondContact O-CB 3.34Å; C1138-N1141 PolarHBondContact O-N 3.45Å |
| 1139 | P | 72 | Confident | 85.7 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.3 | -175.6 | 23.5 | -32 | 0 | 0 | 0 | 113.8 | N1141 S1217 | P1139-N1141 PolarHBondContact O-N 3.01Å; P1139-S1217 WeakPolarHBondContact CB-OG 3.26Å; P1139-S1217 WeakPolarHBondContact CD-OG 3.18Å |
| 1140 | D | 76.8 | Confident | 85.7 | Confident | 167 Ų | 167 | 48 Ų | 48 | 89% | 0.893 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.9 | 174.1 | -68.6 | -38.2 | 0 | 0 | 0 | 113.3 | C1138 | C1138-D1140 VanDerWaalsContact C-N 3.26Å; C1138-D1140 PolarHBondContact O-N 3.45Å |
| 1141 | N | 82.3 | Confident | 85.7 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.118 | 25% | 0.25 | C | S | . | . | trans | -84.6 | 120.8 | -179.9 | -162.8 | -36.8 | 0 | 0 | 0 | 111.3 | F1135 C1138 P1139 H1143 A1144 | F1135-N1141 PolarHBondContact O-ND2 2.96Å; C1138-N1141 VanDerWaalsContact O-CB 3.24Å; C1138-N1141 WeakPolarHBondContact O-CB 3.34Å; C1138-N1141 PolarHBondContact O-N 3.45Å; P1139-N1141 PolarHBondContact O-N 3.01Å; N1141-H1143 PolarHBondContact O-N 3.42Å; N1141-H1143 PolarHBondContact OD1-N 3.17Å; N1141-A1144 WeakPolarHBondContact O-CB 3.22Å; N1141-A1144 PolarHBondContact O-N 3.21Å | ||
| 1142 | Q | 84.5 | Confident | 85.7 | Confident | 168 Ų | 168 | 45.1 Ų | 45.1 | 79% | 0.785 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -5.7 | 172.9 | 62.9 | 169.5 | 24.6 | 0 | 0 | 115.3 | ||
| 1143 | H | 85.8 | Confident | 85.6 | Confident | 45 Ų | 45 | 47 Ų | 47 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 4.5 | 177.9 | -60.2 | -29.1 | 0 | 0 | 0 | 114.4 | P1110 N1141 R1146 F1147 | P1110-H1143 HydrophobicContact CG-CB 3.95Å; N1141-H1143 PolarHBondContact O-N 3.42Å; N1141-H1143 PolarHBondContact OD1-N 3.17Å; H1143-R1146 WeakPolarHBondContact O-CB 3.34Å; H1143-R1146 PolarHBondContact O-N 3.26Å; H1143-R1146 VanDerWaalsContact O-N 3.14Å; H1143-F1147 PolarHBondContact O-N 2.94Å |
| 1144 | A | 84.4 | Confident | 85.5 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.7 | -62.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1136 N1141 R1146 F1147 S1148 | W1136-A1144 VanDerWaalsContact O-CA 3.31Å; W1136-A1144 WeakPolarHBondContact O-CA 3.45Å; N1141-A1144 WeakPolarHBondContact O-CB 3.22Å; N1141-A1144 PolarHBondContact O-N 3.21Å; A1144-R1146 PolarHBondContact O-N 3.38Å; A1144-R1146 VanDerWaalsContact O-N 3.09Å; A1144-F1147 CarbonylContact O-C 3.51Å; A1144-F1147 WeakPolarHBondContact O-CA 3.3Å; A1144-F1147 VanDerWaalsContact O-CB 3.31Å; A1144-F1147 WeakPolarHBondContact O-CB 3.46Å; A1144-F1147 PolarHBondContact O-N 3.43Å; A1144-S1148 PolarHBondContact O-N 2.78Å; A1144-S1148 PolarHBondContact O-OG 2.7Å; A1144-S1148 VanDerWaalsContact O-OG 3.1Å |
| 1145 | G | 83.9 | Confident | 85.3 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -24.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1149 | G1145-N1149 WeakPolarHBondContact O-CB 3.29Å; G1145-N1149 PolarHBondContact O-N 2.8Å; G1145-N1149 PolarHBondContact O-ND2 3.19Å; G1145-N1149 VanDerWaalsContact O-ND2 3.07Å |
| 1146 | R | 87.6 | Confident | 85 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 44% | 0.438 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.7 | -38.9 | 171.8 | 176.4 | -176.3 | 165.5 | 100.2 | 5.5 | 111.2 | P1110 H1143 A1144 I1150 | P1110-R1146 HydrophobicContact CG-CG 4.18Å; P1110-R1146 VanDerWaalsContact O-CZ 3.25Å; P1110-R1146 PolarHBondContact O-NE 3.49Å; P1110-R1146 PolarHBondContact O-NH2 3.01Å; H1143-R1146 WeakPolarHBondContact O-CB 3.34Å; H1143-R1146 PolarHBondContact O-N 3.26Å; H1143-R1146 VanDerWaalsContact O-N 3.14Å; A1144-R1146 PolarHBondContact O-N 3.38Å; A1144-R1146 VanDerWaalsContact O-N 3.09Å; R1146-I1150 HydrophobicContact CG-CD1 4.16Å; R1146-I1150 WeakPolarHBondContact O-CD1 3.31Å; R1146-I1150 VanDerWaalsContact O-CG1 3.28Å; R1146-I1150 WeakPolarHBondContact O-CG1 3.43Å; R1146-I1150 PolarHBondContact O-N 3.43Å; R1146-I1150 VanDerWaalsContact O-N 3.15Å |
| 1147 | F | 89.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 172.1 | 179 | -116 | 0 | 0 | 0 | 110.9 | P1110 V1115 L1133 W1136 H1143 A1144 N1149 I1150 L1151 L1218 | P1110-F1147 HydrophobicContact CB-CB 4.39Å; P1110-F1147 HydrophobicContact CB-CD2 4.25Å; P1110-F1147 HydrophobicContact CG-CB 4.12Å; V1115-F1147 HydrophobicContact CG1-CD2 4.49Å; V1115-F1147 HydrophobicContact CG1-CE2 3.93Å; V1115-F1147 HydrophobicContact CG2-CD2 3.85Å; V1115-F1147 HydrophobicContact CG2-CE2 3.88Å; L1133-F1147 HydrophobicContact CB-CZ 4.05Å; L1133-F1147 HydrophobicContact CD2-CE2 3.63Å; L1133-F1147 HydrophobicContact CD2-CZ 3.7Å; L1133-F1147 HydrophobicContact CG-CZ 4.46Å; W1136-F1147 HydrophobicContact CB-CB 4.07Å; W1136-F1147 HydrophobicContact CB-CD1 4.24Å; W1136-F1147 HydrophobicContact CB-CD2 4.14Å; W1136-F1147 HydrophobicContact CB-CG 3.89Å; W1136-F1147 HydrophobicContact CE3-CD2 4.24Å; W1136-F1147 HydrophobicContact CE3-CE2 4.35Å; H1143-F1147 PolarHBondContact O-N 2.94Å; A1144-F1147 CarbonylContact O-C 3.51Å; A1144-F1147 WeakPolarHBondContact O-CA 3.3Å; A1144-F1147 VanDerWaalsContact O-CB 3.31Å; A1144-F1147 WeakPolarHBondContact O-CB 3.46Å; A1144-F1147 PolarHBondContact O-N 3.43Å; F1147-N1149 VanDerWaalsContact C-N 3.34Å; F1147-N1149 PolarHBondContact O-N 2.79Å; F1147-I1150 PolarHBondContact O-N 3.1Å; F1147-L1151 HydrophobicContact CE1-CD2 4.04Å; F1147-L1151 HydrophobicContact CZ-CD2 4.05Å; F1147-L1151 VanDerWaalsContact O-CB 3.28Å; F1147-L1151 WeakPolarHBondContact O-CB 3.49Å; F1147-L1151 PolarHBondContact O-N 3.21Å; F1147-L1218 HydrophobicContact CD1-CD1 4.08Å; F1147-L1218 HydrophobicContact CD1-CD2 4.31Å; F1147-L1218 HydrophobicContact CE1-CD1 4.33Å; F1147-L1218 HydrophobicContact CE1-CD2 3.78Å |
| 1148 | S | 87 | Confident | 83.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.3 | -48.5 | 173.3 | -45.8 | 0 | 0 | 0 | 0 | 112 | A1144 I1150 L1151 C1152 L1218 D1221 | A1144-S1148 PolarHBondContact O-N 2.78Å; A1144-S1148 PolarHBondContact O-OG 2.7Å; A1144-S1148 VanDerWaalsContact O-OG 3.1Å; S1148-I1150 PolarHBondContact O-N 2.82Å; S1148-L1151 PolarHBondContact O-N 2.95Å; S1148-C1152 WeakPolarHBondContact O-CB 3.27Å; S1148-C1152 PolarHBondContact O-N 3.05Å; S1148-L1218 WeakPolarHBondContact OG-CD1 3.32Å; S1148-D1221 VanDerWaalsContact CB-CG 3.44Å; S1148-D1221 WeakPolarHBondContact CB-OD2 3.42Å; S1148-D1221 VanDerWaalsContact OG-CG 3.29Å; S1148-D1221 PolarHBondContact OG-OD2 3.42Å |
| 1149 | N | 87.1 | Confident | 82.3 | Confident | 87 Ų | 87 | 45.9 Ų | 45.9 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.3 | -94.3 | -111.8 | 0 | 0 | 0 | 113.2 | G1145 F1147 S1153 D1223 | G1145-N1149 WeakPolarHBondContact O-CB 3.29Å; G1145-N1149 PolarHBondContact O-N 2.8Å; G1145-N1149 PolarHBondContact O-ND2 3.19Å; G1145-N1149 VanDerWaalsContact O-ND2 3.07Å; F1147-N1149 VanDerWaalsContact C-N 3.34Å; F1147-N1149 PolarHBondContact O-N 2.79Å; N1149-S1153 WeakPolarHBondContact O-CB 3.22Å; N1149-S1153 PolarHBondContact O-N 3.11Å; N1149-S1153 VanDerWaalsContact O-N 3.1Å; N1149-S1153 PolarHBondContact O-OG 3.3Å; N1149-D1223 PolarHBondContact ND2-OD2 3.05Å |
| 1150 | I | 88.8 | Confident | 81.6 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.1 | -70.2 | 165.8 | 0 | 0 | 0 | 110.3 | P1110 F1112 V1115 R1146 F1147 S1148 S1153 F1154 | P1110-I1150 HydrophobicContact CB-CD1 4.15Å; P1110-I1150 WeakPolarHBondContact O-CD1 3.31Å; F1112-I1150 HydrophobicContact CD1-CG2 3.9Å; F1112-I1150 HydrophobicContact CD2-CG1 4.19Å; F1112-I1150 HydrophobicContact CE1-CB 4.4Å; F1112-I1150 HydrophobicContact CE1-CG1 4.39Å; F1112-I1150 HydrophobicContact CE1-CG2 4Å; F1112-I1150 HydrophobicContact CE2-CG1 3.89Å; F1112-I1150 HydrophobicContact CG-CG2 4.25Å; F1112-I1150 HydrophobicContact CZ-CB 4.41Å; F1112-I1150 HydrophobicContact CZ-CG1 3.99Å; F1112-I1150 HydrophobicContact CZ-CG2 4.44Å; V1115-I1150 HydrophobicContact CB-CG2 3.95Å; V1115-I1150 HydrophobicContact CG1-CG2 3.95Å; V1115-I1150 HydrophobicContact CG2-CG2 4.11Å; R1146-I1150 HydrophobicContact CG-CD1 4.16Å; R1146-I1150 WeakPolarHBondContact O-CD1 3.31Å; R1146-I1150 VanDerWaalsContact O-CG1 3.28Å; R1146-I1150 WeakPolarHBondContact O-CG1 3.43Å; R1146-I1150 PolarHBondContact O-N 3.43Å; R1146-I1150 VanDerWaalsContact O-N 3.15Å; F1147-I1150 PolarHBondContact O-N 3.1Å; S1148-I1150 PolarHBondContact O-N 2.82Å; I1150-S1153 WeakPolarHBondContact O-CB 3.28Å; I1150-S1153 PolarHBondContact O-N 3.09Å; I1150-F1154 HydrophobicContact CG2-CD2 3.96Å; I1150-F1154 HydrophobicContact CG2-CE2 3.64Å; I1150-F1154 WeakPolarHBondContact O-CD2 3.26Å; I1150-F1154 PolarHBondContact O-N 2.5Å; I1150-F1154 VanDerWaalsContact O-N 3.15Å |
| 1151 | L | 88 | Confident | 80.2 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.4 | -43.8 | -177.7 | -171.7 | 59.1 | 0 | 0 | 0 | 112 | L1119 F1147 S1148 S1153 F1154 I1155 I1202 L1206 L1218 I1224 | L1119-L1151 HydrophobicContact CD1-CD1 3.89Å; F1147-L1151 HydrophobicContact CE1-CD2 4.04Å; F1147-L1151 HydrophobicContact CZ-CD2 4.05Å; F1147-L1151 VanDerWaalsContact O-CB 3.28Å; F1147-L1151 WeakPolarHBondContact O-CB 3.49Å; F1147-L1151 PolarHBondContact O-N 3.21Å; S1148-L1151 PolarHBondContact O-N 2.95Å; L1151-S1153 VanDerWaalsContact C-N 3.25Å; L1151-S1153 PolarHBondContact O-N 3.02Å; L1151-F1154 PolarHBondContact O-N 3.41Å; L1151-F1154 VanDerWaalsContact O-N 3.08Å; L1151-I1155 HydrophobicContact CG-CD1 4.14Å; L1151-I1155 VanDerWaalsContact O-CG1 3.27Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.25Å; L1151-I1155 PolarHBondContact O-N 2.96Å; L1151-I1202 HydrophobicContact CD1-CG2 4.18Å; L1151-L1206 HydrophobicContact CD2-CD2 3.88Å; L1151-L1218 HydrophobicContact CD2-CD1 4.39Å; L1151-L1218 HydrophobicContact CD2-CD2 3.92Å; L1151-I1224 HydrophobicContact CB-CD1 4.11Å; L1151-I1224 HydrophobicContact CD2-CD1 4.22Å; L1151-I1224 HydrophobicContact CG-CD1 4.16Å |
| 1152 | C | 86.9 | Confident | 77.9 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.9 | -40.3 | 170.1 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | S1148 I1155 N1156 D1223 I1224 | S1148-C1152 WeakPolarHBondContact O-CB 3.27Å; S1148-C1152 PolarHBondContact O-N 3.05Å; C1152-I1155 PolarHBondContact O-N 3.32Å; C1152-N1156 WeakPolarHBondContact O-CB 3.41Å; C1152-N1156 PolarHBondContact O-N 2.89Å; C1152-N1156 PolarHBondContact O-ND2 3.2Å; C1152-N1156 PolarHBondContact SG-ND2 3.18Å; C1152-D1223 HydrophobicContact CB-CB 4.14Å; C1152-D1223 PolarHBondContact SG-O 3Å; C1152-I1224 HydrophobicContact CB-CD1 4.12Å |
| 1153 | S | 87.3 | Confident | 75.2 | Confident | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.8 | -58 | 0 | 0 | 0 | 0 | 112.5 | N1149 I1150 L1151 A1157 | N1149-S1153 WeakPolarHBondContact O-CB 3.22Å; N1149-S1153 PolarHBondContact O-N 3.11Å; N1149-S1153 VanDerWaalsContact O-N 3.1Å; N1149-S1153 PolarHBondContact O-OG 3.3Å; I1150-S1153 WeakPolarHBondContact O-CB 3.28Å; I1150-S1153 PolarHBondContact O-N 3.09Å; L1151-S1153 VanDerWaalsContact C-N 3.25Å; L1151-S1153 PolarHBondContact O-N 3.02Å; S1153-A1157 PolarHBondContact O-N 3.49Å |
| 1154 | F | 87.2 | Confident | 72.5 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69 | -36.2 | 174.3 | -75.6 | -64.1 | 0 | 0 | 0 | 113 | F1112 V1115 R1116 L1119 I1150 L1151 P1158 L1191 I1202 | F1112-F1154 HydrophobicContact CB-CZ 4.5Å; F1112-F1154 AromaticContact CD1-CE2 3.77Å; F1112-F1154 HydrophobicContact CD1-CE2 3.77Å; F1112-F1154 AromaticContact CD1-CZ 3.75Å; F1112-F1154 HydrophobicContact CD1-CZ 3.75Å; F1112-F1154 HydrophobicContact CE1-CE2 4.37Å; V1115-F1154 HydrophobicContact CB-CE2 4.4Å; V1115-F1154 HydrophobicContact CG1-CD2 4.3Å; V1115-F1154 HydrophobicContact CG1-CE2 4.08Å; R1116-F1154 HydrophobicContact CB-CE1 4.38Å; R1116-F1154 HydrophobicContact CB-CZ 3.84Å; L1119-F1154 HydrophobicContact CD1-CD2 4.38Å; I1150-F1154 HydrophobicContact CG2-CD2 3.96Å; I1150-F1154 HydrophobicContact CG2-CE2 3.64Å; I1150-F1154 WeakPolarHBondContact O-CD2 3.26Å; I1150-F1154 PolarHBondContact O-N 2.5Å; I1150-F1154 VanDerWaalsContact O-N 3.15Å; L1151-F1154 PolarHBondContact O-N 3.41Å; L1151-F1154 VanDerWaalsContact O-N 3.08Å; F1154-P1158 VanDerWaalsContact O-CD 3.23Å; F1154-P1158 WeakPolarHBondContact O-CD 3.39Å; F1154-L1191 HydrophobicContact CD1-CD2 3.7Å; F1154-L1191 HydrophobicContact CE1-CD2 3.55Å; F1154-L1191 HydrophobicContact CZ-CD2 4.47Å; F1154-I1202 HydrophobicContact CB-CD1 3.98Å |
| 1155 | I | 84.1 | Confident | 69.9 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | 177.3 | -64.4 | 163 | 0 | 0 | 0 | 111.4 | L1151 C1152 P1158 I1202 L1206 I1224 A1227 L1231 | L1151-I1155 HydrophobicContact CG-CD1 4.14Å; L1151-I1155 VanDerWaalsContact O-CG1 3.27Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.25Å; L1151-I1155 PolarHBondContact O-N 2.96Å; C1152-I1155 PolarHBondContact O-N 3.32Å; I1155-P1158 WeakPolarHBondContact O-CD 3.33Å; I1155-I1202 HydrophobicContact CG1-CG2 4.14Å; I1155-L1206 HydrophobicContact CD1-CD1 4Å; I1155-L1206 HydrophobicContact CG1-CD1 4.46Å; I1155-I1224 HydrophobicContact CD1-CD1 4.08Å; I1155-A1227 HydrophobicContact CB-CB 4.16Å; I1155-A1227 HydrophobicContact CD1-CB 4.4Å; I1155-A1227 HydrophobicContact CG2-CB 3.76Å; I1155-L1231 HydrophobicContact CG2-CD1 3.5Å |
| 1156 | N | 82.2 | Confident | 67.3 | Low | 46 Ų | 46 | 56.5 Ų | 56.5 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -87.1 | -15.6 | -175.6 | -74 | -40.1 | 0 | 0 | 0 | 114.7 | C1152 L1159 S1160 S1230 | C1152-N1156 WeakPolarHBondContact O-CB 3.41Å; C1152-N1156 PolarHBondContact O-N 2.89Å; C1152-N1156 PolarHBondContact O-ND2 3.2Å; C1152-N1156 PolarHBondContact SG-ND2 3.18Å; N1156-L1159 PolarHBondContact O-N 2.76Å; N1156-S1160 PolarHBondContact O-N 3.37Å; N1156-S1160 PolarHBondContact O-OG 3.03Å; N1156-S1230 PolarHBondContact OD1-OG 2.91Å |
| 1157 | A | 74.9 | Confident | 64.6 | Low | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1153 L1159 S1160 | S1153-A1157 PolarHBondContact O-N 3.49Å; A1157-L1159 PolarHBondContact O-N 2.76Å; A1157-S1160 PolarHBondContact O-N 2.79Å; A1157-S1160 VanDerWaalsContact O-N 3.14Å |
| 1158 | P | 67.4 | Low | 61.7 | Low | 33 Ų | 33 | 62.4 Ų | 62.4 | 21% | 0.214 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -24.8 | 173.5 | -24.5 | 33.7 | 0 | 0 | 0 | 115.2 | F1154 I1155 S1161 L1199 | F1154-P1158 VanDerWaalsContact O-CD 3.23Å; F1154-P1158 WeakPolarHBondContact O-CD 3.39Å; I1155-P1158 WeakPolarHBondContact O-CD 3.33Å; P1158-S1161 PolarHBondContact O-OG 2.99Å; P1158-S1161 VanDerWaalsContact O-OG 3.1Å; P1158-L1199 HydrophobicContact CB-CB 4.49Å; P1158-L1199 HydrophobicContact CB-CD2 4.06Å; P1158-L1199 HydrophobicContact CG-CB 4.06Å; P1158-L1199 HydrophobicContact CG-CD2 4.27Å |
| 1159 | L | 60.5 | Low | 59 | Low | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -79.9 | -26.2 | 177.6 | -68 | 175.3 | 0 | 0 | 0 | 112.2 | N1156 A1157 S1230 L1231 S1234 K1236 | N1156-L1159 PolarHBondContact O-N 2.76Å; A1157-L1159 PolarHBondContact O-N 2.76Å; L1159-S1230 WeakPolarHBondContact CD1-OG 3.44Å; L1159-L1231 HydrophobicContact CD1-CD1 4.14Å; L1159-S1234 WeakPolarHBondContact CD2-OG 3.4Å; L1159-K1236 PolarHBondContact O-NZ 3.03Å |
| 1160 | S | 57.6 | Low | 56.3 | Low | 97 Ų | 97 | 67 Ų | 67 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -78 | -18.5 | -175.5 | -59 | 0 | 0 | 0 | 0 | 113.9 | N1156 A1157 T1162 | N1156-S1160 PolarHBondContact O-N 3.37Å; N1156-S1160 PolarHBondContact O-OG 3.03Å; A1157-S1160 PolarHBondContact O-N 2.79Å; A1157-S1160 VanDerWaalsContact O-N 3.14Å; S1160-T1162 PolarHBondContact O-N 2.88Å |
| 1161 | S | 47.9 | Very low | 53.5 | Low | 87 Ų | 87 | 73.1 Ų | 73.1 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | trans | -79.8 | 82.3 | -178.6 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | P1158 K1236 | P1158-S1161 PolarHBondContact O-OG 2.99Å; P1158-S1161 VanDerWaalsContact O-OG 3.1Å; S1161-K1236 PolarHBondContact O-NZ 3.28Å | ||
| 1162 | T | 32.3 | Very low | 50.9 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 55% | 0.546 | 53% | 0.525 | S | S | . | . | trans | -149.2 | 102.4 | 158 | 32.2 | 0 | 0 | 0 | 0 | 110.5 | S1160 K1236 | S1160-T1162 PolarHBondContact O-N 2.88Å; T1162-K1236 VanDerWaalsContact CG2-NZ 3.28Å; T1162-K1236 PolarHBondContact OG1-NZ 3.37Å | ||
| 1163 | N | 29 | Very low | 48.4 | Very low | 172 Ų | 172 | 84.2 Ų | 84.2 | 92% | 0.92 | 55% | 0.549 | S | S | * | . | trans | 172.5 | 83 | 135.6 | -89.1 | -11.5 | 0 | 0 | 0 | 111.1 | ||||
| 1164 | A | 29.3 | Very low | 46 | Very low | 103 Ų | 103 | 89.3 Ų | 89.3 | 85% | 0.851 | 57% | 0.568 | S | S | * | * | trans | -157 | 105 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1165 | V | 29.5 | Very low | 43.5 | Very low | 154 Ų | 154 | 94.9 Ų | 94.9 | 93% | 0.933 | 60% | 0.598 | S | S | * | * | trans | -114.9 | 133.5 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1166 | G | 29.4 | Very low | 41.1 | Very low | 66 Ų | 66 | 102.1 Ų | 102.1 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | trans | 130.3 | 86 | -169.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1167 | V | 30.3 | Very low | 38.8 | Very low | 130 Ų | 130 | 107.6 Ų | 107.6 | 79% | 0.788 | 66% | 0.655 | S | S | * | * | 66.7 | 105.4 | 63.6 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1168 | S | 30 | Very low | 36.9 | Very low | 111 Ų | 111 | 112.3 Ų | 112.3 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | 72 | 133.5 | 156.1 | 70.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1169 | S | 29.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | 80.6 | 95 | 134.8 | -162.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1170 | A | 29.9 | Very low | 34.1 | Very low | 77 Ų | 77 | 123 Ų | 123 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | 69.1 | 118.8 | 120.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1171 | T | 30.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 74.4 | 149.6 | 135.8 | 57.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1172 | N | 33.4 | Very low | 31.7 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 77.6 | 92.3 | 160.6 | -86.6 | -23.7 | 0 | 0 | 0 | 120.8 | ||||
| 1173 | N | 33 | Very low | 31.6 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | 64.1 | 124.8 | 108.6 | -88.4 | -47.7 | 0 | 0 | 0 | 121 | |||||
| 1174 | Q | 37.1 | Very low | 31.4 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 67.7 | 143.3 | 137.6 | -62.3 | 170.5 | 38.5 | 0 | 0 | 116.9 | ||||
| 1175 | N | 34.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | cis | -165.6 | 159.2 | 17.3 | -133.8 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 1176 | M | 34.7 | Very low | 31.1 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 55 | 152.7 | 150.5 | -74.3 | -179.5 | 66.3 | 0 | 0 | 120.9 | ||||
| 1177 | K | 32.6 | Very low | 31.1 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 70% | 0.7 | 74% | 0.744 | S | S | * | * | cis | -167.3 | 174.9 | -27.2 | -143.3 | 175.7 | -178.2 | 173.7 | 0 | 108.2 | ||||
| 1178 | D | 35.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 74.4 | 116 | 149 | -64.6 | -27.5 | 0 | 0 | 0 | 122.7 | ||||
| 1179 | V | 36.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | 99.8 | 109.9 | 120.7 | 167.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1180 | K | 33 | Very low | 31.8 | Very low | 165 Ų | 165 | 150 Ų | 150 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 81.5 | 111 | 140 | -86.3 | -172.4 | 175.3 | -126.2 | 0 | 124.1 | ||||
| 1181 | E | 27.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 58% | 0.575 | 74% | 0.739 | S | S | * | * | 66.6 | 124.3 | 114.7 | -84.6 | -165.5 | 94.5 | 0 | 0 | 122.2 | |||||
| 1182 | K | 27.6 | Very low | 33.1 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | 89.5 | 76.1 | 123.8 | -163.1 | -175 | -128.2 | 133.3 | 0 | 120.2 | |||||
| 1183 | R | 29.7 | Very low | 33.6 | Very low | 240 Ų | 240 | 144.4 Ų | 144.4 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | trans | -161.3 | 119.4 | 133.9 | -94.6 | 137.2 | -176.2 | -162.4 | 1.2 | 107.2 | ||||
| 1184 | R | 25.9 | Very low | 34.4 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | 63.3 | 137.8 | 82.9 | -87.5 | -170.5 | 172 | 179.6 | -1.8 | 114.3 | |||||
| 1185 | S | 25.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | 68 | 113.9 | 176 | 59.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1186 | S | 25.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | 46.1 | 96.4 | 142.4 | 58.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1187 | S | 30.1 | Very low | 38.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | trans | -118.9 | 131.7 | 164.1 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1188 | K | 29.9 | Very low | 40.6 | Very low | 201 Ų | 201 | 129.3 Ų | 129.3 | 87% | 0.874 | 65% | 0.654 | S | S | * | * | trans | -65.3 | 142.5 | 171.1 | -66.1 | 177.5 | 175.6 | -177.5 | 0 | 109.5 | Q1190 | K1188-Q1190 PolarHBondContact O-N 2.91Š| ||
| 1189 | H | 37.6 | Very low | 42.8 | Very low | 176 Ų | 176 | 124 Ų | 124 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | trans | -68.9 | 109.9 | 165.5 | -83.5 | -81.7 | 0 | 0 | 0 | 109 | ||||
| 1190 | Q | 37.8 | Very low | 45 | Very low | 188 Ų | 188 | 119.5 Ų | 119.5 | 88% | 0.879 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -81 | 133.2 | 155.4 | -71.5 | 176.9 | -53.5 | 0 | 0 | 107.4 | K1188 | K1188-Q1190 PolarHBondContact O-N 2.91Š|
| 1191 | L | 45.2 | Very low | 47.6 | Very low | 55 Ų | 55 | 113 Ų | 113 | 29% | 0.288 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 144.8 | 169.9 | -73.7 | 83.2 | 0 | 0 | 0 | 108.8 | F1154 D1195 | F1154-L1191 HydrophobicContact CD1-CD2 3.7Å; F1154-L1191 HydrophobicContact CE1-CD2 3.55Å; F1154-L1191 HydrophobicContact CZ-CD2 4.47Å; L1191-D1195 HydrophobicContact CB-CB 4.21Å; L1191-D1195 HydrophobicContact CD2-CB 4.33Å |
| 1192 | S | 42.3 | Very low | 50.3 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 161.8 | 170.9 | 80.4 | 0 | 0 | 0 | 0 | 110.6 | E1194 D1195 | S1192-E1194 PolarHBondContact O-N 3.5Å; S1192-D1195 VanDerWaalsContact CB-OD2 3.28Å; S1192-D1195 WeakPolarHBondContact CB-OD2 3.35Å; S1192-D1195 PolarHBondContact N-OD2 2.9Å; S1192-D1195 VanDerWaalsContact N-OD2 3.11Å; S1192-D1195 WeakPolarHBondContact O-CB 3.45Å; S1192-D1195 PolarHBondContact O-N 3.09Å; S1192-D1195 PolarHBondContact OG-N 2.84Å; S1192-D1195 PolarHBondContact OG-OD2 2.86Å |
| 1193 | P | 43.4 | Very low | 53.1 | Low | 126 Ų | 126 | 99 Ų | 99 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -59.1 | -34.3 | 178.5 | -24.3 | 35.3 | 0 | 0 | 0 | 113.2 | D1195 | P1193-D1195 PolarHBondContact O-N 2.74Š|
| 1194 | E | 49.6 | Very low | 55.8 | Low | 170 Ų | 170 | 88.5 Ų | 88.5 | 79% | 0.794 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -73.6 | -14.8 | 177.8 | -62.2 | -176.6 | 172.7 | 0 | 0 | 112.7 | R1116 S1192 | R1116-E1194 PolarHBondContact NH2-O 2.93Å; S1192-E1194 PolarHBondContact O-N 3.5Å |
| 1195 | D | 55.9 | Low | 58.7 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 31% | 0.305 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -85 | -7.1 | 179.8 | -65.4 | -46.7 | 0 | 0 | 0 | 114.7 | R1116 L1191 S1192 P1193 V1197 | R1116-D1195 IonicContact CZ-OD1 2.83Å; R1116-D1195 IonicContact NH1-OD1 3.05Å; R1116-D1195 PolarHBondContact NH1-OD1 3.45Å; L1191-D1195 HydrophobicContact CB-CB 4.21Å; L1191-D1195 HydrophobicContact CD2-CB 4.33Å; S1192-D1195 VanDerWaalsContact CB-OD2 3.28Å; S1192-D1195 WeakPolarHBondContact CB-OD2 3.35Å; S1192-D1195 PolarHBondContact N-OD2 2.9Å; S1192-D1195 VanDerWaalsContact N-OD2 3.11Å; S1192-D1195 WeakPolarHBondContact O-CB 3.45Å; S1192-D1195 PolarHBondContact O-N 3.09Å; S1192-D1195 PolarHBondContact OG-N 2.84Å; S1192-D1195 PolarHBondContact OG-OD2 2.86Å; P1193-D1195 PolarHBondContact O-N 2.74Å; D1195-V1197 PolarHBondContact O-N 2.92Å |
| 1196 | C | 61.1 | Low | 61.6 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 122.5 | -174.3 | -159.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1197 | V | 72.9 | Confident | 64.4 | Low | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 143.1 | 160.4 | -174 | 0 | 0 | 0 | 0 | 108 | R1116 L1119 D1195 L1199 L1201 I1202 | R1116-V1197 HydrophobicContact CB-CG2 4.45Å; R1116-V1197 HydrophobicContact CG-CG2 3.79Å; L1119-V1197 HydrophobicContact CB-CG1 4.19Å; L1119-V1197 HydrophobicContact CB-CG2 4.37Å; D1195-V1197 PolarHBondContact O-N 2.92Å; V1197-L1199 PolarHBondContact O-N 3.35Å; V1197-L1201 HydrophobicContact CG1-CB 4.49Å; V1197-L1201 HydrophobicContact CG1-CD2 4.41Å; V1197-I1202 HydrophobicContact CB-CD1 4.11Å; V1197-I1202 HydrophobicContact CB-CG1 3.99Å; V1197-I1202 HydrophobicContact CG1-CG1 3.9Å |
| 1198 | D | 80 | Confident | 67 | Low | 93 Ų | 93 | 61.7 Ų | 61.7 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 126.7 | 173.2 | 170.5 | 24.9 | 0 | 0 | 0 | 110.7 | S1200 L1201 I1202 | D1198-S1200 PolarHBondContact O-N 3.22Å; D1198-S1200 PolarHBondContact OD1-N 3.08Å; D1198-S1200 VanDerWaalsContact OD2-CB 3.26Å; D1198-S1200 WeakPolarHBondContact OD2-CB 3.3Å; D1198-S1200 PolarHBondContact OD2-OG 3.25Å; D1198-L1201 HydrophobicContact CB-CB 4.31Å; D1198-L1201 WeakPolarHBondContact O-CA 3.38Å; D1198-L1201 WeakPolarHBondContact O-CB 3.37Å; D1198-L1201 PolarHBondContact O-N 3.24Å; D1198-I1202 PolarHBondContact O-N 3.17Å |
| 1199 | L | 82.6 | Confident | 69.6 | Low | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.6 | -33 | 176.9 | -176.7 | 58.1 | 0 | 0 | 0 | 112.4 | P1158 V1197 L1201 I1202 L1203 L1231 L1237 | P1158-L1199 HydrophobicContact CB-CB 4.49Å; P1158-L1199 HydrophobicContact CB-CD2 4.06Å; P1158-L1199 HydrophobicContact CG-CB 4.06Å; P1158-L1199 HydrophobicContact CG-CD2 4.27Å; V1197-L1199 PolarHBondContact O-N 3.35Å; L1199-L1201 PolarHBondContact O-N 3.08Å; L1199-I1202 PolarHBondContact O-N 2.9Å; L1199-L1203 HydrophobicContact CD1-CD1 4.22Å; L1199-L1203 HydrophobicContact CD1-CG 4.08Å; L1199-L1203 HydrophobicContact CG-CD1 4.03Å; L1199-L1203 HydrophobicContact CG-CG 4.36Å; L1199-L1203 WeakPolarHBondContact O-CB 3.37Å; L1199-L1203 VanDerWaalsContact O-CG 3.25Å; L1199-L1203 WeakPolarHBondContact O-CG 3.42Å; L1199-L1203 PolarHBondContact O-N 3.26Å; L1199-L1231 HydrophobicContact CD1-CD1 3.93Å; L1199-L1231 HydrophobicContact CD2-CD1 3.97Å; L1199-L1231 HydrophobicContact CD2-CD2 4.4Å; L1199-L1231 HydrophobicContact CD2-CG 4.47Å; L1199-L1237 HydrophobicContact CD2-CD1 3.59Å |
| 1200 | S | 82.9 | Confident | 71.9 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 174.6 | 101.1 | 0 | 0 | 0 | 0 | 111.5 | D1198 T1204 | D1198-S1200 PolarHBondContact O-N 3.22Å; D1198-S1200 PolarHBondContact OD1-N 3.08Å; D1198-S1200 VanDerWaalsContact OD2-CB 3.26Å; D1198-S1200 WeakPolarHBondContact OD2-CB 3.3Å; D1198-S1200 PolarHBondContact OD2-OG 3.25Å; S1200-T1204 WeakPolarHBondContact O-CB 3.09Å; S1200-T1204 PolarHBondContact O-N 2.79Å; S1200-T1204 PolarHBondContact O-OG1 2.85Å |
| 1201 | L | 85.9 | Confident | 74 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77.6 | -40.6 | 179 | -169.5 | 59.7 | 0 | 0 | 0 | 111.8 | L1119 V1197 D1198 L1199 L1203 T1204 H1205 | L1119-L1201 WeakPolarHBondContact O-CD2 3.37Å; L1119-L1201 VanDerWaalsContact O-CG 3.28Å; L1119-L1201 WeakPolarHBondContact O-CG 3.36Å; V1197-L1201 HydrophobicContact CG1-CB 4.49Å; V1197-L1201 HydrophobicContact CG1-CD2 4.41Å; D1198-L1201 HydrophobicContact CB-CB 4.31Å; D1198-L1201 WeakPolarHBondContact O-CA 3.38Å; D1198-L1201 WeakPolarHBondContact O-CB 3.37Å; D1198-L1201 PolarHBondContact O-N 3.24Å; L1199-L1201 PolarHBondContact O-N 3.08Å; L1201-L1203 VanDerWaalsContact C-N 3.34Å; L1201-L1203 PolarHBondContact O-N 2.84Å; L1201-T1204 PolarHBondContact O-N 3.16Å; L1201-T1204 VanDerWaalsContact O-N 3.16Å; L1201-H1205 PolarHBondContact O-CD2 3.04Å; L1201-H1205 VanDerWaalsContact O-CD2 3.24Å; L1201-H1205 PolarHBondContact O-N 3.39Å |
| 1202 | I | 85.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 171.8 | -59 | 167.6 | 0 | 0 | 0 | 110.3 | L1151 F1154 I1155 V1197 D1198 L1199 T1204 H1205 L1206 | L1151-I1202 HydrophobicContact CD1-CG2 4.18Å; F1154-I1202 HydrophobicContact CB-CD1 3.98Å; I1155-I1202 HydrophobicContact CG1-CG2 4.14Å; V1197-I1202 HydrophobicContact CB-CD1 4.11Å; V1197-I1202 HydrophobicContact CB-CG1 3.99Å; V1197-I1202 HydrophobicContact CG1-CG1 3.9Å; D1198-I1202 PolarHBondContact O-N 3.17Å; L1199-I1202 PolarHBondContact O-N 2.9Å; I1202-T1204 VanDerWaalsContact C-N 3.32Å; I1202-T1204 PolarHBondContact O-N 2.95Å; I1202-H1205 PolarHBondContact O-N 2.76Å; I1202-L1206 HydrophobicContact CG2-CD1 4.17Å; I1202-L1206 PolarHBondContact O-N 2.72Å |
| 1203 | L | 85.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | 177.6 | -67.8 | 171.9 | 0 | 0 | 0 | 112.2 | L1199 L1201 L1206 D1207 L1228 L1231 L1241 F1245 L1248 | L1199-L1203 HydrophobicContact CD1-CD1 4.22Å; L1199-L1203 HydrophobicContact CD1-CG 4.08Å; L1199-L1203 HydrophobicContact CG-CD1 4.03Å; L1199-L1203 HydrophobicContact CG-CG 4.36Å; L1199-L1203 WeakPolarHBondContact O-CB 3.37Å; L1199-L1203 VanDerWaalsContact O-CG 3.25Å; L1199-L1203 WeakPolarHBondContact O-CG 3.42Å; L1199-L1203 PolarHBondContact O-N 3.26Å; L1201-L1203 VanDerWaalsContact C-N 3.34Å; L1201-L1203 PolarHBondContact O-N 2.84Å; L1203-L1206 HydrophobicContact CD2-CD1 4.41Å; L1203-L1206 PolarHBondContact O-N 3.44Å; L1203-D1207 WeakPolarHBondContact O-CB 3.44Å; L1203-D1207 PolarHBondContact O-N 3.37Å; L1203-L1228 HydrophobicContact CD2-CD2 4.29Å; L1203-L1231 HydrophobicContact CD1-CD2 3.93Å; L1203-L1231 HydrophobicContact CD2-CD2 4.31Å; L1203-L1241 HydrophobicContact CD1-CD2 4Å; L1203-L1241 HydrophobicContact CD1-CG 4.37Å; L1203-F1245 HydrophobicContact CB-CD1 4.13Å; L1203-F1245 HydrophobicContact CB-CD2 3.72Å; L1203-F1245 HydrophobicContact CB-CE1 4.04Å; L1203-F1245 HydrophobicContact CB-CE2 3.62Å; L1203-F1245 HydrophobicContact CB-CG 3.98Å; L1203-F1245 HydrophobicContact CB-CZ 3.79Å; L1203-F1245 HydrophobicContact CD1-CD2 3.73Å; L1203-F1245 HydrophobicContact CD1-CE2 4.08Å; L1203-F1245 HydrophobicContact CD1-CG 4.4Å; L1203-F1245 HydrophobicContact CG-CD2 4.34Å; L1203-L1248 HydrophobicContact CD2-CD2 3.96Å |
| 1204 | T | 86.7 | Confident | 78.6 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68 | -37 | 174.6 | -49 | 0 | 0 | 0 | 0 | 111.8 | S1124 S1200 L1201 I1202 S1208 R1244 F1245 | S1124-T1204 WeakPolarHBondContact OG-CG2 3.45Å; S1200-T1204 WeakPolarHBondContact O-CB 3.09Å; S1200-T1204 PolarHBondContact O-N 2.79Å; S1200-T1204 PolarHBondContact O-OG1 2.85Å; L1201-T1204 PolarHBondContact O-N 3.16Å; L1201-T1204 VanDerWaalsContact O-N 3.16Å; I1202-T1204 VanDerWaalsContact C-N 3.32Å; I1202-T1204 PolarHBondContact O-N 2.95Å; T1204-S1208 WeakPolarHBondContact O-CB 3.3Å; T1204-S1208 PolarHBondContact O-N 3.32Å; T1204-R1244 PolarHBondContact OG1-NH2 3.31Å; T1204-R1244 VanDerWaalsContact OG1-NH2 3.17Å; T1204-F1245 WeakPolarHBondContact OG1-CZ 3.46Å |
| 1205 | H | 87.1 | Confident | 78.9 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 172.2 | -78.1 | -70 | 0 | 0 | 0 | 112.2 | L1119 R1121 L1133 L1201 I1202 S1208 L1209 | L1119-H1205 HydrophobicContact CD2-CB 3.68Å; L1119-H1205 PolarHBondContact O-CD2 3.27Å; L1119-H1205 VanDerWaalsContact O-CD2 3.23Å; L1119-H1205 PolarHBondContact O-NE2 2.97Å; L1119-H1205 VanDerWaalsContact O-NE2 3.08Å; R1121-H1205 PolarHBondContact O-CE1 3.21Å; R1121-H1205 PolarHBondContact O-NE2 3.27Å; L1133-H1205 HydrophobicContact CD1-CB 4.41Å; L1201-H1205 PolarHBondContact O-CD2 3.04Å; L1201-H1205 VanDerWaalsContact O-CD2 3.24Å; L1201-H1205 PolarHBondContact O-N 3.39Å; I1202-H1205 PolarHBondContact O-N 2.76Å; H1205-S1208 PolarHBondContact O-N 3.43Å; H1205-L1209 WeakPolarHBondContact O-CG 3.46Å; H1205-L1209 PolarHBondContact O-N 2.89Å |
| 1206 | L | 86 | Confident | 79.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.9 | -83.1 | 168.2 | 0 | 0 | 0 | 112.8 | L1151 I1155 I1202 L1203 L1209 R1210 L1218 L1219 L1248 | L1151-L1206 HydrophobicContact CD2-CD2 3.88Å; I1155-L1206 HydrophobicContact CD1-CD1 4Å; I1155-L1206 HydrophobicContact CG1-CD1 4.46Å; I1202-L1206 HydrophobicContact CG2-CD1 4.17Å; I1202-L1206 PolarHBondContact O-N 2.72Å; L1203-L1206 HydrophobicContact CD2-CD1 4.41Å; L1203-L1206 PolarHBondContact O-N 3.44Å; L1206-L1209 PolarHBondContact O-N 2.9Å; L1206-R1210 WeakPolarHBondContact O-CB 3.4Å; L1206-R1210 PolarHBondContact O-N 3.3Å; L1206-L1218 HydrophobicContact CD2-CD2 4.46Å; L1206-L1219 HydrophobicContact CD2-CD2 4.44Å; L1206-L1248 HydrophobicContact CB-CD2 3.85Å |
| 1207 | D | 85 | Confident | 79.9 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.4 | -31.4 | 178.2 | -174.4 | 35.6 | 0 | 0 | 0 | 112.1 | L1203 R1210 R1211 F1245 L1248 | L1203-D1207 WeakPolarHBondContact O-CB 3.44Å; L1203-D1207 PolarHBondContact O-N 3.37Å; D1207-R1210 PolarHBondContact O-N 2.92Å; D1207-R1210 IonicContact OD1-CZ 2.71Å; D1207-R1210 IonicContact OD1-NE 2.93Å; D1207-R1210 PolarHBondContact OD1-NE 2.96Å; D1207-R1210 IonicContact OD1-NH2 3.21Å; D1207-R1210 PolarHBondContact OD1-NH2 3.12Å; D1207-R1211 WeakPolarHBondContact O-CB 3.23Å; D1207-R1211 WeakPolarHBondContact O-CD 3.37Å; D1207-R1211 WeakPolarHBondContact O-CG 3.34Å; D1207-R1211 PolarHBondContact O-N 3.27Å; D1207-R1211 IonicContact OD1-CZ 2.66Å; D1207-R1211 IonicContact OD1-NE 3.86Å; D1207-R1211 PolarHBondContact OD1-NE 3.41Å; D1207-R1211 IonicContact OD1-NH2 3.42Å; D1207-R1211 IonicContact OD2-CZ 3.88Å; D1207-R1211 IonicContact OD2-NE 3.79Å; D1207-R1211 PolarHBondContact OD2-NE 3Å; D1207-R1211 IonicContact OD2-NH2 2.69Å; D1207-R1211 PolarHBondContact OD2-NH2 2.64Å; D1207-F1245 HydrophobicContact CB-CD1 3.96Å; D1207-F1245 HydrophobicContact CB-CE1 4.16Å; D1207-L1248 HydrophobicContact CB-CD2 4.29Å |
| 1208 | S | 85.2 | Confident | 80.3 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 168 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | S1124 N1125 T1204 H1205 R1210 R1211 N1212 | S1124-S1208 VanDerWaalsContact O-CB 3.26Å; S1124-S1208 WeakPolarHBondContact O-CB 3.4Å; S1124-S1208 PolarHBondContact O-OG 2.88Å; N1125-S1208 PolarHBondContact OD1-OG 3.3Å; T1204-S1208 WeakPolarHBondContact O-CB 3.3Å; T1204-S1208 PolarHBondContact O-N 3.32Å; H1205-S1208 PolarHBondContact O-N 3.43Å; S1208-R1210 PolarHBondContact O-N 2.61Å; S1208-R1211 PolarHBondContact O-N 2.87Å; S1208-N1212 VanDerWaalsContact O-CB 3.27Å; S1208-N1212 WeakPolarHBondContact O-CB 3.41Å; S1208-N1212 PolarHBondContact O-N 3.17Å; S1208-N1212 PolarHBondContact O-ND2 3.26Å; S1208-N1212 PolarHBondContact OG-ND2 3.16Å; S1208-N1212 VanDerWaalsContact OG-ND2 3.1Å |
| 1209 | L | 84.5 | Confident | 80.2 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.3 | -52.8 | 172.6 | -70.6 | 167.2 | 0 | 0 | 0 | 109.7 | M1130 L1133 H1134 H1205 L1206 R1211 N1212 C1213 I1216 | M1130-L1209 HydrophobicContact CG-CD2 4.23Å; L1133-L1209 HydrophobicContact CB-CD1 4.11Å; L1133-L1209 HydrophobicContact CB-CD2 4.46Å; H1134-L1209 HydrophobicContact CB-CD2 3.78Å; H1205-L1209 WeakPolarHBondContact O-CG 3.46Å; H1205-L1209 PolarHBondContact O-N 2.89Å; L1206-L1209 PolarHBondContact O-N 2.9Å; L1209-R1211 VanDerWaalsContact C-N 3.28Å; L1209-R1211 PolarHBondContact O-N 3.4Å; L1209-N1212 PolarHBondContact O-N 3.05Å; L1209-C1213 VanDerWaalsContact O-CB 3.31Å; L1209-C1213 WeakPolarHBondContact O-CB 3.34Å; L1209-C1213 PolarHBondContact O-N 3.17Å; L1209-I1216 HydrophobicContact CB-CD1 4.22Å; L1209-I1216 WeakPolarHBondContact O-CD1 3.47Å |
| 1210 | R | 84 | Confident | 80 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.2 | -41.2 | 177.8 | -169.6 | -165.5 | 64.7 | 101.5 | 5.9 | 113.9 | L1206 D1207 S1208 I1216 L1219 D1247 L1251 | L1206-R1210 WeakPolarHBondContact O-CB 3.4Å; L1206-R1210 PolarHBondContact O-N 3.3Å; D1207-R1210 PolarHBondContact O-N 2.92Å; D1207-R1210 IonicContact OD1-CZ 2.71Å; D1207-R1210 IonicContact OD1-NE 2.93Å; D1207-R1210 PolarHBondContact OD1-NE 2.96Å; D1207-R1210 IonicContact OD1-NH2 3.21Å; D1207-R1210 PolarHBondContact OD1-NH2 3.12Å; S1208-R1210 PolarHBondContact O-N 2.61Å; R1210-I1216 VanDerWaalsContact CA-CD1 3.46Å; R1210-L1219 HydrophobicContact CB-CD1 4.19Å; R1210-L1219 HydrophobicContact CG-CD1 4.02Å; R1210-D1247 IonicContact CZ-OD2 2.64Å; R1210-D1247 IonicContact NH1-OD2 3.41Å; R1210-D1247 PolarHBondContact NH1-OD2 3.47Å; R1210-D1247 IonicContact NH2-OD2 3.48Å; R1210-D1247 PolarHBondContact NH2-OD2 2.89Å; R1210-L1251 HydrophobicContact CG-CD1 4.04Å |
| 1211 | R | 83.9 | Confident | 79.8 | Confident | 154 Ų | 154 | 47.4 Ų | 47.4 | 58% | 0.581 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -79.9 | -34.4 | -178.5 | -68.3 | 167.5 | -167.7 | -113.3 | 6 | 113.3 | D1207 S1208 L1209 | D1207-R1211 WeakPolarHBondContact O-CB 3.23Å; D1207-R1211 WeakPolarHBondContact O-CD 3.37Å; D1207-R1211 WeakPolarHBondContact O-CG 3.34Å; D1207-R1211 PolarHBondContact O-N 3.27Å; D1207-R1211 IonicContact OD1-CZ 2.66Å; D1207-R1211 IonicContact OD1-NE 3.86Å; D1207-R1211 PolarHBondContact OD1-NE 3.41Å; D1207-R1211 IonicContact OD1-NH2 3.42Å; D1207-R1211 IonicContact OD2-CZ 3.88Å; D1207-R1211 IonicContact OD2-NE 3.79Å; D1207-R1211 PolarHBondContact OD2-NE 3Å; D1207-R1211 IonicContact OD2-NH2 2.69Å; D1207-R1211 PolarHBondContact OD2-NH2 2.64Å; S1208-R1211 PolarHBondContact O-N 2.87Å; L1209-R1211 VanDerWaalsContact C-N 3.28Å; L1209-R1211 PolarHBondContact O-N 3.4Å |
| 1212 | N | 82.6 | Confident | 79.6 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -102.5 | -25 | -168.8 | -63.8 | -51.3 | 0 | 0 | 0 | 114.1 | M1130 S1208 L1209 | M1130-N1212 HydrophobicContact CE-CB 4.04Å; M1130-N1212 HydrophobicContact SD-CB 3.83Å; S1208-N1212 VanDerWaalsContact O-CB 3.27Å; S1208-N1212 WeakPolarHBondContact O-CB 3.41Å; S1208-N1212 PolarHBondContact O-N 3.17Å; S1208-N1212 PolarHBondContact O-ND2 3.26Å; S1208-N1212 PolarHBondContact OG-ND2 3.16Å; S1208-N1212 VanDerWaalsContact OG-ND2 3.1Å; L1209-N1212 PolarHBondContact O-N 3.05Å |
| 1213 | C | 77.3 | Confident | 79.4 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | trans | -107.5 | 140.3 | -173.6 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | L1209 I1216 | L1209-C1213 VanDerWaalsContact O-CB 3.31Å; L1209-C1213 WeakPolarHBondContact O-CB 3.34Å; L1209-C1213 PolarHBondContact O-N 3.17Å; C1213-I1216 HydrophobicContact CB-CD1 3.91Å; C1213-I1216 HydrophobicContact CB-CG1 4.02Å | ||
| 1214 | K | 66 | Low | 79.3 | Confident | 190 Ų | 190 | 55.4 Ų | 55.4 | 83% | 0.826 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -94.1 | 146 | 174.9 | -63.2 | 177.7 | -177.5 | 174.6 | 0 | 110 | ||
| 1215 | N | 57.2 | Low | 79.1 | Confident | 144 Ų | 144 | 55.4 Ų | 55.4 | 77% | 0.77 | 27% | 0.27 | S | S | * | . | trans | 62.5 | 55.6 | 176.5 | -56.7 | -7.1 | 0 | 0 | 0 | 115 | S1217 | N1215-S1217 PolarHBondContact O-N 3.49Å; N1215-S1217 VanDerWaalsContact O-N 3.08Å | ||
| 1216 | I | 66.5 | Low | 78.9 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | trans | -85.1 | 78 | 178.2 | -49 | 176 | 0 | 0 | 0 | 110.4 | L1209 R1210 C1213 L1218 L1219 | L1209-I1216 HydrophobicContact CB-CD1 4.22Å; L1209-I1216 WeakPolarHBondContact O-CD1 3.47Å; R1210-I1216 VanDerWaalsContact CA-CD1 3.46Å; C1213-I1216 HydrophobicContact CB-CD1 3.91Å; C1213-I1216 HydrophobicContact CB-CG1 4.02Å; I1216-L1218 HydrophobicContact CG2-CB 3.83Å; I1216-L1218 PolarHBondContact O-N 3.08Å; I1216-L1219 HydrophobicContact CB-CD1 4.48Å; I1216-L1219 HydrophobicContact CG2-CB 4.5Å; I1216-L1219 HydrophobicContact CG2-CD1 4.2Å; I1216-L1219 HydrophobicContact CG2-CG 3.91Å; I1216-L1219 PolarHBondContact O-N 3.22Å; I1216-L1219 VanDerWaalsContact O-N 3.08Å | ||
| 1217 | S | 70.8 | Confident | 78.8 | Confident | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -60.1 | -20.1 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | P1139 N1215 L1219 Q1220 D1221 | P1139-S1217 WeakPolarHBondContact CB-OG 3.26Å; P1139-S1217 WeakPolarHBondContact CD-OG 3.18Å; N1215-S1217 PolarHBondContact O-N 3.49Å; N1215-S1217 VanDerWaalsContact O-N 3.08Å; S1217-L1219 PolarHBondContact O-N 3.15Å; S1217-Q1220 CarbonylContact O-C 3.18Å; S1217-Q1220 WeakPolarHBondContact O-CA 3.37Å; S1217-Q1220 WeakPolarHBondContact O-CB 3.31Å; S1217-Q1220 PolarHBondContact O-N 3.46Å; S1217-D1221 PolarHBondContact O-N 2.77Å |
| 1218 | L | 80.4 | Confident | 78.6 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.7 | 170.5 | 174.8 | 76.6 | 0 | 0 | 0 | 113.1 | F1147 S1148 L1151 L1206 I1216 Q1220 D1221 I1224 | F1147-L1218 HydrophobicContact CD1-CD1 4.08Å; F1147-L1218 HydrophobicContact CD1-CD2 4.31Å; F1147-L1218 HydrophobicContact CE1-CD1 4.33Å; F1147-L1218 HydrophobicContact CE1-CD2 3.78Å; S1148-L1218 WeakPolarHBondContact OG-CD1 3.32Å; L1151-L1218 HydrophobicContact CD2-CD1 4.39Å; L1151-L1218 HydrophobicContact CD2-CD2 3.92Å; L1206-L1218 HydrophobicContact CD2-CD2 4.46Å; I1216-L1218 HydrophobicContact CG2-CB 3.83Å; I1216-L1218 PolarHBondContact O-N 3.08Å; L1218-Q1220 PolarHBondContact O-N 2.87Å; L1218-D1221 VanDerWaalsContact O-CB 3.3Å; L1218-D1221 WeakPolarHBondContact O-CB 3.32Å; L1218-D1221 PolarHBondContact O-N 3.24Å; L1218-I1224 HydrophobicContact CD1-CD1 4.38Å; L1218-I1224 HydrophobicContact CD1-CG1 3.96Å; L1218-I1224 HydrophobicContact CG-CG1 4.44Å; L1218-I1224 WeakPolarHBondContact O-CB 3.36Å; L1218-I1224 WeakPolarHBondContact O-CG2 3.45Å |
| 1219 | L | 78.8 | Confident | 78.5 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -81.6 | -4.6 | 175.3 | -66.8 | 175.5 | 0 | 0 | 0 | 112.7 | L1206 R1210 I1216 S1217 I1224 Q1225 L1228 L1248 L1251 | L1206-L1219 HydrophobicContact CD2-CD2 4.44Å; R1210-L1219 HydrophobicContact CB-CD1 4.19Å; R1210-L1219 HydrophobicContact CG-CD1 4.02Å; I1216-L1219 HydrophobicContact CB-CD1 4.48Å; I1216-L1219 HydrophobicContact CG2-CB 4.5Å; I1216-L1219 HydrophobicContact CG2-CD1 4.2Å; I1216-L1219 HydrophobicContact CG2-CG 3.91Å; I1216-L1219 PolarHBondContact O-N 3.22Å; I1216-L1219 VanDerWaalsContact O-N 3.08Å; S1217-L1219 PolarHBondContact O-N 3.15Å; L1219-I1224 HydrophobicContact CD2-CG2 4.33Å; L1219-Q1225 PolarHBondContact O-NE2 3.18Å; L1219-L1228 HydrophobicContact CD2-CD1 4.09Å; L1219-L1248 HydrophobicContact CD1-CD1 4.17Å; L1219-L1248 HydrophobicContact CD2-CD1 3.88Å; L1219-L1251 HydrophobicContact CD1-CD1 3.95Å |
| 1220 | Q | 77.5 | Confident | 78.2 | Confident | 153 Ų | 153 | 62.1 Ų | 62.1 | 72% | 0.715 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -107.9 | 8.4 | 172 | -57.3 | -179.9 | -54.6 | 0 | 0 | 111.7 | S1217 L1218 | S1217-Q1220 CarbonylContact O-C 3.18Å; S1217-Q1220 WeakPolarHBondContact O-CA 3.37Å; S1217-Q1220 WeakPolarHBondContact O-CB 3.31Å; S1217-Q1220 PolarHBondContact O-N 3.46Å; L1218-Q1220 PolarHBondContact O-N 2.87Å |
| 1221 | D | 80.1 | Confident | 78 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | trans | -79.9 | 126 | 177.8 | -172.5 | -65.5 | 0 | 0 | 0 | 109.4 | S1148 S1217 L1218 D1223 I1224 Q1225 | S1148-D1221 VanDerWaalsContact CB-CG 3.44Å; S1148-D1221 WeakPolarHBondContact CB-OD2 3.42Å; S1148-D1221 VanDerWaalsContact OG-CG 3.29Å; S1148-D1221 PolarHBondContact OG-OD2 3.42Å; S1217-D1221 PolarHBondContact O-N 2.77Å; L1218-D1221 VanDerWaalsContact O-CB 3.3Å; L1218-D1221 WeakPolarHBondContact O-CB 3.32Å; L1218-D1221 PolarHBondContact O-N 3.24Å; D1221-D1223 PolarHBondContact O-N 3.4Å; D1221-D1223 VanDerWaalsContact O-N 3.16Å; D1221-D1223 PolarHBondContact OD1-N 3.39Å; D1221-I1224 HydrophobicContact CB-CB 4.25Å; D1221-I1224 HydrophobicContact CB-CG1 4.1Å; D1221-I1224 WeakPolarHBondContact O-CA 3.35Å; D1221-I1224 PolarHBondContact O-N 2.84Å; D1221-Q1225 PolarHBondContact O-N 2.92Å | ||
| 1222 | D | 81.2 | Confident | 77.6 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 68% | 0.684 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -55 | -36.1 | -172.6 | -65.3 | -42.8 | 0 | 0 | 0 | 113 | I1224 S1226 | D1222-I1224 VanDerWaalsContact C-N 3.35Å; D1222-S1226 VanDerWaalsContact O-CB 3.23Å; D1222-S1226 WeakPolarHBondContact O-CB 3.48Å; D1222-S1226 PolarHBondContact O-N 2.94Å; D1222-S1226 PolarHBondContact O-OG 3.13Å |
| 1223 | D | 81.1 | Confident | 77.3 | Confident | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.7 | -33.5 | 178.5 | -75.7 | -35.3 | 0 | 0 | 0 | 111.5 | N1149 C1152 D1221 A1227 | N1149-D1223 PolarHBondContact ND2-OD2 3.05Å; C1152-D1223 HydrophobicContact CB-CB 4.14Å; C1152-D1223 PolarHBondContact SG-O 3Å; D1221-D1223 PolarHBondContact O-N 3.4Å; D1221-D1223 VanDerWaalsContact O-N 3.16Å; D1221-D1223 PolarHBondContact OD1-N 3.39Å; D1223-A1227 VanDerWaalsContact O-CB 3.31Å; D1223-A1227 WeakPolarHBondContact O-CB 3.49Å; D1223-A1227 PolarHBondContact O-N 3.31Å; D1223-A1227 VanDerWaalsContact O-N 3.16Å |
| 1224 | I | 83.4 | Confident | 77 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -81 | -42.5 | 178.7 | -61 | -64.9 | 0 | 0 | 0 | 110.9 | L1151 C1152 I1155 L1218 L1219 D1221 D1222 A1227 L1228 | L1151-I1224 HydrophobicContact CB-CD1 4.11Å; L1151-I1224 HydrophobicContact CD2-CD1 4.22Å; L1151-I1224 HydrophobicContact CG-CD1 4.16Å; C1152-I1224 HydrophobicContact CB-CD1 4.12Å; I1155-I1224 HydrophobicContact CD1-CD1 4.08Å; L1218-I1224 HydrophobicContact CD1-CD1 4.38Å; L1218-I1224 HydrophobicContact CD1-CG1 3.96Å; L1218-I1224 HydrophobicContact CG-CG1 4.44Å; L1218-I1224 WeakPolarHBondContact O-CB 3.36Å; L1218-I1224 WeakPolarHBondContact O-CG2 3.45Å; L1219-I1224 HydrophobicContact CD2-CG2 4.33Å; D1221-I1224 HydrophobicContact CB-CB 4.25Å; D1221-I1224 HydrophobicContact CB-CG1 4.1Å; D1221-I1224 WeakPolarHBondContact O-CA 3.35Å; D1221-I1224 PolarHBondContact O-N 2.84Å; D1222-I1224 VanDerWaalsContact C-N 3.35Å; I1224-A1227 PolarHBondContact O-N 3.12Å; I1224-L1228 HydrophobicContact CG2-CD1 3.92Å; I1224-L1228 HydrophobicContact CG2-CG 4.32Å; I1224-L1228 WeakPolarHBondContact O-CB 3.46Å; I1224-L1228 WeakPolarHBondContact O-CG 3.46Å; I1224-L1228 PolarHBondContact O-N 2.98Å |
| 1225 | Q | 83.1 | Confident | 77 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 171.5 | -83 | -75.9 | -36.7 | 0 | 0 | 110.6 | L1219 D1221 A1227 L1228 Q1229 L1251 V1252 | L1219-Q1225 PolarHBondContact O-NE2 3.18Å; D1221-Q1225 PolarHBondContact O-N 2.92Å; Q1225-A1227 PolarHBondContact O-N 2.9Å; Q1225-L1228 PolarHBondContact O-N 2.89Å; Q1225-Q1229 WeakPolarHBondContact O-CB 3.46Å; Q1225-Q1229 PolarHBondContact O-N 3.33Å; Q1225-L1251 PolarHBondContact NE2-O 3.09Å; Q1225-V1252 VanDerWaalsContact OE1-CA 3.32Å |
| 1226 | S | 82.3 | Confident | 77.3 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | D1222 S1230 | D1222-S1226 VanDerWaalsContact O-CB 3.23Å; D1222-S1226 WeakPolarHBondContact O-CB 3.48Å; D1222-S1226 PolarHBondContact O-N 2.94Å; D1222-S1226 PolarHBondContact O-OG 3.13Å; S1226-S1230 WeakPolarHBondContact O-CB 3.29Å; S1226-S1230 PolarHBondContact O-N 2.66Å |
| 1227 | A | 83.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1155 D1223 I1224 Q1225 S1230 L1231 | I1155-A1227 HydrophobicContact CB-CB 4.16Å; I1155-A1227 HydrophobicContact CD1-CB 4.4Å; I1155-A1227 HydrophobicContact CG2-CB 3.76Å; D1223-A1227 VanDerWaalsContact O-CB 3.31Å; D1223-A1227 WeakPolarHBondContact O-CB 3.49Å; D1223-A1227 PolarHBondContact O-N 3.31Å; D1223-A1227 VanDerWaalsContact O-N 3.16Å; I1224-A1227 PolarHBondContact O-N 3.12Å; Q1225-A1227 PolarHBondContact O-N 2.9Å; A1227-S1230 PolarHBondContact O-N 3.09Å; A1227-S1230 PolarHBondContact O-OG 2.74Å; A1227-L1231 WeakPolarHBondContact O-CB 3.21Å; A1227-L1231 PolarHBondContact O-N 3.3Å |
| 1228 | L | 81.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.9 | -69.1 | 174.6 | 0 | 0 | 0 | 112.5 | L1203 L1219 I1224 Q1225 L1231 A1232 L1249 V1252 | L1203-L1228 HydrophobicContact CD2-CD2 4.29Å; L1219-L1228 HydrophobicContact CD2-CD1 4.09Å; I1224-L1228 HydrophobicContact CG2-CD1 3.92Å; I1224-L1228 HydrophobicContact CG2-CG 4.32Å; I1224-L1228 WeakPolarHBondContact O-CB 3.46Å; I1224-L1228 WeakPolarHBondContact O-CG 3.46Å; I1224-L1228 PolarHBondContact O-N 2.98Å; Q1225-L1228 PolarHBondContact O-N 2.89Å; L1228-L1231 WeakPolarHBondContact O-CB 3.36Å; L1228-L1231 PolarHBondContact O-N 2.75Å; L1228-A1232 WeakPolarHBondContact O-CB 3.35Å; L1228-A1232 PolarHBondContact O-N 3.41Å; L1228-L1249 HydrophobicContact CD2-CD2 4.35Å; L1228-V1252 HydrophobicContact CB-CG2 3.64Å |
| 1229 | Q | 81.3 | Confident | 76.8 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 173.7 | -166.2 | 179.7 | 48.4 | 0 | 0 | 111 | Q1225 L1231 A1232 V1233 V1252 | Q1225-Q1229 WeakPolarHBondContact O-CB 3.46Å; Q1225-Q1229 PolarHBondContact O-N 3.33Å; Q1229-L1231 PolarHBondContact O-N 2.86Å; Q1229-A1232 PolarHBondContact O-N 3.13Å; Q1229-V1233 WeakPolarHBondContact O-CG2 3.19Å; Q1229-V1233 PolarHBondContact O-N 2.86Å; Q1229-V1252 HydrophobicContact CB-CG1 3.57Å; Q1229-V1252 HydrophobicContact CG-CG1 3.75Å |
| 1230 | S | 79.9 | Confident | 76.6 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -32 | 176.2 | 80.9 | 0 | 0 | 0 | 0 | 112.1 | N1156 L1159 S1226 A1227 S1234 | N1156-S1230 PolarHBondContact OD1-OG 2.91Å; L1159-S1230 WeakPolarHBondContact CD1-OG 3.44Å; S1226-S1230 WeakPolarHBondContact O-CB 3.29Å; S1226-S1230 PolarHBondContact O-N 2.66Å; A1227-S1230 PolarHBondContact O-N 3.09Å; A1227-S1230 PolarHBondContact O-OG 2.74Å; S1230-S1234 WeakPolarHBondContact O-CB 3.05Å; S1230-S1234 PolarHBondContact O-N 2.7Å |
| 1231 | L | 79.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.4 | -40.6 | 176.6 | -141.8 | 120.4 | 0 | 0 | 0 | 113 | I1155 L1159 L1199 L1203 A1227 L1228 Q1229 L1237 L1249 | I1155-L1231 HydrophobicContact CG2-CD1 3.5Å; L1159-L1231 HydrophobicContact CD1-CD1 4.14Å; L1199-L1231 HydrophobicContact CD1-CD1 3.93Å; L1199-L1231 HydrophobicContact CD2-CD1 3.97Å; L1199-L1231 HydrophobicContact CD2-CD2 4.4Å; L1199-L1231 HydrophobicContact CD2-CG 4.47Å; L1203-L1231 HydrophobicContact CD1-CD2 3.93Å; L1203-L1231 HydrophobicContact CD2-CD2 4.31Å; A1227-L1231 WeakPolarHBondContact O-CB 3.21Å; A1227-L1231 PolarHBondContact O-N 3.3Å; L1228-L1231 WeakPolarHBondContact O-CB 3.36Å; L1228-L1231 PolarHBondContact O-N 2.75Å; Q1229-L1231 PolarHBondContact O-N 2.86Å; L1231-L1237 HydrophobicContact CD2-CD1 3.81Å; L1231-L1237 HydrophobicContact CD2-CD2 3.56Å; L1231-L1237 HydrophobicContact CD2-CG 4.35Å; L1231-L1237 HydrophobicContact CG-CD1 4.06Å; L1231-L1237 HydrophobicContact CG-CD2 4.42Å; L1231-L1249 HydrophobicContact CD2-CD2 4.24Å |
| 1232 | A | 76.3 | Confident | 76.4 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1228 Q1229 K1242 L1249 | L1228-A1232 WeakPolarHBondContact O-CB 3.35Å; L1228-A1232 PolarHBondContact O-N 3.41Å; Q1229-A1232 PolarHBondContact O-N 3.13Å; A1232-K1242 PolarHBondContact O-NZ 2.78Å; A1232-L1249 HydrophobicContact CB-CB 4.46Å; A1232-L1249 HydrophobicContact CB-CD2 4.32Å |
| 1233 | V | 75.6 | Confident | 76.3 | Confident | 115 Ų | 115 | 53.6 Ų | 53.6 | 70% | 0.697 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -75.7 | -30.9 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | Q1229 | Q1229-V1233 WeakPolarHBondContact O-CG2 3.19Å; Q1229-V1233 PolarHBondContact O-N 2.86Å |
| 1234 | S | 70.2 | Confident | 76.3 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -55.3 | 125.9 | -176.2 | 176.8 | 0 | 0 | 0 | 0 | 113.3 | L1159 S1230 K1236 K1242 | L1159-S1234 WeakPolarHBondContact CD2-OG 3.4Å; S1230-S1234 WeakPolarHBondContact O-CB 3.05Å; S1230-S1234 PolarHBondContact O-N 2.7Å; S1234-K1236 PolarHBondContact O-N 2.9Å; S1234-K1236 WeakPolarHBondContact OG-CB 3.34Å; S1234-K1236 PolarHBondContact OG-N 3.45Å; S1234-K1242 WeakPolarHBondContact O-CE 3.26Å; S1234-K1242 PolarHBondContact O-NZ 2.78Å | ||
| 1235 | P | 66.4 | Low | 76.3 | Confident | 127 Ų | 127 | 57 Ų | 57 | 83% | 0.825 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.1 | 173.2 | 32.4 | -35.7 | 0 | 0 | 0 | 112.9 | L1237 | P1235-L1237 VanDerWaalsContact C-N 3.34Š|
| 1236 | K | 63.6 | Low | 76.2 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -19 | 178.5 | -56.6 | -177.8 | 179.9 | -175.1 | 0 | 113.3 | L1159 S1161 T1162 S1234 | L1159-K1236 PolarHBondContact O-NZ 3.03Å; S1161-K1236 PolarHBondContact O-NZ 3.28Å; T1162-K1236 VanDerWaalsContact CG2-NZ 3.28Å; T1162-K1236 PolarHBondContact OG1-NZ 3.37Å; S1234-K1236 PolarHBondContact O-N 2.9Å; S1234-K1236 WeakPolarHBondContact OG-CB 3.34Å; S1234-K1236 PolarHBondContact OG-N 3.45Å |
| 1237 | L | 66.5 | Low | 76.3 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -79.7 | 129.2 | -176.5 | -141.1 | 80.2 | 0 | 0 | 0 | 110.7 | L1199 L1231 P1235 L1241 K1242 | L1199-L1237 HydrophobicContact CD2-CD1 3.59Å; L1231-L1237 HydrophobicContact CD2-CD1 3.81Å; L1231-L1237 HydrophobicContact CD2-CD2 3.56Å; L1231-L1237 HydrophobicContact CD2-CG 4.35Å; L1231-L1237 HydrophobicContact CG-CD1 4.06Å; L1231-L1237 HydrophobicContact CG-CD2 4.42Å; P1235-L1237 VanDerWaalsContact C-N 3.34Å; L1237-L1241 HydrophobicContact CD1-CD2 3.95Å; L1237-L1241 HydrophobicContact CD2-CB 4.26Å; L1237-L1241 HydrophobicContact CD2-CD2 4Å; L1237-L1241 HydrophobicContact CD2-CG 4.45Å; L1237-L1241 HydrophobicContact CG-CB 4.31Å; L1237-L1241 HydrophobicContact CG-CD2 3.83Å; L1237-K1242 HydrophobicContact CB-CG 4.2Å; L1237-K1242 HydrophobicContact CD2-CG 3.67Å; L1237-K1242 HydrophobicContact CG-CG 4.45Å |
| 1238 | S | 69.9 | Low | 76.2 | Confident | 62 Ų | 62 | 60 Ų | 60 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | trans | -55.3 | 135.7 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | N1240 L1241 K1242 | S1238-N1240 PolarHBondContact O-N 3.32Å; S1238-L1241 WeakPolarHBondContact O-CA 3.18Å; S1238-L1241 VanDerWaalsContact O-CB 3.29Å; S1238-L1241 WeakPolarHBondContact O-CB 3.37Å; S1238-L1241 PolarHBondContact O-N 3.49Å; S1238-K1242 PolarHBondContact O-N 3.11Å | ||
| 1239 | P | 70.3 | Confident | 76.2 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58 | -39.4 | 179.7 | 22.7 | -32.9 | 0 | 0 | 0 | 111.6 | L1241 K1242 D1243 | P1239-L1241 PolarHBondContact O-N 2.78Å; P1239-L1241 VanDerWaalsContact O-N 3.08Å; P1239-K1242 WeakPolarHBondContact O-CA 3.43Å; P1239-K1242 PolarHBondContact O-N 3.03Å; P1239-D1243 PolarHBondContact O-N 2.9Å |
| 1240 | N | 74.9 | Confident | 76.2 | Confident | 124 Ų | 124 | 62.1 Ų | 62.1 | 66% | 0.663 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.9 | -27.6 | 174.8 | -59.5 | -2.6 | 0 | 0 | 0 | 113.1 | S1238 R1244 | S1238-N1240 PolarHBondContact O-N 3.32Å; N1240-R1244 VanDerWaalsContact O-CB 3.23Å; N1240-R1244 WeakPolarHBondContact O-CB 3.37Å; N1240-R1244 PolarHBondContact O-N 3.07Å |
| 1241 | L | 76.4 | Confident | 76 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -81.5 | -38.7 | 176 | -152.4 | 76.8 | 0 | 0 | 0 | 111.4 | L1203 L1237 S1238 P1239 F1245 | L1203-L1241 HydrophobicContact CD1-CD2 4Å; L1203-L1241 HydrophobicContact CD1-CG 4.37Å; L1237-L1241 HydrophobicContact CD1-CD2 3.95Å; L1237-L1241 HydrophobicContact CD2-CB 4.26Å; L1237-L1241 HydrophobicContact CD2-CD2 4Å; L1237-L1241 HydrophobicContact CD2-CG 4.45Å; L1237-L1241 HydrophobicContact CG-CB 4.31Å; L1237-L1241 HydrophobicContact CG-CD2 3.83Å; S1238-L1241 WeakPolarHBondContact O-CA 3.18Å; S1238-L1241 VanDerWaalsContact O-CB 3.29Å; S1238-L1241 WeakPolarHBondContact O-CB 3.37Å; S1238-L1241 PolarHBondContact O-N 3.49Å; P1239-L1241 PolarHBondContact O-N 2.78Å; P1239-L1241 VanDerWaalsContact O-N 3.08Å; L1241-F1245 HydrophobicContact CD1-CD2 4.28Å; L1241-F1245 HydrophobicContact CD1-CE2 3.8Å; L1241-F1245 HydrophobicContact CG-CD2 4.05Å; L1241-F1245 HydrophobicContact CG-CE2 4.08Å; L1241-F1245 WeakPolarHBondContact O-CD2 3.47Å; L1241-F1245 PolarHBondContact O-N 3.05Å |
| 1242 | K | 77.7 | Confident | 75.6 | Confident | 55 Ų | 55 | 65 Ų | 65 | 24% | 0.239 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.3 | -66.1 | -166.4 | -177.3 | -167.2 | 0 | 111.3 | A1232 S1234 L1237 S1238 P1239 F1245 S1246 L1249 | A1232-K1242 PolarHBondContact O-NZ 2.78Å; S1234-K1242 WeakPolarHBondContact O-CE 3.26Å; S1234-K1242 PolarHBondContact O-NZ 2.78Å; L1237-K1242 HydrophobicContact CB-CG 4.2Å; L1237-K1242 HydrophobicContact CD2-CG 3.67Å; L1237-K1242 HydrophobicContact CG-CG 4.45Å; S1238-K1242 PolarHBondContact O-N 3.11Å; P1239-K1242 WeakPolarHBondContact O-CA 3.43Å; P1239-K1242 PolarHBondContact O-N 3.03Å; K1242-F1245 CarbonylContact O-C 3.58Å; K1242-F1245 PolarHBondContact O-N 3.42Å; K1242-S1246 VanDerWaalsContact O-CA 3.25Å; K1242-S1246 WeakPolarHBondContact O-CA 3.44Å; K1242-S1246 PolarHBondContact O-N 2.82Å; K1242-L1249 HydrophobicContact CB-CD1 4.42Å; K1242-L1249 HydrophobicContact CG-CD1 4.41Å |
| 1243 | D | 78.8 | Confident | 74.8 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 177.8 | -66.8 | -16.9 | 0 | 0 | 0 | 111.4 | P1239 F1245 S1246 | P1239-D1243 PolarHBondContact O-N 2.9Å; D1243-F1245 VanDerWaalsContact C-N 3.29Å; D1243-F1245 PolarHBondContact O-N 3.26Å; D1243-S1246 WeakPolarHBondContact O-CB 3.19Å; D1243-S1246 PolarHBondContact O-N 3.48Å; D1243-S1246 PolarHBondContact O-OG 3.12Å |
| 1244 | R | 81.8 | Confident | 73.6 | Confident | 136 Ų | 136 | 72.7 Ų | 72.7 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -32.7 | -179.4 | 178.6 | 174.1 | 171.3 | -169 | -8.6 | 113.7 | T1204 N1240 | T1204-R1244 PolarHBondContact OG1-NH2 3.31Å; T1204-R1244 VanDerWaalsContact OG1-NH2 3.17Å; N1240-R1244 VanDerWaalsContact O-CB 3.23Å; N1240-R1244 WeakPolarHBondContact O-CB 3.37Å; N1240-R1244 PolarHBondContact O-N 3.07Å |
| 1245 | F | 81.9 | Confident | 72.4 | Confident | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.009 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 22 | 179.5 | -57.4 | -65.8 | 0 | 0 | 0 | 112.9 | L1203 T1204 D1207 L1241 K1242 D1243 D1247 L1248 L1249 | L1203-F1245 HydrophobicContact CB-CD1 4.13Å; L1203-F1245 HydrophobicContact CB-CD2 3.72Å; L1203-F1245 HydrophobicContact CB-CE1 4.04Å; L1203-F1245 HydrophobicContact CB-CE2 3.62Å; L1203-F1245 HydrophobicContact CB-CG 3.98Å; L1203-F1245 HydrophobicContact CB-CZ 3.79Å; L1203-F1245 HydrophobicContact CD1-CD2 3.73Å; L1203-F1245 HydrophobicContact CD1-CE2 4.08Å; L1203-F1245 HydrophobicContact CD1-CG 4.4Å; L1203-F1245 HydrophobicContact CG-CD2 4.34Å; T1204-F1245 WeakPolarHBondContact OG1-CZ 3.46Å; D1207-F1245 HydrophobicContact CB-CD1 3.96Å; D1207-F1245 HydrophobicContact CB-CE1 4.16Å; L1241-F1245 HydrophobicContact CD1-CD2 4.28Å; L1241-F1245 HydrophobicContact CD1-CE2 3.8Å; L1241-F1245 HydrophobicContact CG-CD2 4.05Å; L1241-F1245 HydrophobicContact CG-CE2 4.08Å; L1241-F1245 WeakPolarHBondContact O-CD2 3.47Å; L1241-F1245 PolarHBondContact O-N 3.05Å; K1242-F1245 CarbonylContact O-C 3.58Å; K1242-F1245 PolarHBondContact O-N 3.42Å; D1243-F1245 VanDerWaalsContact C-N 3.29Å; D1243-F1245 PolarHBondContact O-N 3.26Å; F1245-D1247 VanDerWaalsContact C-N 3.3Å; F1245-D1247 PolarHBondContact O-N 3.3Å; F1245-L1248 HydrophobicContact CB-CB 4.43Å; F1245-L1248 WeakPolarHBondContact O-CA 3.39Å; F1245-L1248 WeakPolarHBondContact O-CB 3.43Å; F1245-L1248 PolarHBondContact O-N 3.14Å; F1245-L1249 PolarHBondContact O-N 3.03Å |
| 1246 | S | 82.1 | Confident | 70.9 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 42% | 0.42 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -51.6 | -48.7 | -180 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | K1242 D1243 L1248 L1249 A1250 | K1242-S1246 VanDerWaalsContact O-CA 3.25Å; K1242-S1246 WeakPolarHBondContact O-CA 3.44Å; K1242-S1246 PolarHBondContact O-N 2.82Å; D1243-S1246 WeakPolarHBondContact O-CB 3.19Å; D1243-S1246 PolarHBondContact O-N 3.48Å; D1243-S1246 PolarHBondContact O-OG 3.12Å; S1246-L1248 PolarHBondContact O-N 2.87Å; S1246-L1249 PolarHBondContact O-N 3.04Å; S1246-A1250 WeakPolarHBondContact O-CB 3.45Å; S1246-A1250 PolarHBondContact O-N 3.14Å |
| 1247 | D | 83.8 | Confident | 69.4 | Low | 86 Ų | 86 | 76.7 Ų | 76.7 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -47.1 | -33.5 | 169.5 | -111.1 | 40.7 | 0 | 0 | 0 | 116.2 | R1210 F1245 | R1210-D1247 IonicContact CZ-OD2 2.64Å; R1210-D1247 IonicContact NH1-OD2 3.41Å; R1210-D1247 PolarHBondContact NH1-OD2 3.47Å; R1210-D1247 IonicContact NH2-OD2 3.48Å; R1210-D1247 PolarHBondContact NH2-OD2 2.89Å; F1245-D1247 VanDerWaalsContact C-N 3.3Å; F1245-D1247 PolarHBondContact O-N 3.3Å |
| 1248 | L | 82.7 | Confident | 67.7 | Low | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -91.4 | -37.9 | -179 | 174.8 | 66.9 | 0 | 0 | 0 | 110.8 | L1203 L1206 D1207 L1219 F1245 S1246 A1250 L1251 | L1203-L1248 HydrophobicContact CD2-CD2 3.96Å; L1206-L1248 HydrophobicContact CB-CD2 3.85Å; D1207-L1248 HydrophobicContact CB-CD2 4.29Å; L1219-L1248 HydrophobicContact CD1-CD1 4.17Å; L1219-L1248 HydrophobicContact CD2-CD1 3.88Å; F1245-L1248 HydrophobicContact CB-CB 4.43Å; F1245-L1248 WeakPolarHBondContact O-CA 3.39Å; F1245-L1248 WeakPolarHBondContact O-CB 3.43Å; F1245-L1248 PolarHBondContact O-N 3.14Å; S1246-L1248 PolarHBondContact O-N 2.87Å; L1248-A1250 VanDerWaalsContact C-N 3.33Å; L1248-L1251 PolarHBondContact O-N 3.26Å |
| 1249 | L | 81.7 | Confident | 65.9 | Low | 20 Ų | 20 | 85 Ų | 85 | 11% | 0.105 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -72.4 | -26.8 | 176.2 | -62.1 | 174.2 | 0 | 0 | 0 | 112.1 | L1228 L1231 A1232 K1242 F1245 S1246 L1251 V1252 | L1228-L1249 HydrophobicContact CD2-CD2 4.35Å; L1231-L1249 HydrophobicContact CD2-CD2 4.24Å; A1232-L1249 HydrophobicContact CB-CB 4.46Å; A1232-L1249 HydrophobicContact CB-CD2 4.32Å; K1242-L1249 HydrophobicContact CB-CD1 4.42Å; K1242-L1249 HydrophobicContact CG-CD1 4.41Å; F1245-L1249 PolarHBondContact O-N 3.03Å; S1246-L1249 PolarHBondContact O-N 3.04Å; L1249-L1251 PolarHBondContact O-N 3.47Å; L1249-V1252 WeakPolarHBondContact O-CB 3.36Å; L1249-V1252 WeakPolarHBondContact O-CG2 3.45Å; L1249-V1252 PolarHBondContact O-N 3.16Å |
| 1250 | A | 80 | Confident | 64 | Low | 82 Ų | 82 | 85.7 Ų | 85.7 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -2.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1246 L1248 V1252 | S1246-A1250 WeakPolarHBondContact O-CB 3.45Å; S1246-A1250 PolarHBondContact O-N 3.14Å; L1248-A1250 VanDerWaalsContact C-N 3.33Å; A1250-V1252 VanDerWaalsContact C-N 3.32Å |
| 1251 | L | 75.7 | Confident | 61.8 | Low | 82 Ų | 82 | 87.1 Ų | 87.1 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.9 | 170.7 | -66.6 | 176.7 | 0 | 0 | 0 | 113 | R1210 L1219 Q1225 L1248 L1249 | R1210-L1251 HydrophobicContact CG-CD1 4.04Å; L1219-L1251 HydrophobicContact CD1-CD1 3.95Å; Q1225-L1251 PolarHBondContact NE2-O 3.09Å; L1248-L1251 PolarHBondContact O-N 3.26Å; L1249-L1251 PolarHBondContact O-N 3.47Å |
| 1252 | V | 71 | Confident | 59.7 | Low | 27 Ų | 27 | 96.8 Ų | 96.8 | 16% | 0.164 | 54% | 0.539 | C | S | . | . | trans | -79.5 | 126.2 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | Q1225 L1228 Q1229 L1249 A1250 | Q1225-V1252 VanDerWaalsContact OE1-CA 3.32Å; L1228-V1252 HydrophobicContact CB-CG2 3.64Å; Q1229-V1252 HydrophobicContact CB-CG1 3.57Å; Q1229-V1252 HydrophobicContact CG-CG1 3.75Å; L1249-V1252 WeakPolarHBondContact O-CB 3.36Å; L1249-V1252 WeakPolarHBondContact O-CG2 3.45Å; L1249-V1252 PolarHBondContact O-N 3.16Å; A1250-V1252 VanDerWaalsContact C-N 3.32Å | ||
| 1253 | E | 60.6 | Low | 57.5 | Low | 149 Ų | 149 | 102.4 Ų | 102.4 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | trans | -80.9 | 138.1 | 174.3 | -67.4 | -169 | 173.7 | 0 | 0 | 111.2 | L1255 | E1253-L1255 VanDerWaalsContact C-N 3.26Å; E1253-L1255 PolarHBondContact O-N 3.1Å | ||
| 1254 | D | 50.1 | Low | 55.3 | Low | 160 Ų | 160 | 101 Ų | 101 | 86% | 0.856 | 57% | 0.565 | S | S | * | * | trans | -72.1 | 76.2 | 177.4 | -84.6 | -39.6 | 0 | 0 | 0 | 111.6 | ||||
| 1255 | L | 43.8 | Very low | 53.1 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 123.3 | 167.4 | -86.3 | 159.7 | 0 | 0 | 0 | 109.9 | E1253 A1257 | E1253-L1255 VanDerWaalsContact C-N 3.26Å; E1253-L1255 PolarHBondContact O-N 3.1Å; L1255-A1257 PolarHBondContact O-N 2.9Å |
| 1256 | P | 34.8 | Very low | 50.7 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 75% | 0.747 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124.2 | -171 | 26 | -34.3 | 0 | 0 | 0 | 111.6 | T1258 | P1256-T1258 PolarHBondContact O-N 3.47Š|
| 1257 | A | 32.3 | Very low | 48.3 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 79% | 0.793 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1255 P1259 | L1255-A1257 PolarHBondContact O-N 2.9Å; A1257-P1259 VanDerWaalsContact O-CD 3.3Å; A1257-P1259 WeakPolarHBondContact O-CD 3.36Å |
| 1258 | T | 31 | Very low | 45.7 | Very low | 136 Ų | 136 | 115.1 Ų | 115.1 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 118.4 | 169.3 | 42 | 0 | 0 | 0 | 0 | 109.6 | P1256 S1260 | P1256-T1258 PolarHBondContact O-N 3.47Å; T1258-S1260 PolarHBondContact O-N 3.04Å |
| 1259 | P | 32.9 | Very low | 43.3 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.9 | -170.4 | -20.7 | 34.2 | 0 | 0 | 0 | 114.1 | A1257 | A1257-P1259 VanDerWaalsContact O-CD 3.3Å; A1257-P1259 WeakPolarHBondContact O-CD 3.36Å |
| 1260 | S | 30.7 | Very low | 40.9 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 43.5 | 114.8 | 138.1 | 62 | 0 | 0 | 0 | 0 | 119.7 | T1258 Y1262 | T1258-S1260 PolarHBondContact O-N 3.04Å; S1260-Y1262 PolarHBondContact O-N 3.18Å | ||
| 1261 | D | 27.5 | Very low | 38.5 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | -54.5 | 128.7 | 127.7 | -78.5 | -55.6 | 0 | 0 | 0 | 108.8 | |||||
| 1262 | Y | 31.7 | Very low | 36.3 | Very low | 236 Ų | 236 | 131 Ų | 131 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | trans | 177.1 | 151.9 | 131.6 | -96.5 | -62.7 | 0 | 0 | 0 | 110.6 | S1260 | S1260-Y1262 PolarHBondContact O-N 3.18Š| ||
| 1263 | H | 33.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 135 Ų | 135 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | -107.9 | 148.5 | -171.2 | -157.4 | -80.8 | 0 | 0 | 0 | 111.7 | ||||
| 1264 | S | 31.7 | Very low | 32.9 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | trans | 70 | 128.3 | 160.5 | 23.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1265 | Q | 34.8 | Very low | 32.2 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 77.2 | 137 | 141.2 | -66 | 176.1 | 16.1 | 0 | 0 | 118.2 | ||||
| 1266 | I | 31.9 | Very low | 31.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -160.3 | 143 | -8.3 | -126.6 | 167.8 | 0 | 0 | 0 | 109.8 | ||||
| 1267 | Q | 31.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | 55.6 | 149.3 | 154.3 | -65.5 | -171.4 | -90 | 0 | 0 | 120.6 | ||||
| 1268 | D | 29.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | cis | -159.6 | 179.4 | -13.9 | -129 | -43.3 | 0 | 0 | 0 | 112 | ||||
| 1269 | S | 33.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 76.9 | 103.6 | 150.5 | 60.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1270 | L | 31.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | 67.2 | 107.2 | 123.5 | -62.7 | 166.8 | 0 | 0 | 0 | 118.7 | |||||
| 1271 | S | 29.7 | Very low | 31.6 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | 74.8 | 144.6 | 79.8 | 83.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1272 | H | 29.7 | Very low | 32 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | cis | -165.6 | 179.8 | 21.5 | -147.6 | 39 | 0 | 0 | 0 | 112.2 | ||||
| 1273 | C | 28.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | trans | 80.3 | 120.4 | 158.8 | -61.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1274 | N | 30.9 | Very low | 32.2 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -66 | 175.9 | 149 | -89.3 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 1275 | P | 34.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -150.7 | 176.8 | 28.7 | 45.7 | -25 | 0 | 0 | 0 | 120.3 | ||||
| 1276 | S | 29 | Very low | 32.2 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 11.2 | 143.9 | 149.3 | 65.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1277 | V | 31.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | -162.8 | 160.6 | 128.2 | 129.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 1278 | H | 31 | Very low | 32.4 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -77.1 | 167.2 | -175.9 | -81.7 | -102.8 | 0 | 0 | 0 | 116.5 | ||||
| 1279 | I | 36.2 | Very low | 32.4 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | -167.8 | 156.4 | 112.1 | -95 | 157.2 | 0 | 0 | 0 | 111.7 | |||||
| 1280 | N | 31.8 | Very low | 32.2 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | -108.3 | 170.1 | -164.7 | -67.5 | 7.7 | 0 | 0 | 0 | 115.3 | ||||
| 1281 | G | 33.5 | Very low | 32.3 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 168.3 | 86.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1282 | D | 35.9 | Very low | 32.4 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 71 | 135.6 | 70.5 | -75 | -27.3 | 0 | 0 | 0 | 115 | |||||
| 1283 | V | 34.5 | Very low | 32.4 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 56% | 0.558 | 74% | 0.742 | S | S | * | * | cis | -164.5 | 176.8 | -12.9 | 95.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1284 | Y | 34.4 | Very low | 32.6 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | 108.7 | 109.3 | 169.6 | -68.6 | -75.8 | 0 | 0 | 0 | 114.7 | ||||
| 1285 | K | 34.5 | Very low | 32.4 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | cis | 79.9 | 138.4 | 43.6 | -68.7 | -173.6 | 174.8 | 177.5 | 0 | 114.4 | ||||
| 1286 | S | 33.4 | Very low | 32.4 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | cis | -169.5 | 176.9 | -10.3 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1287 | D | 34.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | 80.5 | 146.3 | 151.1 | -62.5 | -52.7 | 0 | 0 | 0 | 121.6 | ||||
| 1288 | M | 31.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 148 Ų | 148 | 64% | 0.635 | 75% | 0.754 | S | S | * | * | cis | -172.1 | 148.2 | -31.1 | -113.1 | -72.8 | 170 | 0 | 0 | 110.8 | ||||
| 1289 | R | 31.1 | Very low | 32.4 | Very low | 206 Ų | 206 | 146.9 Ų | 146.9 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 165.6 | 154 | -66.1 | 157.8 | -147.7 | -168.8 | 9 | 118.5 | ||||
| 1290 | K | 28.1 | Very low | 32.1 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | cis | -177.2 | -177.1 | -44.2 | -130.2 | -179.6 | -179 | -177.4 | 0 | 107.3 | ||||
| 1291 | I | 33.6 | Very low | 32.1 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 82.4 | 98.3 | 175.9 | -51.1 | 170.1 | 0 | 0 | 0 | 111.6 | ||||
| 1292 | S | 31.7 | Very low | 32 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 72 | 107.5 | 73.6 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1293 | S | 29 | Very low | 31.7 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | 74 | 104.4 | 70.1 | 174 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1294 | D | 33.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -148 | 165.9 | 145.3 | -136.3 | -32.9 | 0 | 0 | 0 | 112.7 | ||||
| 1295 | R | 27.4 | Very low | 31.3 | Very low | 226 Ų | 226 | 146.2 Ų | 146.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -144.9 | 106.5 | -145.7 | -176.4 | -155.8 | -143.6 | -159.5 | 11 | 114.2 | ||||
| 1296 | I | 33.5 | Very low | 31 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -126.9 | 136.5 | 169.3 | -57.8 | -177 | 0 | 0 | 0 | 112.2 | ||||
| 1297 | K | 27.5 | Very low | 30.7 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -138.2 | 172.8 | 173.3 | -109.5 | -172.9 | 177.8 | -176.7 | 0 | 105.6 | ||||
| 1298 | P | 33.2 | Very low | 30.4 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | cis | -135.3 | -157 | 14.6 | 37.3 | -14.7 | 0 | 0 | 0 | 113.7 | ||||
| 1299 | T | 31.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 61.1 | 121.7 | 170.5 | 59.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1300 | S | 31.3 | Very low | 30.1 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | cis | -155.4 | -172.6 | 10.8 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1301 | H | 31.8 | Very low | 30.2 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | cis | -143.4 | -92.9 | 6.5 | -159.4 | -84.3 | 0 | 0 | 0 | 113.2 | ||||
| 1302 | S | 30.9 | Very low | 30.1 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -143.4 | 160.2 | -171.3 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1303 | G | 29.8 | Very low | 30.2 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 173.1 | 134.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1304 | S | 28.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 80.3 | 143.1 | 66.2 | -163 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1305 | K | 31.6 | Very low | 31 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | 73.3 | 144.7 | -158.4 | -50.8 | 172.2 | -176.8 | 177.3 | 0 | 113.5 | ||||
| 1306 | G | 27.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | cis | 121.4 | 121 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1307 | G | 27.8 | Very low | 31.6 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | 131.2 | 124.2 | 166 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1308 | H | 28.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 90% | 0.903 | 72% | 0.718 | S | S | * | * | trans | 8.4 | 146.2 | 150.7 | -59.5 | -83 | 0 | 0 | 0 | 124.2 | ||||
| 1309 | S | 27.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | 86.2 | 173 | 141.2 | -150.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1310 | L | 30 | Very low | 33 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | 67.4 | 104.1 | -174.4 | -48.6 | -177.8 | 0 | 0 | 0 | 113.3 | ||||
| 1311 | R | 28.2 | Very low | 33.2 | Very low | 215 Ų | 215 | 117.9 Ų | 117.9 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | cis | 72.1 | 110.3 | 13.8 | -150.9 | 176.2 | -172.6 | -179.7 | 2.3 | 114.6 | ||||
| 1312 | N | 31.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | trans | 60.4 | 89 | 165.7 | -58.8 | 22.4 | 0 | 0 | 0 | 118.2 | ||||
| 1313 | L | 34.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 122 Ų | 122 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -158.7 | 24.3 | 160.5 | -119.8 | 161.7 | 0 | 0 | 0 | 119.1 | R1316 R1317 | L1313-R1316 HydrophobicContact CD2-CB 4.34Å; L1313-R1317 HydrophobicContact CD2-CG 4.46Å |
| 1314 | D | 36.8 | Very low | 34.3 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -115.3 | -46.6 | 167.2 | -80.4 | -56.3 | 0 | 0 | 0 | 112.6 | R1316 R1317 A1318 | D1314-R1316 PolarHBondContact O-N 2.9Å; D1314-R1317 PolarHBondContact O-N 3.06Å; D1314-A1318 PolarHBondContact O-N 3.24Å |
| 1315 | S | 42.1 | Very low | 34.5 | Very low | 55 Ų | 55 | 130.4 Ų | 130.4 | 39% | 0.385 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -49.9 | -31 | 162.5 | -42.9 | 0 | 0 | 0 | 0 | 112.3 | E1076 R1317 A1319 | E1076-S1315 VanDerWaalsContact CD-OG 3.31Å; E1076-S1315 VanDerWaalsContact OE1-CB 3.29Å; E1076-S1315 WeakPolarHBondContact OE1-CB 3.41Å; E1076-S1315 PolarHBondContact OE1-OG 3.41Å; E1076-S1315 WeakPolarHBondContact OE2-CB 3.32Å; E1076-S1315 PolarHBondContact OE2-OG 3.49Å; S1315-R1317 VanDerWaalsContact C-N 3.31Å; S1315-R1317 PolarHBondContact O-N 3.23Å; S1315-A1319 WeakPolarHBondContact O-CB 3.47Å; S1315-A1319 PolarHBondContact O-N 3.3Å; S1315-A1319 VanDerWaalsContact O-N 3.09Å |
| 1316 | R | 37.7 | Very low | 34.6 | Very low | 147 Ų | 147 | 127 Ų | 127 | 56% | 0.555 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.7 | -12.6 | 176.7 | -122.1 | -177.7 | -169.4 | -174.4 | -1.2 | 114.6 | L1313 D1314 E1320 | L1313-R1316 HydrophobicContact CD2-CB 4.34Å; D1314-R1316 PolarHBondContact O-N 2.9Å; R1316-E1320 WeakPolarHBondContact O-CB 3.45Å; R1316-E1320 WeakPolarHBondContact O-CG 3.5Å; R1316-E1320 PolarHBondContact O-N 2.87Å; R1316-E1320 VanDerWaalsContact O-N 3.1Å |
| 1317 | R | 35.5 | Very low | 34.7 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 64% | 0.638 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -95.1 | -25.4 | 175.4 | -73.2 | -173.9 | 169.8 | -151.5 | -4.3 | 113 | L1313 D1314 S1315 A1321 | L1313-R1317 HydrophobicContact CD2-CG 4.46Å; D1314-R1317 PolarHBondContact O-N 3.06Å; S1315-R1317 VanDerWaalsContact C-N 3.31Å; S1315-R1317 PolarHBondContact O-N 3.23Å; R1317-A1321 PolarHBondContact O-N 3.42Å |
| 1318 | A | 39 | Very low | 34.6 | Very low | 63 Ų | 63 | 131 Ų | 131 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.9 | -55 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D1314 E1320 A1321 | D1314-A1318 PolarHBondContact O-N 3.24Å; A1318-E1320 PolarHBondContact O-N 3.49Å; A1318-A1321 VanDerWaalsContact O-CB 3.32Å; A1318-A1321 WeakPolarHBondContact O-CB 3.33Å; A1318-A1321 PolarHBondContact O-N 3.15Å |
| 1319 | A | 43.8 | Very low | 34.7 | Very low | 42 Ų | 42 | 126.9 Ų | 126.9 | 35% | 0.347 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | 4.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1315 | S1315-A1319 WeakPolarHBondContact O-CB 3.47Å; S1315-A1319 PolarHBondContact O-N 3.3Å; S1315-A1319 VanDerWaalsContact O-N 3.09Å |
| 1320 | E | 38.3 | Very low | 34.8 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 32% | 0.318 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -6.2 | 166.4 | -82.7 | 172.3 | -165.2 | 0 | 0 | 112.8 | R1316 A1318 | R1316-E1320 WeakPolarHBondContact O-CB 3.45Å; R1316-E1320 WeakPolarHBondContact O-CG 3.5Å; R1316-E1320 PolarHBondContact O-N 2.87Å; R1316-E1320 VanDerWaalsContact O-N 3.1Å; A1318-E1320 PolarHBondContact O-N 3.49Å |
| 1321 | A | 36.9 | Very low | 34.7 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 60% | 0.603 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -45.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1317 A1318 R1323 R1324 | R1317-A1321 PolarHBondContact O-N 3.42Å; A1318-A1321 VanDerWaalsContact O-CB 3.32Å; A1318-A1321 WeakPolarHBondContact O-CB 3.33Å; A1318-A1321 PolarHBondContact O-N 3.15Å; A1321-R1323 PolarHBondContact O-N 2.93Å; A1321-R1323 VanDerWaalsContact O-N 3.12Å; A1321-R1324 PolarHBondContact O-N 3.11Å |
| 1322 | E | 41.9 | Very low | 34.8 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -23.5 | 171.2 | -68 | 178.8 | 116.2 | 0 | 0 | 113.4 | R1324 | E1322-R1324 PolarHBondContact O-N 3.43Š|
| 1323 | R | 38.3 | Very low | 34.7 | Very low | 211 Ų | 211 | 127 Ų | 127 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 15.4 | -176.3 | -76.2 | -176.4 | 162.3 | -103.9 | -7.4 | 115 | A1321 | A1321-R1323 PolarHBondContact O-N 2.93Å; A1321-R1323 VanDerWaalsContact O-N 3.12Å |
| 1324 | R | 34 | Very low | 34.4 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -132 | 13.7 | -173 | -75.2 | -167.1 | 169.6 | 110.4 | 0.3 | 117.1 | A1321 E1322 | A1321-R1324 PolarHBondContact O-N 3.11Å; E1322-R1324 PolarHBondContact O-N 3.43Å |
| 1325 | Q | 34 | Very low | 34 | Very low | 180 Ų | 180 | 127.6 Ų | 127.6 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -130.1 | 144.9 | 158.7 | -67.7 | -175.9 | -59.7 | 0 | 0 | 109 | ||
| 1326 | V | 32.8 | Very low | 33.4 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 53.5 | 81.3 | -175.2 | -163.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1327 | V | 29.7 | Very low | 33 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | 60.7 | 77.2 | 72.5 | -168.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1328 | S | 26.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | 31.3 | 107.2 | 144.1 | 57.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1329 | S | 29.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -145.7 | 114.5 | 143.4 | 48 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1330 | Y | 29.7 | Very low | 31.8 | Very low | 229 Ų | 229 | 141.7 Ų | 141.7 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | 40.7 | 142.1 | 157.9 | -69.5 | -81.7 | 0 | 0 | 0 | 125 | ||||
| 1331 | S | 28.5 | Very low | 31.6 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -139.2 | 125.8 | 164.7 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1332 | S | 30.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -163.9 | 126.7 | 156.3 | 39.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1333 | N | 30.3 | Very low | 31 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 69.5 | 82.8 | 55.8 | -77.8 | -22.7 | 0 | 0 | 0 | 114.7 | |||||
| 1334 | S | 26.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | trans | -98.1 | 111.6 | 153 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1335 | T | 28.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -115.1 | 153.9 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1336 | S | 29 | Very low | 30.9 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -152.9 | 139.9 | 179.3 | 154 | 0 | 0 | 0 | 0 | 111 | ||||
| 1337 | S | 29.4 | Very low | 30.9 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -166.1 | 139.9 | -22.9 | -153.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1338 | K | 29.8 | Very low | 31.2 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 154.1 | 131.5 | 165.9 | -89.3 | 148.7 | -164.2 | 165.5 | 0 | 108.2 | ||||
| 1339 | R | 28.5 | Very low | 31.6 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -170.4 | 129.5 | 21.8 | -151.2 | -168.9 | 170.5 | 160 | 0.3 | 112.5 | ||||
| 1340 | H | 35 | Very low | 31.8 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | 59.7 | 149.4 | 164.4 | -52.6 | -45.7 | 0 | 0 | 0 | 117.4 | ||||
| 1341 | Q | 33.2 | Very low | 32.2 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -169.5 | 172.2 | -9.3 | -114.6 | -176.9 | 103.9 | 0 | 0 | 105.9 | ||||
| 1342 | R | 31.6 | Very low | 32.6 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | cis | -166.3 | 164.2 | 10.9 | -147.4 | -177.5 | -159.9 | -151.9 | -2 | 110.8 | ||||
| 1343 | S | 34.3 | Very low | 33 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | trans | 48.6 | 140.8 | 145.4 | 57.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1344 | D | 34.6 | Very low | 33.4 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | cis | -172.2 | 146.4 | -11.9 | -90.5 | -36.3 | 0 | 0 | 0 | 111.1 | ||||
| 1345 | S | 34.9 | Very low | 34 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 66.2 | 152.9 | 148.6 | 71.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1346 | Q | 35.3 | Very low | 34.5 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -171.7 | 151.3 | -9.4 | -114.4 | -177.3 | -13.8 | 0 | 0 | 115.1 | ||||
| 1347 | L | 34.2 | Very low | 34.9 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | 76.7 | 118.4 | 142.7 | -61.7 | 165.5 | 0 | 0 | 0 | 126.3 | ||||
| 1348 | N | 34.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | 85.1 | 120.9 | 120.5 | -71.7 | 21.1 | 0 | 0 | 0 | 127.9 | |||||
| 1349 | N | 34.9 | Very low | 35.7 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | 98.1 | 130.8 | 118.1 | -76.2 | 25.6 | 0 | 0 | 0 | 126.6 | |||||
| 1350 | F | 34.8 | Very low | 36 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 95.9 | 120.2 | 134.7 | -90.4 | -127.6 | 0 | 0 | 0 | 124.7 | ||||
| 1351 | D | 36.5 | Very low | 35.9 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 48.8 | 145.8 | 133.7 | -53 | 0.7 | 0 | 0 | 0 | 125.5 | ||||
| 1352 | G | 37.5 | Very low | 36 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | 155.8 | 71.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1353 | D | 38.6 | Very low | 36.1 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | 40.9 | 142.2 | 137.9 | -59.9 | -20.8 | 0 | 0 | 0 | 128.2 | ||||
| 1354 | S | 39 | Very low | 36 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 91.1 | 111.1 | 131.2 | -84.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1355 | D | 39.9 | Very low | 36 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | 83.5 | 136.4 | 116.9 | -65.1 | -36.7 | 0 | 0 | 0 | 126.2 | |||||
| 1356 | G | 38.9 | Very low | 35.9 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | trans | 115.5 | 130.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1357 | N | 37.9 | Very low | 35.8 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | 177.2 | 169.3 | -51.4 | 179.4 | 37.3 | 0 | 0 | 0 | 107.9 | |||||
| 1358 | E | 38.2 | Very low | 35.7 | Very low | 180 Ų | 180 | 118 Ų | 118 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | 77.4 | 131.3 | 172.5 | -50.2 | -170.9 | 173.4 | 0 | 0 | 117.5 | ||||
| 1359 | G | 36.7 | Very low | 35.4 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | cis | 174.8 | 154.6 | -9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1360 | G | 35 | Very low | 35.3 | Very low | 77 Ų | 77 | 117.2 Ų | 117.2 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 90.5 | 115.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1361 | S | 33.4 | Very low | 35.1 | Very low | 106 Ų | 106 | 113.4 Ų | 113.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | cis | 66.9 | 131.4 | 26.1 | -150.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1362 | V | 34.9 | Very low | 34.9 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | cis | -151.6 | 125 | 47.7 | 157.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1363 | T | 33.4 | Very low | 34.6 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | 72.6 | 117.1 | 61 | 66 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1364 | S | 33.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 57.2 | 178.5 | 148.4 | 70 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1365 | D | 33.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -153.2 | 164.8 | 8.3 | -109.4 | -69.7 | 0 | 0 | 0 | 107.8 | ||||
| 1366 | S | 33.5 | Very low | 33.3 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | -176.7 | -174.8 | -38.4 | 59.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1367 | S | 33.4 | Very low | 32.7 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 70.6 | 160.9 | 169.1 | 81.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1368 | S | 32.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -165.7 | 131.6 | -13.1 | 38.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1369 | C | 26.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | 79.5 | 164.5 | 86.3 | -151.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1370 | S | 32.4 | Very low | 31.3 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 74.7 | 140.2 | -177.9 | -2.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1371 | S | 32.6 | Very low | 31.1 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | -178.3 | 137.1 | -16.6 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1372 | E | 31 | Very low | 30.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 60.3 | 162.1 | 154.4 | -67 | 130.6 | -126.5 | 0 | 0 | 117.9 | ||||
| 1373 | E | 31.9 | Very low | 30.4 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | cis | -134.9 | 167.3 | 15.8 | -67.2 | 173.5 | 136.1 | 0 | 0 | 112.9 | ||||
| 1374 | E | 31.9 | Very low | 30.1 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 36.6 | 103.7 | 159.2 | -62.3 | -175.2 | 167.9 | 0 | 0 | 119.4 | ||||
| 1375 | E | 29.3 | Very low | 29.7 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | cis | 89.8 | 145.7 | 41.6 | -162.6 | 167.9 | -145 | 0 | 0 | 116 | ||||
| 1376 | S | 28.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 78.2 | 76.8 | 174.3 | 74.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1377 | T | 25.7 | Very low | 29 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 54.7 | 74.4 | 137.2 | 57.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1378 | I | 25 | Very low | 28.7 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -149.6 | 107.8 | 142.8 | -92.8 | 133.7 | 0 | 0 | 0 | 110.1 | ||||
| 1379 | S | 30.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -153.2 | 134.8 | 158.2 | -103.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1380 | R | 28.8 | Very low | 28.6 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | cis | 70 | 128.1 | 42.6 | -63.2 | 174.2 | 174.2 | 176.7 | 0.1 | 110.3 | ||||
| 1381 | K | 29.6 | Very low | 28.5 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | cis | -151 | 168.2 | 6.5 | -91.6 | 151.1 | 171.9 | -176.3 | 0 | 106.2 | ||||
| 1382 | T | 28.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -150 | 115.9 | -3.8 | 2.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1383 | R | 25.2 | Very low | 28.5 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | 65 | 68.8 | 85 | -164.3 | -172.3 | 169.1 | 179.4 | -4.5 | 114.4 | |||||
| 1384 | S | 26.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 94% | 0.937 | 75% | 0.751 | S | S | * | * | trans | -79 | 120.2 | 155.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1385 | G | 27.1 | Very low | 28.5 | Very low | 43 Ų | 43 | 138.8 Ų | 138.8 | 44% | 0.443 | 74% | 0.744 | S | S | . | * | trans | 143.9 | 124 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1386 | T | 26.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | 70.7 | 111.2 | 128.7 | -46.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1387 | M | 25.5 | Very low | 28.6 | Very low | 142 Ų | 142 | 141 Ų | 141 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | trans | 82.6 | 139.9 | 142.4 | -89.9 | -165.2 | 172.3 | 0 | 0 | 123.9 | ||||
| 1388 | R | 27 | Very low | 28.6 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 74.9 | 123.4 | 152.7 | -65.9 | 161.2 | -162.7 | -151.4 | 4.6 | 115.8 | ||||
| 1389 | S | 27.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | cis | 83.7 | 164 | 49.7 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1390 | V | 28.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | 84.8 | 126.4 | -164 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1391 | D | 30.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 56% | 0.561 | 75% | 0.75 | S | S | * | * | cis | -150 | 163.4 | 16.7 | -135.3 | -22.9 | 0 | 0 | 0 | 116.4 | ||||
| 1392 | K | 31.1 | Very low | 28.4 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 41.7 | 138.5 | 150.6 | -75.7 | 147.8 | -160.1 | 155.9 | 0 | 121.3 | ||||
| 1393 | S | 32.7 | Very low | 28.4 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -149.8 | 145.8 | 31.2 | -52.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1394 | T | 31.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 27.2 | 146.1 | 138.3 | 60.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1395 | N | 32.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -163.7 | 132.7 | 0.9 | -106.1 | -29.5 | 0 | 0 | 0 | 107.1 | ||||
| 1396 | K | 27.7 | Very low | 28.7 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | 75.8 | 82.5 | 72.7 | -167.1 | -169.6 | -172.7 | 179.3 | 0 | 115.4 | |||||
| 1397 | L | 31.7 | Very low | 29 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -170.6 | 127.5 | 136 | -122.1 | 65.9 | 0 | 0 | 0 | 107.4 | ||||
| 1398 | K | 26.5 | Very low | 29 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | cis | 76.7 | 133 | 46.8 | -107.9 | -171.9 | -177.9 | -174.7 | 0 | 116.2 | ||||
| 1399 | T | 27.4 | Very low | 29.2 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 74.3 | 113.5 | 153.7 | 44.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1400 | S | 26.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | 79.3 | 133.1 | 124.4 | 69.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1401 | G | 28.1 | Very low | 29.3 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 87.1 | 145 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1402 | G | 27.6 | Very low | 29.6 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | cis | 142.7 | 142.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1403 | K | 27.8 | Very low | 29.5 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 69 | 120.7 | 176 | -67.3 | 172 | -178.7 | 174.3 | 0 | 114.2 | ||||
| 1404 | R | 25.6 | Very low | 29.5 | Very low | 225 Ų | 225 | 136.3 Ų | 136.3 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | 67.8 | 106.5 | 77.1 | -80.3 | -170.6 | 172.2 | -161.3 | -0.7 | 114.7 | |||||
| 1405 | V | 31.6 | Very low | 29.3 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -143 | 106.3 | 133.2 | 179.5 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1406 | N | 28.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 59.4 | 136.5 | 98.6 | -47.5 | -6 | 0 | 0 | 0 | 113.1 | |||||
| 1407 | S | 31.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -133.9 | 154.8 | 8.6 | 60 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1408 | E | 27 | Very low | 28.9 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 48.6 | 133.2 | 68.6 | -50 | -176.8 | 138.5 | 0 | 0 | 112.2 | |||||
| 1409 | V | 30.9 | Very low | 29.2 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | cis | -139.7 | 131.5 | 29.4 | 172.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1410 | A | 27.7 | Very low | 29.2 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 83.7 | 163.2 | 51.5 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1411 | V | 30.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 74.3 | 131.8 | -164.2 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1412 | S | 36.9 | Very low | 29.6 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -144.6 | 173.6 | -7 | -108.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1413 | K | 29.1 | Very low | 29.9 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | 71.1 | 136.3 | 40.5 | -53.1 | 179.6 | -179.5 | 172.1 | 0 | 114.2 | ||||
| 1414 | D | 32.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | cis | -135.7 | 139.4 | 13.2 | -101.4 | -54 | 0 | 0 | 0 | 111.1 | ||||
| 1415 | R | 27.1 | Very low | 30.2 | Very low | 224 Ų | 224 | 150.2 Ų | 150.2 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | 62 | 140.3 | 94.9 | -74.4 | -172.9 | 169.4 | 160.9 | -11.1 | 118.4 | |||||
| 1416 | K | 29.6 | Very low | 30.1 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 84.1 | 101.9 | 149.9 | -92.3 | -173.6 | 174.3 | -174.9 | 0 | 121.5 | ||||
| 1417 | S | 26.1 | Very low | 30.3 | Very low | 93 Ų | 93 | 153.6 Ų | 153.6 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | 70.1 | 146.1 | 118.8 | 64 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1418 | T | 28.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | 64 | 131.7 | 162.8 | 48.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1419 | N | 32.2 | Very low | 30.8 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | -151 | 169.2 | 41.5 | -123.3 | -31.5 | 0 | 0 | 0 | 115.5 | ||||
| 1420 | K | 28.7 | Very low | 30.9 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -77.7 | 147.3 | 177.1 | -57.3 | 169.9 | 179 | 177 | 0 | 112.2 | ||||
| 1421 | R | 31.3 | Very low | 31.1 | Very low | 253 Ų | 253 | 157.8 Ų | 157.8 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | -150.4 | 152.1 | 125.1 | -154 | 165.3 | -175.2 | 167.3 | 1.3 | 110.2 | |||||
| 1422 | S | 30.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -146.7 | 148.5 | -159.9 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1423 | T | 34.4 | Very low | 31.1 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -148.5 | 94.4 | 155.9 | 43.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1424 | N | 28.6 | Very low | 31.3 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 151.3 | 150.8 | -94 | 15 | 0 | 0 | 0 | 108 | ||||
| 1425 | R | 32.3 | Very low | 31.3 | Very low | 258 Ų | 258 | 156.8 Ų | 156.8 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | trans | -129.9 | 148.7 | 141.2 | -106.9 | -173.9 | 173.2 | -169.5 | -5.6 | 109 | ||||
| 1426 | Q | 29.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -148.3 | 138.9 | -156 | 160.4 | -170.9 | -7.5 | 0 | 0 | 105.6 | ||||
| 1427 | E | 33.1 | Very low | 31.9 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -169 | 113.7 | 150.7 | -103 | 138.1 | -144 | 0 | 0 | 105.9 | ||||
| 1428 | V | 34.4 | Very low | 32.3 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | 89.6 | 95.7 | 87.5 | 162.2 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1429 | D | 32.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 79.9 | 139.8 | 95.5 | -50.8 | -30.1 | 0 | 0 | 0 | 110.1 | |||||
| 1430 | D | 34.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | -157.5 | 169.2 | 52.5 | -138.9 | -24.3 | 0 | 0 | 0 | 113 | |||||
| 1431 | E | 31.8 | Very low | 33 | Very low | 173 Ų | 173 | 153 Ų | 153 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -94.3 | 152.5 | 169.2 | -62.9 | -175.6 | 137 | 0 | 0 | 111.4 | ||||
| 1432 | S | 34.3 | Very low | 33 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 159.5 | 127.9 | 122 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1433 | V | 32.6 | Very low | 33.4 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 39.1 | 113.1 | 128.7 | -167.9 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1434 | K | 33.3 | Very low | 33.3 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | -161.2 | 160.2 | 105.6 | -105.4 | -165.2 | 175.8 | -146.6 | 0 | 114.8 | |||||
| 1435 | S | 31.1 | Very low | 33.5 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | -105.9 | -166 | -174.6 | 34.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1436 | E | 34.1 | Very low | 33.5 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | 78.7 | 129.8 | 171.5 | -60 | 118.1 | -109.8 | 0 | 0 | 115.5 | ||||
| 1437 | D | 35.7 | Very low | 33.5 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | cis | -152.7 | 173.8 | -7 | -97.8 | -25.3 | 0 | 0 | 0 | 110.8 | ||||
| 1438 | D | 34.3 | Very low | 33.3 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -68 | 166.3 | 174.4 | -53.1 | -70.2 | 0 | 0 | 0 | 113.3 | ||||
| 1439 | D | 36.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | -166.9 | 132.8 | 128.3 | -100.6 | -26.2 | 0 | 0 | 0 | 109.6 | |||||
| 1440 | D | 33 | Very low | 32.7 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -79 | 161.5 | 171.7 | -66.7 | -66.9 | 0 | 0 | 0 | 111.1 | ||||
| 1441 | D | 35.7 | Very low | 32.4 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -161.8 | 136.7 | 134.9 | -115.9 | -24.3 | 0 | 0 | 0 | 111.7 | ||||
| 1442 | E | 31.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -80.5 | 176.8 | 169 | -58.5 | 176.5 | 122.6 | 0 | 0 | 110 | ||||
| 1443 | Y | 37.7 | Very low | 32 | Very low | 180 Ų | 180 | 143 Ų | 143 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 169.1 | 138.1 | 115.2 | -106.8 | -100.8 | 0 | 0 | 0 | 114.7 | |||||
| 1444 | E | 33.6 | Very low | 32 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 54% | 0.537 | 74% | 0.736 | S | S | . | * | trans | 43.7 | 101.5 | 149.4 | -80.4 | -177.4 | -158.4 | 0 | 0 | 121.8 | R1446 | E1444-R1446 IonicContact OE2-CZ 3.78Å; E1444-R1446 VanDerWaalsContact OE2-CZ 3.31Å; E1444-R1446 IonicContact OE2-NE 2.72Å; E1444-R1446 PolarHBondContact OE2-NE 2.71Å; E1444-R1446 VanDerWaalsContact OE2-NE 3.1Å; E1444-R1446 IonicContact OE2-NH2 3.16Å; E1444-R1446 PolarHBondContact OE2-NH2 3.11Å | ||
| 1445 | D | 31 | Very low | 31.9 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | -13.3 | 134.6 | 118.8 | 172.8 | 32.8 | 0 | 0 | 0 | 116.3 | |||||
| 1446 | R | 33.5 | Very low | 32.1 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -157.1 | 113.6 | 153.3 | -103.6 | 155.7 | -145.2 | -107.5 | 3.6 | 110.7 | E1444 | E1444-R1446 IonicContact OE2-CZ 3.78Å; E1444-R1446 VanDerWaalsContact OE2-CZ 3.31Å; E1444-R1446 IonicContact OE2-NE 2.72Å; E1444-R1446 PolarHBondContact OE2-NE 2.71Å; E1444-R1446 VanDerWaalsContact OE2-NE 3.1Å; E1444-R1446 IonicContact OE2-NH2 3.16Å; E1444-R1446 PolarHBondContact OE2-NH2 3.11Å | ||
| 1447 | G | 28.8 | Very low | 32.1 | Very low | 57 Ų | 57 | 142.7 Ų | 142.7 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | trans | -76 | -150.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1448 | L | 28.8 | Very low | 32 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 90.5 | 134.9 | -167.5 | -57.1 | 165.8 | 0 | 0 | 0 | 113 | ||||
| 1449 | E | 29.7 | Very low | 32.1 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | cis | -156.3 | 163.3 | -7.4 | -143.5 | 165.2 | -168.1 | 0 | 0 | 110.8 | ||||
| 1450 | V | 24.7 | Very low | 32.1 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -109 | 124.9 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1451 | V | 29 | Very low | 32.3 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | trans | -142.5 | 142.1 | 163.6 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1452 | V | 27.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -88.6 | 168.2 | -176.4 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | D1454 | V1452-D1454 WeakPolarHBondContact CG1-OD2 3.29Š| ||
| 1453 | I | 31.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 166.1 | 91.5 | 137.9 | -81.1 | 151.8 | 0 | 0 | 0 | 109.9 | ||||
| 1454 | D | 31.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | 41.3 | 153.3 | 108.7 | -43.9 | -36.3 | 0 | 0 | 0 | 123.2 | V1452 | V1452-D1454 WeakPolarHBondContact CG1-OD2 3.29Š| |||
| 1455 | D | 32.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 69.4 | 148.7 | 155.2 | -57.9 | -23.1 | 0 | 0 | 0 | 120.3 | ||||
| 1456 | E | 34.4 | Very low | 32.4 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -158.5 | 139.9 | -11.5 | -112.7 | -169.5 | 126.9 | 0 | 0 | 107.7 | ||||
| 1457 | S | 33.4 | Very low | 32.2 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | 74.1 | 153.1 | 89.4 | 97 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1458 | G | 34.8 | Very low | 32.3 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | 92.8 | 89.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1459 | D | 36 | Very low | 32.6 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | 67.1 | 123.8 | 81.1 | -85.9 | -44.2 | 0 | 0 | 0 | 117.5 | |||||
| 1460 | D | 37.1 | Very low | 32.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | -164.9 | 100.2 | 111.6 | -141.6 | -25.8 | 0 | 0 | 0 | 114.5 | |||||
| 1461 | S | 36.1 | Very low | 33 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 54% | 0.538 | 74% | 0.738 | S | S | . | * | trans | 36 | 153.9 | 138.7 | 81.9 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 1462 | N | 36.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 75.6 | 144.8 | 151.4 | -69.8 | -57 | 0 | 0 | 0 | 121 | ||||
| 1463 | S | 35.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | cis | -168.2 | 158.6 | -18.4 | -169.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1464 | S | 35.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | 49 | 125.1 | 155.4 | 62.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1465 | R | 32.1 | Very low | 34 | Very low | 243 Ų | 243 | 128.8 Ų | 128.8 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | cis | 99.5 | 114.8 | 42.1 | 177.8 | 175.5 | 173.8 | 169.5 | -0.2 | 114.3 | ||||
| 1466 | A | 32.7 | Very low | 34.2 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 60% | 0.603 | 73% | 0.73 | S | S | * | * | trans | 88.7 | 124.1 | 144 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1467 | T | 30.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | 82.8 | 115.7 | 125.3 | 53.3 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 1468 | T | 31.3 | Very low | 34.4 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | 85.4 | 134.2 | 123.8 | 57.7 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1469 | S | 33.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 74 | 165.9 | 149 | 91.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1470 | R | 29.6 | Very low | 34.3 | Very low | 246 Ų | 246 | 131.5 Ų | 131.5 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | cis | -167.3 | 159.8 | -25.2 | -118.8 | 178.7 | 167.1 | 170.4 | -5 | 107.2 | ||||
| 1471 | G | 33.3 | Very low | 34 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 93.1 | 122.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1472 | N | 32.8 | Very low | 33.9 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | cis | 100.5 | 129.7 | 14 | -155.3 | 61.4 | 0 | 0 | 0 | 115.3 | ||||
| 1473 | N | 34.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | 80 | 115.8 | 165.5 | -74.1 | 9.1 | 0 | 0 | 0 | 122.1 | ||||
| 1474 | N | 35.7 | Very low | 33.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | 102.3 | 118.6 | 119.2 | -73.1 | 23.4 | 0 | 0 | 0 | 122.8 | |||||
| 1475 | N | 36.3 | Very low | 33.6 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | 85.2 | 115.4 | 130.1 | -72.4 | 58 | 0 | 0 | 0 | 122.1 | ||||
| 1476 | D | 36.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | 81.5 | 112.2 | 123.1 | -55.1 | -5.9 | 0 | 0 | 0 | 121.6 | |||||
| 1477 | N | 36.4 | Very low | 33.1 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 91.6 | 127.2 | 131 | -66 | 8.2 | 0 | 0 | 0 | 121.9 | ||||
| 1478 | D | 36.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 72.5 | 88.4 | 135.6 | -53 | -15.8 | 0 | 0 | 0 | 121.3 | ||||
| 1479 | E | 32.8 | Very low | 33 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | 82.7 | 141.3 | 120.6 | -90.7 | -167.1 | 170.8 | 0 | 0 | 123.5 | |||||
| 1480 | V | 34.6 | Very low | 32.6 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 77.7 | 109.5 | 164.7 | -178.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1481 | D | 31.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | 24.2 | 120.8 | 146 | -59.9 | -40.1 | 0 | 0 | 0 | 120.4 | ||||
| 1482 | D | 34.7 | Very low | 31.9 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | -154.4 | 176.3 | 102.1 | -138.4 | -25.1 | 0 | 0 | 0 | 114 | C1484 | D1482-C1484 PolarHBondContact O-N 3.1Š| |||
| 1483 | D | 34 | Very low | 31.7 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 54% | 0.535 | 74% | 0.74 | S | S | . | * | trans | -32.2 | 115.5 | -173.9 | -100.4 | -36.4 | 0 | 0 | 0 | 118.5 | R1485 | D1483-R1485 IonicContact OD1-CZ 2.77Å; D1483-R1485 IonicContact OD1-NE 3.53Å; D1483-R1485 PolarHBondContact OD1-NE 2.94Å; D1483-R1485 IonicContact OD1-NH2 2.74Å; D1483-R1485 PolarHBondContact OD1-NH2 3.22Å; D1483-R1485 IonicContact OD2-CZ 3.61Å; D1483-R1485 IonicContact OD2-NE 3.56Å; D1483-R1485 IonicContact OD2-NH2 2.74Å; D1483-R1485 PolarHBondContact OD2-NH2 2.91Å | ||
| 1484 | C | 32.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | -153.8 | 117.9 | 107.8 | -136.9 | 0 | 0 | 0 | 0 | 113.1 | D1482 | D1482-C1484 PolarHBondContact O-N 3.1Š| |||
| 1485 | R | 32.7 | Very low | 30.8 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | -63.8 | 140.3 | -178.9 | -55.5 | 131.3 | -157.5 | -162.4 | 7.5 | 109.5 | D1483 | D1483-R1485 IonicContact OD1-CZ 2.77Å; D1483-R1485 IonicContact OD1-NE 3.53Å; D1483-R1485 PolarHBondContact OD1-NE 2.94Å; D1483-R1485 IonicContact OD1-NH2 2.74Å; D1483-R1485 PolarHBondContact OD1-NH2 3.22Å; D1483-R1485 IonicContact OD2-CZ 3.61Å; D1483-R1485 IonicContact OD2-NE 3.56Å; D1483-R1485 IonicContact OD2-NH2 2.74Å; D1483-R1485 PolarHBondContact OD2-NH2 2.91Å | ||
| 1486 | I | 29.3 | Very low | 30.3 | Very low | 167 Ų | 167 | 152 Ų | 152 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | -130.5 | 131 | 64.1 | -71.7 | 168.5 | 0 | 0 | 0 | 112.3 | |||||
| 1487 | R | 25.5 | Very low | 29.9 | Very low | 222 Ų | 222 | 154.5 Ų | 154.5 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 160.5 | 173.8 | -90.5 | -171.8 | 175.6 | 180 | 1.4 | 112.8 | ||||
| 1488 | P | 36.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 158.7 Ų | 158.7 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | trans | -116.5 | -167.6 | -151.9 | 42.7 | -33.9 | 0 | 0 | 0 | 114.8 | ||||
| 1489 | S | 23.4 | Very low | 29.1 | Very low | 91 Ų | 91 | 160.1 Ų | 160.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 89.5 | 165.2 | 147.1 | 84.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1490 | K | 25.5 | Very low | 28.8 | Very low | 184 Ų | 184 | 157.8 Ų | 157.8 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 91.3 | 158 | -66.6 | 163.9 | -173 | 168.4 | 0 | 118 | R1492 | K1490-R1492 PolarHBondContact O-N 3.43Š| ||
| 1491 | R | 24.5 | Very low | 28.5 | Very low | 221 Ų | 221 | 158 Ų | 158 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | 45.3 | 69 | 99.5 | -164.9 | -154.8 | -166.1 | -165.8 | 7.8 | 116 | |||||
| 1492 | R | 24.5 | Very low | 28.1 | Very low | 229 Ų | 229 | 157.3 Ų | 157.3 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | -122.4 | 116.8 | 129.4 | -87 | 180 | 165.6 | 162.5 | -5.5 | 106.5 | K1490 T1494 | K1490-R1492 PolarHBondContact O-N 3.43Å; R1492-T1494 PolarHBondContact O-N 3.02Å | |||
| 1493 | K | 27.2 | Very low | 27.9 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | 50.2 | 44 | 70.7 | -67.5 | -163.6 | 170.9 | -168.9 | 0 | 112 | T1495 | K1493-T1495 PolarHBondContact O-N 3.38Å; K1493-T1495 PolarHBondContact O-OG1 3.44Å | |||
| 1494 | T | 25.2 | Very low | 27.6 | Very low | 141 Ų | 141 | 160.5 Ų | 160.5 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -56.3 | 87.3 | 141 | 34.9 | 0 | 0 | 0 | 0 | 106.8 | R1492 I1496 | R1492-T1494 PolarHBondContact O-N 3.02Å; T1494-I1496 PolarHBondContact O-N 2.76Å; T1494-I1496 VanDerWaalsContact O-N 3.1Å | ||
| 1495 | T | 26 | Very low | 27.3 | Very low | 92 Ų | 92 | 162.1 Ų | 162.1 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 107.2 | -172.2 | -54.1 | 0 | 0 | 0 | 0 | 104.9 | K1493 K1497 | K1493-T1495 PolarHBondContact O-N 3.38Å; K1493-T1495 PolarHBondContact O-OG1 3.44Å; T1495-K1497 HydrophobicContact CG2-CB 3.97Å; T1495-K1497 HydrophobicContact CG2-CG 4.12Å; T1495-K1497 PolarHBondContact O-N 2.74Å | ||
| 1496 | I | 27.5 | Very low | 27 | Very low | 166 Ų | 166 | 160.4 Ų | 160.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -64.5 | 79.9 | 151.7 | -59.1 | -178.8 | 0 | 0 | 0 | 104.8 | T1494 R1498 | T1494-I1496 PolarHBondContact O-N 2.76Å; T1494-I1496 VanDerWaalsContact O-N 3.1Å; I1496-R1498 PolarHBondContact O-N 2.71Å | ||
| 1497 | K | 28.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 160 Ų | 160 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 100 | 169.7 | -143.1 | -180 | -176.9 | -169.7 | 0 | 101.1 | T1495 F1499 | T1495-K1497 HydrophobicContact CG2-CB 3.97Å; T1495-K1497 HydrophobicContact CG2-CG 4.12Å; T1495-K1497 PolarHBondContact O-N 2.74Å; K1497-F1499 PolarHBondContact O-N 2.68Å | ||
| 1498 | R | 28 | Very low | 27 | Very low | 222 Ų | 222 | 156.1 Ų | 156.1 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -37.4 | 120.5 | 169.1 | -83.4 | 173.1 | 158.6 | 159.1 | -9.7 | 106 | I1496 M1500 | I1496-R1498 PolarHBondContact O-N 2.71Å; R1498-M1500 PolarHBondContact O-N 2.97Å | ||
| 1499 | F | 28.1 | Very low | 26.4 | Very low | 164 Ų | 164 | 159.2 Ų | 159.2 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -65 | 95.8 | 161.9 | -92.2 | -95.9 | 0 | 0 | 0 | 105.2 | K1497 L1501 | K1497-F1499 PolarHBondContact O-N 2.68Å; F1499-L1501 PolarHBondContact O-N 2.83Å | ||
| 1500 | M | 25 | Very low | 26.6 | Very low | 137 Ų | 137 | 164.1 Ų | 164.1 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -63.8 | 84.8 | 151.3 | -73.9 | 178.3 | 58.2 | 0 | 0 | 105.3 | R1498 D1502 | R1498-M1500 PolarHBondContact O-N 2.97Å; M1500-D1502 WeakPolarHBondContact CE-OD1 3.3Å; M1500-D1502 PolarHBondContact O-N 3.31Å | ||
| 1501 | L | 28.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 162.5 Ų | 162.5 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | trans | -65.8 | 98.9 | 140.6 | -72.3 | 164.5 | 0 | 0 | 0 | 104 | R672 F1499 D1503 | R672-L1501 PolarHBondContact NH1-O 2.96Å; R672-L1501 PolarHBondContact NH2-O 2.86Å; F1499-L1501 PolarHBondContact O-N 2.83Å; L1501-D1503 PolarHBondContact O-N 3.3Å | ||
| 1502 | D | 24.9 | Very low | 26.9 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | trans | -72.8 | 110.7 | 165.7 | -71.6 | -48.4 | 0 | 0 | 0 | 107 | M1500 | M1500-D1502 WeakPolarHBondContact CE-OD1 3.3Å; M1500-D1502 PolarHBondContact O-N 3.31Å | ||
| 1503 | D | 29.2 | Very low | 27.1 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | 173.7 | 0 | 165.9 | -90.5 | -22.2 | 0 | 0 | 0 | 108.3 | L670 R672 L1501 | L670-D1503 WeakPolarHBondContact CD2-OXT 3.48Å; R672-D1503 PolarHBondContact NE-O 3.29Å; R672-D1503 VanDerWaalsContact NH2-C 3.33Å; R672-D1503 PolarHBondContact NH2-O 2.89Å; L1501-D1503 PolarHBondContact O-N 3.3Å |
Retrieved 1,503 of 1,503 residues in 2148.7 ms
(Link to these results)