| 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 | 64.6 | Low | 85.3 | Confident | 140 Ų | 140 | 59 Ų | 59 | 69% | 0.69 | 34% | 0.342 | S | S | * | . | 0 | 135.9 | 0 | -161.5 | 179.2 | -96.9 | 0 | 0 | 107.1 | L53 | M1-L53 HydrophobicContact CE-CB 4.05Å; M1-L53 HydrophobicContact CE-CD1 3.84Å; M1-L53 HydrophobicContact CE-CG 4.41Å; M1-L53 HydrophobicContact SD-CB 4.42Å; M1-L53 HydrophobicContact SD-CD1 3.98Å; M1-L53 HydrophobicContact SD-CD2 4.03Å; M1-L53 HydrophobicContact SD-CG 4.38Å | |||
| 2 | S | 79.8 | Confident | 85.6 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | trans | -66.5 | 145.9 | 175.4 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | N20 N116 | S2-N20 CarbonylContact C-O 3.55Å; S2-N20 VanDerWaalsContact CA-O 3.28Å; S2-N20 WeakPolarHBondContact CA-O 3.4Å; S2-N20 VanDerWaalsContact CB-O 3.25Å; S2-N20 WeakPolarHBondContact CB-O 3.25Å; S2-N116 PolarHBondContact O-ND2 3.18Å; S2-N116 VanDerWaalsContact O-ND2 3.09Å | ||
| 3 | E | 86.8 | Confident | 85.9 | Confident | 78 Ų | 78 | 55 Ų | 55 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 134.6 | 179.1 | -177.1 | 165 | -151.3 | 0 | 0 | 110.3 | I5 N20 A21 Y22 R115 | E3-I5 PolarHBondContact O-N 3.3Å; E3-N20 PolarHBondContact N-O 3.42Å; E3-A21 CarbonylContact O-C 3.56Å; E3-A21 WeakPolarHBondContact O-CA 3.28Å; E3-Y22 PolarHBondContact O-N 3.09Å; E3-R115 IonicContact OE1-CZ 3.55Å; E3-R115 IonicContact OE1-NH1 3.87Å; E3-R115 IonicContact OE1-NH2 2.79Å; E3-R115 PolarHBondContact OE1-NH2 2.93Å |
| 4 | F | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -84.8 | 108.7 | 173.9 | -171.9 | -96.4 | 0 | 0 | 0 | 109.3 | I6 L13 Y22 F56 N116 K119 M120 Y123 | F4-I6 HydrophobicContact CE1-CG1 4.39Å; F4-L13 HydrophobicContact CE2-CD1 4.3Å; F4-L13 HydrophobicContact CE2-CD2 4.09Å; F4-L13 HydrophobicContact CZ-CD1 4.34Å; F4-L13 HydrophobicContact CZ-CD2 4.45Å; F4-Y22 AromaticContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CG 4.02Å; F4-Y22 HydrophobicContact CE2-CD1 4.1Å; F4-F56 HydrophobicContact CE2-CE1 4.04Å; F4-F56 AromaticContact CE2-CE2 3.87Å; F4-F56 HydrophobicContact CE2-CE2 3.87Å; F4-F56 AromaticContact CE2-CZ 3.6Å; F4-F56 HydrophobicContact CE2-CZ 3.6Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.73Å; F4-F56 HydrophobicContact CZ-CZ 3.73Å; F4-N116 HydrophobicContact CB-CB 4.26Å; F4-N116 PolarHBondContact N-OD1 3.34Å; F4-K119 HydrophobicContact CD1-CB 3.63Å; F4-K119 HydrophobicContact CD1-CD 4.44Å; F4-K119 HydrophobicContact CE1-CB 4.15Å; F4-K119 WeakPolarHBondContact O-CD 3.32Å; F4-M120 HydrophobicContact CB-CE 4.09Å; F4-M120 HydrophobicContact CB-CG 4.25Å; F4-M120 HydrophobicContact CD1-CG 3.95Å; F4-M120 HydrophobicContact CD2-CE 3.44Å; F4-M120 VanDerWaalsContact CD2-CE 3.44Å; F4-M120 HydrophobicContact CD2-CG 3.51Å; F4-M120 HydrophobicContact CD2-SD 4.34Å; F4-M120 HydrophobicContact CE1-CG 4.14Å; F4-M120 HydrophobicContact CE2-CE 4.17Å; F4-M120 HydrophobicContact CE2-CG 3.73Å; F4-M120 HydrophobicContact CG-CE 4.01Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.03Å; F4-Y123 HydrophobicContact CZ-CD1 4.27Å; F4-Y123 HydrophobicContact CZ-CG 4.32Å | ||
| 5 | I | 90.8 | Very high | 86 | Confident | 72 Ų | 72 | 61 Ų | 61 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 126.6 | 174.3 | -56 | 179.7 | 0 | 0 | 0 | 107 | E3 V18 A21 | E3-I5 PolarHBondContact O-N 3.3Å; I5-V18 HydrophobicContact CD1-CB 4.18Å; I5-V18 HydrophobicContact CD1-CG1 4.08Å; I5-V18 HydrophobicContact CD1-CG2 4.37Å; I5-A21 HydrophobicContact CD1-CB 3.77Å; I5-A21 HydrophobicContact CG1-CB 4.23Å |
| 6 | I | 91.5 | Very high | 85.5 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 123.5 | -179.6 | -65.1 | 167 | 0 | 0 | 0 | 108.2 | F4 K119 D204 F205 L208 | F4-I6 HydrophobicContact CE1-CG1 4.39Å; I6-K119 HydrophobicContact CD1-CD 4.43Å; I6-K119 HydrophobicContact CD1-CG 4.34Å; I6-K119 HydrophobicContact CG1-CB 4.43Å; I6-K119 HydrophobicContact CG1-CD 4.37Å; I6-D204 HydrophobicContact CB-CB 4.28Å; I6-D204 HydrophobicContact CD1-CB 4.19Å; I6-F205 HydrophobicContact CD1-CB 3.76Å; I6-F205 HydrophobicContact CD1-CD2 4.31Å; I6-L208 HydrophobicContact CD1-CD1 3.71Å; I6-L208 HydrophobicContact CD1-CG 4.45Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.96Å; I6-L208 HydrophobicContact CG2-CD2 4.06Å; I6-L208 HydrophobicContact CG2-CG 4.12Å |
| 7 | P | 89.7 | Confident | 84.5 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 146.8 | -175.4 | 34.3 | -39 | 0 | 0 | 0 | 111.2 | A9 D12 L13 Y123 | P7-A9 WeakPolarHBondContact CB-O 3.47Å; P7-D12 HydrophobicContact CB-CB 3.95Å; P7-L13 HydrophobicContact CB-CD2 4.04Å; P7-L13 HydrophobicContact CB-CG 3.9Å; P7-L13 HydrophobicContact CG-CD1 3.91Å; P7-L13 HydrophobicContact CG-CD2 3.99Å; P7-L13 HydrophobicContact CG-CG 3.72Å; P7-Y123 HydrophobicContact CG-CD2 4.1Å; P7-Y123 HydrophobicContact CG-CE1 4.37Å; P7-Y123 HydrophobicContact CG-CE2 3.36Å |
| 8 | V | 83.7 | Confident | 84 | Confident | 147 Ų | 147 | 70.2 Ų | 70.2 | 89% | 0.891 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -74.2 | -42.3 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 110 | D12 | V8-D12 PolarHBondContact N-OD2 3.47Š|
| 9 | A | 85.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -122.8 | 144.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P7 A11 D12 | P7-A9 WeakPolarHBondContact CB-O 3.47Å; A9-A11 PolarHBondContact O-N 3.4Å; A9-D12 PolarHBondContact N-OD2 3.25Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.48Å; A9-D12 PolarHBondContact O-N 3.2Å |
| 10 | K | 86.7 | Confident | 83.5 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -49.2 | -34.7 | 178.1 | -171.8 | -176.5 | -71.7 | 174.3 | 0 | 113.2 | D12 L13 F60 L63 M131 | K10-D12 PolarHBondContact O-N 3.19Å; K10-L13 PolarHBondContact O-N 3.22Å; K10-F60 HydrophobicContact CD-CE2 4.4Å; K10-F60 HydrophobicContact CG-CE2 3.56Å; K10-F60 HydrophobicContact CG-CZ 3.84Å; K10-F60 WeakPolarHBondContact O-CZ 3.39Å; K10-L63 HydrophobicContact CD-CB 4.29Å; K10-L63 PolarHBondContact NZ-O 3.15Å; K10-M131 PolarHBondContact NZ-SD 2.84Å |
| 11 | A | 86.9 | Confident | 83.6 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -67.8 | -17.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A9 L13 L14 | A9-A11 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact C-N 3.27Å; A11-L13 PolarHBondContact O-N 3.14Å; A11-L14 WeakPolarHBondContact O-CB 3.18Å; A11-L14 PolarHBondContact O-N 2.94Å |
| 12 | D | 88.5 | Confident | 84.8 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -69.3 | -27.6 | 179.4 | -61 | -27.3 | 0 | 0 | 0 | 111.5 | P7 V8 A9 K10 L14 K15 | P7-D12 HydrophobicContact CB-CB 3.95Å; V8-D12 PolarHBondContact N-OD2 3.47Å; A9-D12 PolarHBondContact N-OD2 3.25Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.48Å; A9-D12 PolarHBondContact O-N 3.2Å; K10-D12 PolarHBondContact O-N 3.19Å; D12-L14 PolarHBondContact O-N 2.84Å; D12-K15 PolarHBondContact O-N 2.81Å; D12-K15 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 90.3 | Very high | 85.2 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -69.8 | -10.1 | 174.9 | -66.1 | -176 | 0 | 0 | 0 | 113.7 | F4 P7 K10 A11 V23 V24 F56 F60 Y123 | F4-L13 HydrophobicContact CE2-CD1 4.3Å; F4-L13 HydrophobicContact CE2-CD2 4.09Å; F4-L13 HydrophobicContact CZ-CD1 4.34Å; F4-L13 HydrophobicContact CZ-CD2 4.45Å; P7-L13 HydrophobicContact CB-CD2 4.04Å; P7-L13 HydrophobicContact CB-CG 3.9Å; P7-L13 HydrophobicContact CG-CD1 3.91Å; P7-L13 HydrophobicContact CG-CD2 3.99Å; P7-L13 HydrophobicContact CG-CG 3.72Å; K10-L13 PolarHBondContact O-N 3.22Å; A11-L13 VanDerWaalsContact C-N 3.27Å; A11-L13 PolarHBondContact O-N 3.14Å; L13-V23 WeakPolarHBondContact O-CA 3.35Å; L13-V23 WeakPolarHBondContact O-CG1 3.41Å; L13-V24 HydrophobicContact CB-CG2 3.99Å; L13-V24 PolarHBondContact O-N 3.1Å; L13-F56 HydrophobicContact CD1-CE1 3.77Å; L13-F56 HydrophobicContact CD1-CZ 3.72Å; L13-F60 HydrophobicContact CB-CE2 4Å; L13-F60 HydrophobicContact CB-CZ 4.03Å; L13-F60 HydrophobicContact CD1-CD2 3.83Å; L13-F60 HydrophobicContact CD1-CE2 3.64Å; L13-F60 HydrophobicContact CD1-CZ 4.49Å; L13-F60 HydrophobicContact CG-CE2 4.33Å; L13-Y123 HydrophobicContact CD1-CD1 4.48Å; L13-Y123 HydrophobicContact CD1-CE1 3.78Å |
| 14 | L | 89.6 | Confident | 85.3 | Confident | 63 Ų | 63 | 62 Ų | 62 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -93.9 | -8.2 | 174.9 | -61.3 | 174.3 | 0 | 0 | 0 | 112.6 | A11 D12 V24 V27 F60 | A11-L14 WeakPolarHBondContact O-CB 3.18Å; A11-L14 PolarHBondContact O-N 2.94Å; D12-L14 PolarHBondContact O-N 2.84Å; L14-V24 HydrophobicContact CD2-CB 4.28Å; L14-V24 HydrophobicContact CD2-CG1 4.36Å; L14-V27 HydrophobicContact CD2-CG2 3.54Å; L14-F60 HydrophobicContact CD2-CE1 3.93Å; L14-F60 HydrophobicContact CG-CE1 4.36Å; L14-F60 HydrophobicContact CG-CZ 4.47Å |
| 15 | K | 83.7 | Confident | 84.9 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -121 | 126.8 | -174.8 | -63.5 | 177.3 | -174.9 | 171.9 | 0 | 109.4 | D12 S17 | D12-K15 PolarHBondContact O-N 2.81Å; D12-K15 VanDerWaalsContact O-N 3.14Å; K15-S17 VanDerWaalsContact C-N 3.32Å; K15-S17 PolarHBondContact O-N 3.39Å |
| 16 | R | 77.2 | Confident | 84.6 | Confident | 176 Ų | 176 | 69 Ų | 69 | 66% | 0.664 | 39% | 0.386 | S | S | * | . | trans | -77.7 | 83.1 | 173 | -165.5 | 172.2 | -88.4 | -163.2 | -3.1 | 110.3 | V23 | R16-V23 HydrophobicContact CB-CG2 3.8Å; R16-V23 HydrophobicContact CG-CG2 3.95Å | ||
| 17 | S | 68.7 | Low | 84.4 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | trans | -81.9 | -34.2 | -180 | 58 | 0 | 0 | 0 | 0 | 113.3 | K15 | K15-S17 VanDerWaalsContact C-N 3.32Å; K15-S17 PolarHBondContact O-N 3.39Å | ||
| 18 | V | 76.5 | Confident | 84.5 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -118.6 | 133.3 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | I5 N20 A21 | I5-V18 HydrophobicContact CD1-CB 4.18Å; I5-V18 HydrophobicContact CD1-CG1 4.08Å; I5-V18 HydrophobicContact CD1-CG2 4.37Å; V18-N20 PolarHBondContact O-N 3Å; V18-A21 HydrophobicContact CB-CB 3.95Å; V18-A21 WeakPolarHBondContact O-CB 3.49Å; V18-A21 PolarHBondContact O-N 2.53Å |
| 19 | S | 76.8 | Confident | 84.7 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 125.2 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | A21 | S19-A21 VanDerWaalsContact C-N 3.34Š|
| 20 | N | 80.4 | Confident | 84.8 | Confident | 118 Ų | 118 | 65.6 Ų | 65.6 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.8 | -179.3 | -153.1 | 37.7 | 0 | 0 | 0 | 116.6 | S2 E3 V18 | S2-N20 CarbonylContact C-O 3.55Å; S2-N20 VanDerWaalsContact CA-O 3.28Å; S2-N20 WeakPolarHBondContact CA-O 3.4Å; S2-N20 VanDerWaalsContact CB-O 3.25Å; S2-N20 WeakPolarHBondContact CB-O 3.25Å; E3-N20 PolarHBondContact N-O 3.42Å; V18-N20 PolarHBondContact O-N 3Å |
| 21 | A | 86.3 | Confident | 84.7 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 7% | 0.066 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 148.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E3 I5 V18 S19 | E3-A21 CarbonylContact O-C 3.56Å; E3-A21 WeakPolarHBondContact O-CA 3.28Å; I5-A21 HydrophobicContact CD1-CB 3.77Å; I5-A21 HydrophobicContact CG1-CB 4.23Å; V18-A21 HydrophobicContact CB-CB 3.95Å; V18-A21 WeakPolarHBondContact O-CB 3.49Å; V18-A21 PolarHBondContact O-N 2.53Å; S19-A21 VanDerWaalsContact C-N 3.34Å |
| 22 | Y | 90.1 | Very high | 84.9 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | trans | -63.7 | 136.7 | 171.3 | -175.9 | -85.6 | 0 | 0 | 0 | 110.1 | E3 F4 V24 F56 D57 M120 | E3-Y22 PolarHBondContact O-N 3.09Å; F4-Y22 AromaticContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CG 4.02Å; F4-Y22 HydrophobicContact CE2-CD1 4.1Å; Y22-V24 HydrophobicContact CE1-CG2 4.2Å; Y22-F56 AromaticContact CE1-CD1 3.6Å; Y22-F56 HydrophobicContact CE1-CD1 3.6Å; Y22-F56 HydrophobicContact CE1-CE1 4.08Å; Y22-F56 HydrophobicContact CE1-CG 4.33Å; Y22-D57 PolarHBondContact OH-OD1 2.84Å; Y22-M120 HydrophobicContact CD1-CE 3.98Å; Y22-M120 HydrophobicContact CD2-CE 3.47Å; Y22-M120 VanDerWaalsContact CD2-CE 3.47Å; Y22-M120 HydrophobicContact CE1-CE 4.06Å; Y22-M120 HydrophobicContact CE2-CE 3.52Å; Y22-M120 HydrophobicContact CG-CE 3.71Å | ||
| 23 | V | 87.7 | Confident | 85 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | trans | -137.2 | 140.1 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | L13 R16 N25 | L13-V23 WeakPolarHBondContact O-CA 3.35Å; L13-V23 WeakPolarHBondContact O-CG1 3.41Å; R16-V23 HydrophobicContact CB-CG2 3.8Å; R16-V23 HydrophobicContact CG-CG2 3.95Å; V23-N25 PolarHBondContact O-N 3.2Å; V23-N25 PolarHBondContact O-ND2 3.23Å | ||
| 24 | V | 89.5 | Confident | 84.9 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | trans | -65.5 | 117.9 | 175 | 172.9 | 0 | 0 | 0 | 0 | 107.7 | L13 L14 Y22 V27 F56 D57 F60 | L13-V24 HydrophobicContact CB-CG2 3.99Å; L13-V24 PolarHBondContact O-N 3.1Å; L14-V24 HydrophobicContact CD2-CB 4.28Å; L14-V24 HydrophobicContact CD2-CG1 4.36Å; Y22-V24 HydrophobicContact CE1-CG2 4.2Å; V24-V27 HydrophobicContact CG1-CG2 4.1Å; V24-F56 HydrophobicContact CG2-CD1 4.18Å; V24-F56 HydrophobicContact CG2-CE1 3.96Å; V24-D57 WeakPolarHBondContact CA-OD1 3.39Å; V24-D57 HydrophobicContact CG1-CB 4.2Å; V24-F60 HydrophobicContact CB-CD1 4.17Å; V24-F60 HydrophobicContact CB-CE1 4.3Å; V24-F60 HydrophobicContact CG1-CD1 3.8Å; V24-F60 HydrophobicContact CG1-CE1 4.18Å; V24-F60 HydrophobicContact CG2-CB 4.32Å; V24-F60 HydrophobicContact CG2-CD1 3.57Å; V24-F60 HydrophobicContact CG2-CD2 4.33Å; V24-F60 HydrophobicContact CG2-CE1 3.88Å; V24-F60 HydrophobicContact CG2-CG 3.8Å; V24-F60 HydrophobicContact CG2-CZ 4.38Å | ||
| 25 | N | 83.6 | Confident | 84.9 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 68% | 0.679 | 42% | 0.419 | S | S | * | . | trans | -87.8 | -37.5 | -174.2 | -61.8 | -65.8 | 0 | 0 | 0 | 111.4 | V23 D57 | V23-N25 PolarHBondContact O-N 3.2Å; V23-N25 PolarHBondContact O-ND2 3.23Å; N25-D57 PolarHBondContact N-OD2 3.32Å | ||
| 26 | D | 83.5 | Confident | 85.3 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | trans | -127.3 | 111 | -176.5 | -166.8 | 13.5 | 0 | 0 | 0 | 110.8 | I28 D57 | D26-I28 PolarHBondContact O-N 3.06Å; D26-D57 PolarHBondContact N-OD2 3.11Å | ||
| 27 | V | 88.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | trans | -87 | 103.1 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | L14 V24 S29 S61 | L14-V27 HydrophobicContact CD2-CG2 3.54Å; V24-V27 HydrophobicContact CG1-CG2 4.1Å; V27-S29 PolarHBondContact O-N 3.21Å; V27-S61 WeakPolarHBondContact CA-OG 3.48Å | ||
| 28 | I | 90.6 | Very high | 87.2 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -70.8 | 122.1 | -174 | -55.4 | -179 | 0 | 0 | 0 | 109.5 | D26 N32 L33 Y36 T58 S61 | D26-I28 PolarHBondContact O-N 3.06Å; I28-N32 HydrophobicContact CG2-CB 3.51Å; I28-L33 HydrophobicContact CB-CD2 3.93Å; I28-L33 HydrophobicContact CG2-CD2 3.99Å; I28-L33 HydrophobicContact CG2-CG 4.27Å; I28-Y36 HydrophobicContact CD1-CD1 3.46Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.46Å; I28-Y36 HydrophobicContact CD1-CD2 4.38Å; I28-Y36 HydrophobicContact CD1-CE1 3.88Å; I28-Y36 HydrophobicContact CD1-CG 3.71Å; I28-Y36 HydrophobicContact CG2-CD2 4.12Å; I28-Y36 HydrophobicContact CG2-CE2 4.4Å; I28-Y36 HydrophobicContact CG2-CG 4.37Å; I28-T58 HydrophobicContact CD1-CG2 4.2Å; I28-S61 PolarHBondContact N-OG 2.97Å | ||
| 29 | S | 88.5 | Confident | 87.9 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | trans | -56.4 | 147.7 | 176.6 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | V27 R31 N32 L33 | V27-S29 PolarHBondContact O-N 3.21Å; S29-R31 PolarHBondContact O-N 2.65Å; S29-N32 WeakPolarHBondContact O-CA 3.26Å; S29-N32 PolarHBondContact O-N 2.83Å; S29-N32 PolarHBondContact OG-ND2 2.9Å; S29-L33 PolarHBondContact O-N 2.93Å | ||
| 30 | V | 86.9 | Confident | 88.7 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 24% | 0.242 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -48.1 | -41.2 | -178 | 179.7 | 0 | 0 | 0 | 0 | 113.4 | N32 L33 E65 N68 V69 | V30-N32 VanDerWaalsContact C-N 3.27Å; V30-N32 PolarHBondContact O-N 3.23Å; V30-L33 PolarHBondContact O-N 3.32Å; V30-E65 HydrophobicContact CG2-CB 3.88Å; V30-E65 HydrophobicContact CG2-CG 3.99Å; V30-N68 WeakPolarHBondContact CG1-O 3.24Å; V30-N68 HydrophobicContact CG2-CB 3.81Å; V30-V69 HydrophobicContact CG1-CG2 4.29Å; V30-V69 HydrophobicContact CG2-CG2 4.24Å |
| 31 | R | 85.9 | Confident | 89.4 | Confident | 226 Ų | 226 | 64.4 Ų | 64.4 | 85% | 0.853 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 179.2 | -66.8 | -177.4 | -176.6 | 170.5 | 1.9 | 113 | S29 | S29-R31 PolarHBondContact O-N 2.65Å |
| 32 | N | 90.7 | Very high | 89.8 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85.3 | -26.6 | -177.5 | -71.1 | -15.7 | 0 | 0 | 0 | 112.2 | I28 S29 V30 R34 N35 Y36 | I28-N32 HydrophobicContact CG2-CB 3.51Å; S29-N32 WeakPolarHBondContact O-CA 3.26Å; S29-N32 PolarHBondContact O-N 2.83Å; S29-N32 PolarHBondContact OG-ND2 2.9Å; V30-N32 VanDerWaalsContact C-N 3.27Å; V30-N32 PolarHBondContact O-N 3.23Å; N32-R34 PolarHBondContact O-N 3.01Å; N32-R34 VanDerWaalsContact O-N 3.12Å; N32-N35 PolarHBondContact O-N 3.14Å; N32-Y36 HydrophobicContact CB-CD2 4.16Å; N32-Y36 HydrophobicContact CB-CE2 4.1Å; N32-Y36 WeakPolarHBondContact O-CD2 3.38Å; N32-Y36 PolarHBondContact O-N 3.38Å |
| 33 | L | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -51.4 | -40 | -179.1 | -72.8 | 174.1 | 0 | 0 | 0 | 112.9 | I28 S29 V30 N35 Y36 L37 V62 V69 I73 | I28-L33 HydrophobicContact CB-CD2 3.93Å; I28-L33 HydrophobicContact CG2-CD2 3.99Å; I28-L33 HydrophobicContact CG2-CG 4.27Å; S29-L33 PolarHBondContact O-N 2.93Å; V30-L33 PolarHBondContact O-N 3.32Å; L33-N35 PolarHBondContact O-N 2.9Å; L33-N35 VanDerWaalsContact O-N 3.14Å; L33-Y36 PolarHBondContact O-N 3.16Å; L33-Y36 VanDerWaalsContact O-N 3.08Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.02Å; L33-V62 HydrophobicContact CD1-CG2 4.13Å; L33-V62 HydrophobicContact CD2-CG2 3.98Å; L33-V69 HydrophobicContact CD1-CG2 3.77Å; L33-I73 HydrophobicContact CB-CG2 4.31Å |
| 34 | R | 88 | Confident | 90.4 | Very high | 183 Ų | 183 | 71.3 Ų | 71.3 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.4 | -27.9 | 177.9 | -162.9 | 170.2 | -171.4 | 162.8 | 4.1 | 113.9 | N32 P38 I73 | N32-R34 PolarHBondContact O-N 3.01Å; N32-R34 VanDerWaalsContact O-N 3.12Å; R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.49Å; R34-I73 HydrophobicContact CB-CD1 4.34Å |
| 35 | N | 89.3 | Confident | 90.6 | Very high | 103 Ų | 103 | 76.5 Ų | 76.5 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -92.8 | -24.5 | 177.7 | -66.3 | -31.3 | 0 | 0 | 0 | 113.1 | N32 L33 | N32-N35 PolarHBondContact O-N 3.14Å; L33-N35 PolarHBondContact O-N 2.9Å; L33-N35 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 92.5 | Very high | 91.2 | Very high | 75 Ų | 75 | 74.8 Ų | 74.8 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -87.9 | -33.8 | -177.9 | -82.3 | -106.6 | 0 | 0 | 0 | 112.8 | I28 N32 L33 K39 C40 | I28-Y36 HydrophobicContact CD1-CD1 3.46Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.46Å; I28-Y36 HydrophobicContact CD1-CD2 4.38Å; I28-Y36 HydrophobicContact CD1-CE1 3.88Å; I28-Y36 HydrophobicContact CD1-CG 3.71Å; I28-Y36 HydrophobicContact CG2-CD2 4.12Å; I28-Y36 HydrophobicContact CG2-CE2 4.4Å; I28-Y36 HydrophobicContact CG2-CG 4.37Å; N32-Y36 HydrophobicContact CB-CD2 4.16Å; N32-Y36 HydrophobicContact CB-CE2 4.1Å; N32-Y36 WeakPolarHBondContact O-CD2 3.38Å; N32-Y36 PolarHBondContact O-N 3.38Å; L33-Y36 PolarHBondContact O-N 3.16Å; L33-Y36 VanDerWaalsContact O-N 3.08Å; Y36-K39 WeakPolarHBondContact O-CA 3.38Å; Y36-K39 WeakPolarHBondContact O-CB 3.36Å; Y36-K39 PolarHBondContact O-N 2.68Å; Y36-C40 WeakPolarHBondContact O-CB 3.24Å; Y36-C40 PolarHBondContact O-N 3.07Å |
| 37 | L | 93.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 176.7 | -69.1 | 176.4 | 0 | 0 | 0 | 113.3 | L33 K39 C40 Q41 T58 L59 V62 I73 N76 A77 I80 | L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.02Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.95Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 2.64Å; L37-Q41 PolarHBondContact O-N 3.45Å; L37-T58 HydrophobicContact CD2-CG2 4.14Å; L37-L59 HydrophobicContact CD2-CD2 3.82Å; L37-V62 HydrophobicContact CD2-CG2 4.17Å; L37-I73 HydrophobicContact CD1-CG2 3.64Å; L37-N76 HydrophobicContact CD1-CB 4.18Å; L37-A77 HydrophobicContact CD1-CB 4.19Å; L37-A77 HydrophobicContact CD2-CB 4.03Å; L37-I80 HydrophobicContact CB-CD1 3.93Å; L37-I80 HydrophobicContact CD2-CD1 4.05Å; L37-I80 WeakPolarHBondContact O-CD1 3.49Å |
| 38 | P | 92.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.2 | -21.6 | 173.7 | -21.9 | 34.5 | 0 | 0 | 0 | 114.3 | R34 R42 | R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.49Å; P38-R42 WeakPolarHBondContact O-CG 3.18Å; P38-R42 PolarHBondContact O-N 3.15Å; P38-R42 PolarHBondContact O-NE 3.05Å; P38-R42 VanDerWaalsContact O-NE 3.1Å |
| 39 | K | 91.8 | Very high | 92 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.2 | -49.7 | 170.7 | -68 | 176.4 | -177.8 | 178.5 | 0 | 109.6 | Y36 L37 Q41 R42 S43 | Y36-K39 WeakPolarHBondContact O-CA 3.38Å; Y36-K39 WeakPolarHBondContact O-CB 3.36Å; Y36-K39 PolarHBondContact O-N 2.68Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.95Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 2.76Å; K39-R42 WeakPolarHBondContact O-CA 3.45Å; K39-R42 WeakPolarHBondContact O-CB 3.37Å; K39-R42 PolarHBondContact O-N 3.12Å; K39-S43 PolarHBondContact O-N 3.08Å; K39-S43 PolarHBondContact O-OG 2.99Å; K39-S43 VanDerWaalsContact O-OG 3.12Å |
| 40 | C | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54 | -43.4 | 175 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | Y36 L37 R42 S43 L44 Y51 E55 T58 | Y36-C40 WeakPolarHBondContact O-CB 3.24Å; Y36-C40 PolarHBondContact O-N 3.07Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 2.64Å; C40-R42 PolarHBondContact O-N 3.38Å; C40-S43 WeakPolarHBondContact O-CB 3.42Å; C40-S43 PolarHBondContact O-N 3.19Å; C40-L44 PolarHBondContact O-N 3.16Å; C40-Y51 VanDerWaalsContact SG-CE2 3.56Å; C40-E55 HydrophobicContact CB-CB 4.44Å; C40-E55 HydrophobicContact CB-CG 4.48Å; C40-T58 HydrophobicContact CB-CG2 4.07Å |
| 41 | Q | 94.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 173.9 | -171 | 177.6 | 9.2 | 0 | 0 | 113.6 | L37 K39 T45 I80 | L37-Q41 PolarHBondContact O-N 3.45Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 2.76Å; Q41-T45 PolarHBondContact O-N 2.88Å; Q41-T45 VanDerWaalsContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 2.92Å; Q41-I80 HydrophobicContact CB-CD1 4.1Å; Q41-I80 HydrophobicContact CB-CG1 4.12Å; Q41-I80 HydrophobicContact CG-CG1 4.4Å |
| 42 | R | 95.1 | Very high | 93.3 | Very high | 161 Ų | 161 | 59.1 Ų | 59.1 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 174 | -76.6 | -179.5 | -75.1 | 167.9 | -6.2 | 111 | P38 K39 C40 L44 T45 S46 | P38-R42 WeakPolarHBondContact O-CG 3.18Å; P38-R42 PolarHBondContact O-N 3.15Å; P38-R42 PolarHBondContact O-NE 3.05Å; P38-R42 VanDerWaalsContact O-NE 3.1Å; K39-R42 WeakPolarHBondContact O-CA 3.45Å; K39-R42 WeakPolarHBondContact O-CB 3.37Å; K39-R42 PolarHBondContact O-N 3.12Å; C40-R42 PolarHBondContact O-N 3.38Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 3.01Å; R42-T45 WeakPolarHBondContact O-CB 3.48Å; R42-T45 PolarHBondContact O-N 3.33Å; R42-S46 PolarHBondContact O-N 2.97Å; R42-S46 PolarHBondContact O-OG 2.95Å |
| 43 | S | 95.1 | Very high | 93.5 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175.1 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | K39 C40 T45 S46 E47 Y51 E55 | K39-S43 PolarHBondContact O-N 3.08Å; K39-S43 PolarHBondContact O-OG 2.99Å; K39-S43 VanDerWaalsContact O-OG 3.12Å; C40-S43 WeakPolarHBondContact O-CB 3.42Å; C40-S43 PolarHBondContact O-N 3.19Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.14Å; S43-S46 WeakPolarHBondContact CA-OG 3.42Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 PolarHBondContact O-OG 2.88Å; S43-E47 WeakPolarHBondContact O-CB 3.47Å; S43-E47 PolarHBondContact O-N 3.28Å; S43-Y51 WeakPolarHBondContact O-CB 3.45Å; S43-E55 PolarHBondContact OG-OE1 3.35Å |
| 44 | L | 95.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -40.9 | 172.1 | 167.4 | 60 | 0 | 0 | 0 | 112.1 | C40 R42 G48 Y51 I80 K83 V87 | C40-L44 PolarHBondContact O-N 3.16Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 3.01Å; L44-G48 WeakPolarHBondContact O-CA 3.5Å; L44-G48 PolarHBondContact O-N 2.98Å; L44-G48 VanDerWaalsContact O-N 3.14Å; L44-Y51 HydrophobicContact CB-CD1 3.86Å; L44-Y51 HydrophobicContact CB-CD2 4.06Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.1Å; L44-Y51 HydrophobicContact CB-CG 3.93Å; L44-Y51 HydrophobicContact CD1-CD1 3.67Å; L44-Y51 HydrophobicContact CD1-CE1 3.46Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.46Å; L44-Y51 HydrophobicContact CD2-CE1 4.45Å; L44-Y51 HydrophobicContact CG-CD1 4.34Å; L44-Y51 HydrophobicContact CG-CE1 4.09Å; L44-I80 HydrophobicContact CD2-CG2 4.49Å; L44-K83 HydrophobicContact CD2-CB 4.33Å; L44-K83 HydrophobicContact CD2-CG 4.28Å; L44-V87 HydrophobicContact CD1-CB 4.2Å; L44-V87 HydrophobicContact CD1-CG1 4.26Å; L44-V87 HydrophobicContact CD1-CG2 4.3Å |
| 45 | T | 93.4 | Very high | 93.8 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 73% | 0.73 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.3 | -35.5 | -179.4 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | Q41 R42 S43 | Q41-T45 PolarHBondContact O-N 2.88Å; Q41-T45 VanDerWaalsContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 2.92Å; R42-T45 WeakPolarHBondContact O-CB 3.48Å; R42-T45 PolarHBondContact O-N 3.33Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.14Å |
| 46 | S | 94.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -85.2 | -38.8 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | R42 S43 | R42-S46 PolarHBondContact O-N 2.97Å; R42-S46 PolarHBondContact O-OG 2.95Å; S43-S46 WeakPolarHBondContact CA-OG 3.42Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 PolarHBondContact O-OG 2.88Å |
| 47 | E | 92.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -104.1 | -4 | -172.2 | -61.6 | 178.9 | -165.1 | 0 | 0 | 112.8 | S43 T50 Y51 H54 | S43-E47 WeakPolarHBondContact O-CB 3.47Å; S43-E47 PolarHBondContact O-N 3.28Å; E47-T50 PolarHBondContact O-OG1 3.12Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.34Å; E47-H54 IonicContact OE2-CD2 3.79Å |
| 48 | G | 93.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | 66.8 | -148.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L44 T50 Y51 Q91 | L44-G48 WeakPolarHBondContact O-CA 3.5Å; L44-G48 PolarHBondContact O-N 2.98Å; L44-G48 VanDerWaalsContact O-N 3.14Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 3.1Å; G48-Y51 WeakPolarHBondContact O-CD1 3.38Å; G48-Y51 PolarHBondContact O-N 2.9Å; G48-Q91 VanDerWaalsContact CA-OE1 3.25Å |
| 49 | F | 95 | Very high | 94.5 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -68.9 | -19.5 | -175.1 | 81 | -77.8 | 0 | 0 | 0 | 114.6 | Y51 I52 V87 C88 Q91 L92 H114 A117 H121 | F49-Y51 VanDerWaalsContact C-N 3.26Å; F49-Y51 PolarHBondContact O-N 3.26Å; F49-I52 WeakPolarHBondContact O-CG2 3.41Å; F49-V87 HydrophobicContact CB-CG1 4.34Å; F49-C88 VanDerWaalsContact CB-CA 3.5Å; F49-C88 HydrophobicContact CB-CB 3.77Å; F49-C88 HydrophobicContact CD2-CB 4.27Å; F49-C88 VanDerWaalsContact CD2-SG 3.57Å; F49-C88 HydrophobicContact CG-CB 4.27Å; F49-Q91 HydrophobicContact CD1-CB 3.79Å; F49-Q91 HydrophobicContact CE1-CB 4.19Å; F49-L92 HydrophobicContact CE2-CD1 4.48Å; F49-L92 HydrophobicContact CZ-CB 4.43Å; F49-L92 HydrophobicContact CZ-CD1 4.14Å; F49-H114 HydrophobicContact CE2-CB 4.46Å; F49-H114 HydrophobicContact CZ-CB 4.31Å; F49-H114 AromaticContact CZ-CD2 3.42Å; F49-H114 VanDerWaalsContact CZ-CD2 3.42Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.26Å; F49-H114 AromaticContact CZ-CG 3.92Å; F49-H114 AromaticContact CZ-NE2 4Å; F49-A117 HydrophobicContact CD2-CB 3.86Å; F49-A117 HydrophobicContact CE2-CB 3.86Å; F49-H121 PolarHBondContact O-NE2 3.33Å |
| 50 | T | 95 | Very high | 94.7 | Very high | 39 Ų | 39 | 41 Ų | 41 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -75.3 | -11.2 | -179.6 | 46.1 | 0 | 0 | 0 | 0 | 113.9 | E47 G48 I52 L53 T113 | E47-T50 PolarHBondContact O-OG1 3.12Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 3.1Å; T50-I52 PolarHBondContact O-N 3.36Å; T50-L53 HydrophobicContact CG2-CD1 4.39Å; T50-L53 WeakPolarHBondContact O-CB 3.48Å; T50-L53 WeakPolarHBondContact O-CG 3.27Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-T113 HydrophobicContact CG2-CG2 4.37Å |
| 51 | Y | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -50.9 | -31.6 | 174.4 | 88.3 | -77.4 | 0 | 0 | 0 | 112.7 | C40 S43 L44 E47 G48 F49 L53 H54 E55 L59 H121 | C40-Y51 VanDerWaalsContact SG-CE2 3.56Å; S43-Y51 WeakPolarHBondContact O-CB 3.45Å; L44-Y51 HydrophobicContact CB-CD1 3.86Å; L44-Y51 HydrophobicContact CB-CD2 4.06Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.1Å; L44-Y51 HydrophobicContact CB-CG 3.93Å; L44-Y51 HydrophobicContact CD1-CD1 3.67Å; L44-Y51 HydrophobicContact CD1-CE1 3.46Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.46Å; L44-Y51 HydrophobicContact CD2-CE1 4.45Å; L44-Y51 HydrophobicContact CG-CD1 4.34Å; L44-Y51 HydrophobicContact CG-CE1 4.09Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.34Å; G48-Y51 WeakPolarHBondContact O-CD1 3.38Å; G48-Y51 PolarHBondContact O-N 2.9Å; F49-Y51 VanDerWaalsContact C-N 3.26Å; F49-Y51 PolarHBondContact O-N 3.26Å; Y51-L53 PolarHBondContact O-N 3.44Å; Y51-L53 VanDerWaalsContact O-N 3.15Å; Y51-H54 PolarHBondContact O-N 3.32Å; Y51-E55 HydrophobicContact CD2-CB 3.75Å; Y51-E55 HydrophobicContact CD2-CG 4.02Å; Y51-E55 HydrophobicContact CE2-CB 4.05Å; Y51-E55 PolarHBondContact O-N 3.15Å; Y51-L59 HydrophobicContact CE2-CD1 4.47Å; Y51-H121 AromaticContact CE1-CE1 3.44Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.44Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.49Å; Y51-H121 AromaticContact CE1-NE2 3.91Å; Y51-H121 AromaticContact CZ-CE1 3.99Å |
| 52 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -27.1 | -175.8 | -161.5 | 62.5 | 0 | 0 | 0 | 112.2 | F49 T50 H54 E55 F56 L59 A117 M120 H121 L124 | F49-I52 WeakPolarHBondContact O-CG2 3.41Å; T50-I52 PolarHBondContact O-N 3.36Å; I52-H54 PolarHBondContact O-N 2.83Å; I52-H54 VanDerWaalsContact O-N 3.16Å; I52-E55 PolarHBondContact O-N 3.19Å; I52-F56 HydrophobicContact CD1-CB 4.4Å; I52-F56 HydrophobicContact CD1-CD2 4.43Å; I52-F56 HydrophobicContact CG1-CB 4.36Å; I52-F56 HydrophobicContact CG1-CD2 4.24Å; I52-F56 WeakPolarHBondContact O-CA 3.39Å; I52-F56 WeakPolarHBondContact O-CB 3.44Å; I52-F56 PolarHBondContact O-N 3.25Å; I52-L59 HydrophobicContact CD1-CD1 3.74Å; I52-A117 HydrophobicContact CG2-CB 3.74Å; I52-M120 HydrophobicContact CG1-CB 3.91Å; I52-M120 HydrophobicContact CG1-SD 4.49Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.31Å; I52-H121 WeakPolarHBondContact CB-NE2 3.45Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.45Å; I52-L124 HydrophobicContact CD1-CD1 3.63Å; I52-L124 HydrophobicContact CG1-CD1 4.34Å |
| 53 | L | 94.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -21.6 | 178.8 | -60.2 | 170.7 | 0 | 0 | 0 | 112.5 | M1 T50 Y51 T113 N116 A117 M120 | M1-L53 HydrophobicContact CE-CB 4.05Å; M1-L53 HydrophobicContact CE-CD1 3.84Å; M1-L53 HydrophobicContact CE-CG 4.41Å; M1-L53 HydrophobicContact SD-CB 4.42Å; M1-L53 HydrophobicContact SD-CD1 3.98Å; M1-L53 HydrophobicContact SD-CD2 4.03Å; M1-L53 HydrophobicContact SD-CG 4.38Å; T50-L53 HydrophobicContact CG2-CD1 4.39Å; T50-L53 WeakPolarHBondContact O-CB 3.48Å; T50-L53 WeakPolarHBondContact O-CG 3.27Å; T50-L53 PolarHBondContact O-N 2.97Å; Y51-L53 PolarHBondContact O-N 3.44Å; Y51-L53 VanDerWaalsContact O-N 3.15Å; L53-T113 HydrophobicContact CD1-CG2 3.37Å; L53-N116 HydrophobicContact CD2-CB 3.79Å; L53-A117 HydrophobicContact CD1-CB 4.44Å; L53-A117 HydrophobicContact CD2-CB 4.07Å; L53-A117 HydrophobicContact CG-CB 4.18Å; L53-M120 HydrophobicContact CD2-SD 3.95Å |
| 54 | H | 91.4 | Very high | 94.7 | Very high | 131 Ų | 131 | 31 Ų | 31 | 61% | 0.606 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -110.5 | -24.2 | 178.4 | -59.8 | -53.9 | 0 | 0 | 0 | 113 | E47 Y51 I52 | E47-H54 IonicContact OE2-CD2 3.79Å; Y51-H54 PolarHBondContact O-N 3.32Å; I52-H54 PolarHBondContact O-N 2.83Å; I52-H54 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 93.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -111.4 | 4.9 | -173.8 | -66.5 | -73.4 | 179.6 | 0 | 0 | 114.2 | C40 S43 Y51 I52 D57 T58 | C40-E55 HydrophobicContact CB-CB 4.44Å; C40-E55 HydrophobicContact CB-CG 4.48Å; S43-E55 PolarHBondContact OG-OE1 3.35Å; Y51-E55 HydrophobicContact CD2-CB 3.75Å; Y51-E55 HydrophobicContact CD2-CG 4.02Å; Y51-E55 HydrophobicContact CE2-CB 4.05Å; Y51-E55 PolarHBondContact O-N 3.15Å; I52-E55 PolarHBondContact O-N 3.19Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 3.05Å; E55-T58 WeakPolarHBondContact O-CB 3.44Å; E55-T58 PolarHBondContact O-N 3.2Å; E55-T58 VanDerWaalsContact O-N 3.14Å; E55-T58 PolarHBondContact OE2-OG1 2.99Å |
| 56 | F | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.2 | -43 | 178 | -178.9 | -88.5 | 0 | 0 | 0 | 112.1 | F4 L13 Y22 V24 I52 T58 L59 F60 M120 Y123 L124 | F4-F56 HydrophobicContact CE2-CE1 4.04Å; F4-F56 AromaticContact CE2-CE2 3.87Å; F4-F56 HydrophobicContact CE2-CE2 3.87Å; F4-F56 AromaticContact CE2-CZ 3.6Å; F4-F56 HydrophobicContact CE2-CZ 3.6Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.73Å; F4-F56 HydrophobicContact CZ-CZ 3.73Å; L13-F56 HydrophobicContact CD1-CE1 3.77Å; L13-F56 HydrophobicContact CD1-CZ 3.72Å; Y22-F56 AromaticContact CE1-CD1 3.6Å; Y22-F56 HydrophobicContact CE1-CD1 3.6Å; Y22-F56 HydrophobicContact CE1-CE1 4.08Å; Y22-F56 HydrophobicContact CE1-CG 4.33Å; V24-F56 HydrophobicContact CG2-CD1 4.18Å; V24-F56 HydrophobicContact CG2-CE1 3.96Å; I52-F56 HydrophobicContact CD1-CB 4.4Å; I52-F56 HydrophobicContact CD1-CD2 4.43Å; I52-F56 HydrophobicContact CG1-CB 4.36Å; I52-F56 HydrophobicContact CG1-CD2 4.24Å; I52-F56 WeakPolarHBondContact O-CA 3.39Å; I52-F56 WeakPolarHBondContact O-CB 3.44Å; I52-F56 PolarHBondContact O-N 3.25Å; F56-T58 PolarHBondContact O-N 3.44Å; F56-L59 PolarHBondContact O-N 2.9Å; F56-L59 VanDerWaalsContact O-N 3.15Å; F56-F60 HydrophobicContact CD1-CB 4.04Å; F56-F60 HydrophobicContact CE1-CB 3.74Å; F56-F60 AromaticContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CG 4.05Å; F56-F60 HydrophobicContact CZ-CB 4.39Å; F56-F60 HydrophobicContact CZ-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 3.4Å; F56-M120 HydrophobicContact CB-CE 4.42Å; F56-M120 HydrophobicContact CB-SD 4.11Å; F56-M120 HydrophobicContact CD2-CB 3.66Å; F56-M120 HydrophobicContact CD2-CG 3.62Å; F56-M120 HydrophobicContact CD2-SD 4.03Å; F56-M120 HydrophobicContact CE2-CB 3.92Å; F56-M120 HydrophobicContact CE2-CG 3.89Å; F56-M120 HydrophobicContact CG-CE 4.43Å; F56-M120 HydrophobicContact CG-CG 4.32Å; F56-M120 HydrophobicContact CG-SD 4.23Å; F56-Y123 HydrophobicContact CE2-CD1 4.13Å; F56-Y123 AromaticContact CZ-CD1 3.87Å; F56-Y123 HydrophobicContact CZ-CD1 3.87Å; F56-Y123 HydrophobicContact CZ-CE1 4.14Å; F56-L124 HydrophobicContact CD2-CD1 3.73Å; F56-L124 HydrophobicContact CD2-CD2 4.44Å; F56-L124 HydrophobicContact CD2-CG 4.07Å; F56-L124 HydrophobicContact CE2-CD1 3.88Å; F56-L124 HydrophobicContact CE2-CD2 3.91Å; F56-L124 HydrophobicContact CE2-CG 3.66Å; F56-L124 HydrophobicContact CZ-CD2 4.22Å; F56-L124 HydrophobicContact CZ-CG 4.43Å |
| 57 | D | 94.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.2 | -37.2 | 179.5 | -74.7 | 9.7 | 0 | 0 | 0 | 111.8 | Y22 V24 N25 D26 E55 S61 | Y22-D57 PolarHBondContact OH-OD1 2.84Å; V24-D57 WeakPolarHBondContact CA-OD1 3.39Å; V24-D57 HydrophobicContact CG1-CB 4.2Å; N25-D57 PolarHBondContact N-OD2 3.32Å; D26-D57 PolarHBondContact N-OD2 3.11Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 3.05Å; D57-S61 VanDerWaalsContact O-CB 3.26Å; D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 2.97Å; D57-S61 PolarHBondContact O-OG 2.78Å |
| 58 | T | 95.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I28 L37 C40 E55 F56 | I28-T58 HydrophobicContact CD1-CG2 4.2Å; L37-T58 HydrophobicContact CD2-CG2 4.14Å; C40-T58 HydrophobicContact CB-CG2 4.07Å; E55-T58 WeakPolarHBondContact O-CB 3.44Å; E55-T58 PolarHBondContact O-N 3.2Å; E55-T58 VanDerWaalsContact O-N 3.14Å; E55-T58 PolarHBondContact OE2-OG1 2.99Å; F56-T58 PolarHBondContact O-N 3.44Å |
| 59 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -77.5 | -35.8 | -177.8 | -63.9 | 172.6 | 0 | 0 | 0 | 111.9 | L37 Y51 I52 F56 S61 V62 L63 A77 I80 V81 L124 | L37-L59 HydrophobicContact CD2-CD2 3.82Å; Y51-L59 HydrophobicContact CE2-CD1 4.47Å; I52-L59 HydrophobicContact CD1-CD1 3.74Å; F56-L59 PolarHBondContact O-N 2.9Å; F56-L59 VanDerWaalsContact O-N 3.15Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.79Å; L59-V62 WeakPolarHBondContact O-CB 3.33Å; L59-V62 PolarHBondContact O-N 2.8Å; L59-L63 PolarHBondContact O-N 3.01Å; L59-A77 HydrophobicContact CD2-CB 4.38Å; L59-I80 HydrophobicContact CD1-CG2 4.23Å; L59-I80 HydrophobicContact CD2-CB 4.33Å; L59-I80 HydrophobicContact CD2-CG2 4.07Å; L59-V81 HydrophobicContact CB-CG2 4.49Å; L59-V81 HydrophobicContact CD1-CG2 3.91Å; L59-V81 HydrophobicContact CD2-CG2 4.12Å; L59-V81 HydrophobicContact CG-CG2 4.4Å; L59-L124 HydrophobicContact CB-CD1 3.85Å; L59-L124 HydrophobicContact CB-CD2 4.33Å; L59-L124 HydrophobicContact CD1-CD1 3.92Å |
| 60 | F | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 172.2 | 177.9 | -90 | 0 | 0 | 0 | 111.9 | K10 L13 L14 V24 F56 V62 L63 H64 Y123 | K10-F60 HydrophobicContact CD-CE2 4.4Å; K10-F60 HydrophobicContact CG-CE2 3.56Å; K10-F60 HydrophobicContact CG-CZ 3.84Å; K10-F60 WeakPolarHBondContact O-CZ 3.39Å; L13-F60 HydrophobicContact CB-CE2 4Å; L13-F60 HydrophobicContact CB-CZ 4.03Å; L13-F60 HydrophobicContact CD1-CD2 3.83Å; L13-F60 HydrophobicContact CD1-CE2 3.64Å; L13-F60 HydrophobicContact CD1-CZ 4.49Å; L13-F60 HydrophobicContact CG-CE2 4.33Å; L14-F60 HydrophobicContact CD2-CE1 3.93Å; L14-F60 HydrophobicContact CG-CE1 4.36Å; L14-F60 HydrophobicContact CG-CZ 4.47Å; V24-F60 HydrophobicContact CB-CD1 4.17Å; V24-F60 HydrophobicContact CB-CE1 4.3Å; V24-F60 HydrophobicContact CG1-CD1 3.8Å; V24-F60 HydrophobicContact CG1-CE1 4.18Å; V24-F60 HydrophobicContact CG2-CB 4.32Å; V24-F60 HydrophobicContact CG2-CD1 3.57Å; V24-F60 HydrophobicContact CG2-CD2 4.33Å; V24-F60 HydrophobicContact CG2-CE1 3.88Å; V24-F60 HydrophobicContact CG2-CG 3.8Å; V24-F60 HydrophobicContact CG2-CZ 4.38Å; F56-F60 HydrophobicContact CD1-CB 4.04Å; F56-F60 HydrophobicContact CE1-CB 3.74Å; F56-F60 AromaticContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CG 4.05Å; F56-F60 HydrophobicContact CZ-CB 4.39Å; F56-F60 HydrophobicContact CZ-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 3.4Å; F60-V62 PolarHBondContact O-N 3.44Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CA 3.26Å; F60-L63 WeakPolarHBondContact O-CB 3.4Å; F60-L63 PolarHBondContact O-N 3.05Å; F60-H64 HydrophobicContact CD1-CB 4.42Å; F60-H64 HydrophobicContact CE1-CB 4.07Å; F60-H64 PolarHBondContact O-N 3.33Å; F60-Y123 HydrophobicContact CD2-CE1 4.47Å |
| 61 | S | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -33.4 | 177 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | V27 I28 D57 L59 H64 E65 | V27-S61 WeakPolarHBondContact CA-OG 3.48Å; I28-S61 PolarHBondContact N-OG 2.97Å; D57-S61 VanDerWaalsContact O-CB 3.26Å; D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 2.97Å; D57-S61 PolarHBondContact O-OG 2.78Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.79Å; S61-H64 PolarHBondContact O-N 2.96Å; S61-E65 WeakPolarHBondContact O-CB 3.3Å; S61-E65 PolarHBondContact O-N 2.83Å |
| 62 | V | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 172.1 | -179 | 0 | 0 | 0 | 0 | 111.2 | L33 L37 L59 F60 H64 W66 V69 I73 A77 F128 | L33-V62 HydrophobicContact CD1-CG2 4.13Å; L33-V62 HydrophobicContact CD2-CG2 3.98Å; L37-V62 HydrophobicContact CD2-CG2 4.17Å; L59-V62 WeakPolarHBondContact O-CB 3.33Å; L59-V62 PolarHBondContact O-N 2.8Å; F60-V62 PolarHBondContact O-N 3.44Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 3.39Å; V62-W66 WeakPolarHBondContact O-CA 3.31Å; V62-W66 PolarHBondContact O-N 2.91Å; V62-V69 HydrophobicContact CG1-CG1 4.45Å; V62-I73 HydrophobicContact CG2-CG2 4.48Å; V62-A77 HydrophobicContact CB-CB 4.26Å; V62-A77 HydrophobicContact CG1-CB 3.9Å; V62-A77 HydrophobicContact CG2-CB 3.94Å; V62-F128 HydrophobicContact CB-CZ 4.12Å; V62-F128 HydrophobicContact CG1-CE1 4.14Å; V62-F128 HydrophobicContact CG1-CZ 4.03Å |
| 63 | L | 93.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -32.2 | 176 | -72.3 | 174.5 | 0 | 0 | 0 | 112.9 | K10 L59 F60 W66 L124 Q127 F128 M131 | K10-L63 HydrophobicContact CD-CB 4.29Å; K10-L63 PolarHBondContact NZ-O 3.15Å; L59-L63 PolarHBondContact O-N 3.01Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CA 3.26Å; F60-L63 WeakPolarHBondContact O-CB 3.4Å; F60-L63 PolarHBondContact O-N 3.05Å; L63-W66 HydrophobicContact CD2-CE3 4.24Å; L63-W66 HydrophobicContact CD2-CZ3 4.26Å; L63-L124 HydrophobicContact CD1-CD2 3.56Å; L63-Q127 HydrophobicContact CD1-CB 3.71Å; L63-Q127 HydrophobicContact CD2-CB 4.19Å; L63-F128 HydrophobicContact CD1-CD2 3.88Å; L63-F128 HydrophobicContact CD1-CE2 3.78Å; L63-F128 HydrophobicContact CD2-CD1 4.32Å; L63-F128 HydrophobicContact CD2-CD2 3.57Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.68Å; L63-F128 HydrophobicContact CD2-CG 3.92Å; L63-F128 HydrophobicContact CD2-CZ 4.12Å; L63-F128 HydrophobicContact CG-CD2 3.78Å; L63-F128 HydrophobicContact CG-CE2 3.44Å; L63-F128 VanDerWaalsContact CG-CE2 3.44Å; L63-F128 HydrophobicContact CG-CZ 4Å; L63-M131 HydrophobicContact CD2-CB 4.46Å; L63-M131 HydrophobicContact CD2-CG 3.7Å |
| 64 | H | 92.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 37.9 Ų | 37.9 | 37% | 0.366 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -72.9 | -46.7 | 178.6 | -174.2 | 69.5 | 0 | 0 | 0 | 111.2 | F60 S61 V62 W66 | F60-H64 HydrophobicContact CD1-CB 4.42Å; F60-H64 HydrophobicContact CE1-CB 4.07Å; F60-H64 PolarHBondContact O-N 3.33Å; S61-H64 PolarHBondContact O-N 2.96Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 3.39Å; H64-W66 VanDerWaalsContact C-N 3.26Å; H64-W66 PolarHBondContact O-N 3.45Å |
| 65 | E | 91.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -87.8 | 20.9 | -179.6 | -65.9 | -66.1 | 160 | 0 | 0 | 113.1 | V30 S61 Q67 N68 V69 | V30-E65 HydrophobicContact CG2-CB 3.88Å; V30-E65 HydrophobicContact CG2-CG 3.99Å; S61-E65 WeakPolarHBondContact O-CB 3.3Å; S61-E65 PolarHBondContact O-N 2.83Å; E65-Q67 PolarHBondContact O-N 3.02Å; E65-N68 WeakPolarHBondContact O-CA 3.19Å; E65-N68 PolarHBondContact O-N 3.44Å; E65-N68 PolarHBondContact OE2-ND2 3.44Å; E65-V69 HydrophobicContact CB-CG2 3.74Å; E65-V69 VanDerWaalsContact O-CG2 3.26Å; E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.27Å; E65-V69 VanDerWaalsContact O-N 3.15Å |
| 66 | W | 93.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -39.3 | -167.1 | -171.6 | -94.8 | 0 | 0 | 0 | 114.8 | V62 L63 H64 N68 K74 F128 M131 F132 E135 | V62-W66 WeakPolarHBondContact O-CA 3.31Å; V62-W66 PolarHBondContact O-N 2.91Å; L63-W66 HydrophobicContact CD2-CE3 4.24Å; L63-W66 HydrophobicContact CD2-CZ3 4.26Å; H64-W66 VanDerWaalsContact C-N 3.26Å; H64-W66 PolarHBondContact O-N 3.45Å; W66-N68 VanDerWaalsContact C-N 3.34Å; W66-K74 HydrophobicContact CD2-CD 4.27Å; W66-K74 HydrophobicContact CE3-CD 4.46Å; W66-K74 HydrophobicContact CE3-CG 4.37Å; W66-K74 HydrophobicContact CH2-CB 4.21Å; W66-K74 HydrophobicContact CH2-CD 4.01Å; W66-K74 HydrophobicContact CH2-CG 4.16Å; W66-K74 HydrophobicContact CZ2-CD 3.75Å; W66-K74 HydrophobicContact CZ2-CG 4.39Å; W66-K74 HydrophobicContact CZ3-CB 4.4Å; W66-K74 HydrophobicContact CZ3-CD 4.35Å; W66-K74 HydrophobicContact CZ3-CG 4.14Å; W66-K74 WeakPolarHBondContact O-CE 3.08Å; W66-K74 PolarHBondContact O-NZ 3.43Å; W66-K74 VanDerWaalsContact O-NZ 3.12Å; W66-F128 HydrophobicContact CH2-CD1 4.27Å; W66-F128 AromaticContact CZ3-CD1 3.87Å; W66-F128 HydrophobicContact CZ3-CD1 3.87Å; W66-F128 AromaticContact CZ3-CE1 3.85Å; W66-F128 HydrophobicContact CZ3-CE1 3.85Å; W66-M131 HydrophobicContact CD2-CB 3.73Å; W66-M131 HydrophobicContact CD2-CG 4.1Å; W66-M131 HydrophobicContact CE3-CB 3.92Å; W66-M131 HydrophobicContact CE3-CG 4.17Å; W66-M131 HydrophobicContact CG-CB 4.44Å; W66-M131 HydrophobicContact CG-SD 4.5Å; W66-M131 HydrophobicContact CH2-CB 3.68Å; W66-M131 HydrophobicContact CZ2-CB 3.5Å; W66-M131 HydrophobicContact CZ3-CB 3.89Å; W66-M131 HydrophobicContact CZ3-CG 4.46Å; W66-F132 HydrophobicContact CH2-CD1 4.21Å; W66-F132 AromaticContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CE1 4.12Å; W66-F132 AromaticContact CH2-CE2 3.74Å; W66-F132 HydrophobicContact CH2-CE2 3.74Å; W66-F132 HydrophobicContact CH2-CG 4.08Å; W66-F132 AromaticContact CH2-CZ 3.89Å; W66-F132 HydrophobicContact CH2-CZ 3.89Å; W66-F132 HydrophobicContact CZ2-CD1 4.18Å; W66-F132 HydrophobicContact CZ2-CD2 4.45Å; W66-F132 HydrophobicContact CZ2-CE1 4.35Å; W66-F132 HydrophobicContact CZ2-CG 4.22Å; W66-E135 VanDerWaalsContact CE2-OE2 3.23Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.46Å; W66-E135 PolarHBondContact NE1-OE2 3.31Å |
| 67 | Q | 89.5 | Confident | 92.7 | Very high | 185 Ų | 185 | 35.5 Ų | 35.5 | 86% | 0.864 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -22.5 | 179.5 | -65.5 | -177.8 | -5.9 | 0 | 0 | 113.5 | E65 | E65-Q67 PolarHBondContact O-N 3.02Š|
| 68 | N | 89.4 | Confident | 92.8 | Very high | 109 Ų | 109 | 34.6 Ų | 34.6 | 58% | 0.583 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -9 | -176 | -60.8 | -39.3 | 0 | 0 | 0 | 112.9 | V30 E65 W66 | V30-N68 WeakPolarHBondContact CG1-O 3.24Å; V30-N68 HydrophobicContact CG2-CB 3.81Å; E65-N68 WeakPolarHBondContact O-CA 3.19Å; E65-N68 PolarHBondContact O-N 3.44Å; E65-N68 PolarHBondContact OE2-ND2 3.44Å; W66-N68 VanDerWaalsContact C-N 3.34Å |
| 69 | V | 89.1 | Confident | 92.8 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -96.2 | 135.2 | -176.3 | 176.5 | 0 | 0 | 0 | 0 | 110 | V30 L33 V62 E65 I73 K74 | V30-V69 HydrophobicContact CG1-CG2 4.29Å; V30-V69 HydrophobicContact CG2-CG2 4.24Å; L33-V69 HydrophobicContact CD1-CG2 3.77Å; V62-V69 HydrophobicContact CG1-CG1 4.45Å; E65-V69 HydrophobicContact CB-CG2 3.74Å; E65-V69 VanDerWaalsContact O-CG2 3.26Å; E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.27Å; E65-V69 VanDerWaalsContact O-N 3.15Å; V69-I73 HydrophobicContact CG1-CB 3.37Å; V69-I73 HydrophobicContact CG1-CD1 4.31Å; V69-I73 HydrophobicContact CG1-CG1 4.39Å; V69-I73 HydrophobicContact CG1-CG2 3.28Å; V69-K74 HydrophobicContact CG1-CG 4.05Å; V69-K74 VanDerWaalsContact O-CE 3.22Å; V69-K74 WeakPolarHBondContact O-CE 3.24Å |
| 70 | D | 87.9 | Confident | 92.8 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | trans | -71.5 | 155.3 | 176.1 | 64.6 | -78.4 | 0 | 0 | 0 | 112.3 | G72 I73 K74 | D70-G72 PolarHBondContact O-N 2.87Å; D70-G72 VanDerWaalsContact O-N 3.15Å; D70-G72 PolarHBondContact OD2-N 2.93Å; D70-I73 PolarHBondContact O-N 3.39Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.44Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.46Å; D70-I73 PolarHBondContact OD2-N 3.41Å; D70-K74 PolarHBondContact O-N 2.85Å | ||
| 71 | S | 87.1 | Confident | 92.9 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55 | -35.8 | -178 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | I73 K74 E75 | S71-I73 VanDerWaalsContact C-N 3.35Å; S71-I73 PolarHBondContact O-N 3.26Å; S71-K74 WeakPolarHBondContact O-CB 3.42Å; S71-K74 PolarHBondContact O-N 3.15Å; S71-E75 WeakPolarHBondContact O-CB 3.43Å; S71-E75 VanDerWaalsContact O-CG 3.26Å; S71-E75 WeakPolarHBondContact O-CG 3.45Å; S71-E75 PolarHBondContact O-N 3.45Å |
| 72 | G | 88.2 | Confident | 93 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D70 N76 | D70-G72 PolarHBondContact O-N 2.87Å; D70-G72 VanDerWaalsContact O-N 3.15Å; D70-G72 PolarHBondContact OD2-N 2.93Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.44Å; G72-N76 PolarHBondContact O-ND2 3.42Å |
| 73 | I | 92.1 | Very high | 93 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -40.1 | 173.8 | -65.9 | 179.6 | 0 | 0 | 0 | 110.7 | L33 R34 L37 V62 V69 D70 S71 E75 N76 A77 | L33-I73 HydrophobicContact CB-CG2 4.31Å; R34-I73 HydrophobicContact CB-CD1 4.34Å; L37-I73 HydrophobicContact CD1-CG2 3.64Å; V62-I73 HydrophobicContact CG2-CG2 4.48Å; V69-I73 HydrophobicContact CG1-CB 3.37Å; V69-I73 HydrophobicContact CG1-CD1 4.31Å; V69-I73 HydrophobicContact CG1-CG1 4.39Å; V69-I73 HydrophobicContact CG1-CG2 3.28Å; D70-I73 PolarHBondContact O-N 3.39Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.44Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.46Å; D70-I73 PolarHBondContact OD2-N 3.41Å; S71-I73 VanDerWaalsContact C-N 3.35Å; S71-I73 PolarHBondContact O-N 3.26Å; I73-E75 PolarHBondContact O-N 3.29Å; I73-N76 PolarHBondContact O-N 3.47Å; I73-A77 WeakPolarHBondContact O-CB 3.44Å; I73-A77 PolarHBondContact O-N 2.85Å |
| 74 | K | 94.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 176 | -63.8 | 176.2 | -180 | 177.5 | 0 | 111.5 | W66 V69 D70 S71 A77 W78 F132 E135 | W66-K74 HydrophobicContact CD2-CD 4.27Å; W66-K74 HydrophobicContact CE3-CD 4.46Å; W66-K74 HydrophobicContact CE3-CG 4.37Å; W66-K74 HydrophobicContact CH2-CB 4.21Å; W66-K74 HydrophobicContact CH2-CD 4.01Å; W66-K74 HydrophobicContact CH2-CG 4.16Å; W66-K74 HydrophobicContact CZ2-CD 3.75Å; W66-K74 HydrophobicContact CZ2-CG 4.39Å; W66-K74 HydrophobicContact CZ3-CB 4.4Å; W66-K74 HydrophobicContact CZ3-CD 4.35Å; W66-K74 HydrophobicContact CZ3-CG 4.14Å; W66-K74 WeakPolarHBondContact O-CE 3.08Å; W66-K74 PolarHBondContact O-NZ 3.43Å; W66-K74 VanDerWaalsContact O-NZ 3.12Å; V69-K74 HydrophobicContact CG1-CG 4.05Å; V69-K74 VanDerWaalsContact O-CE 3.22Å; V69-K74 WeakPolarHBondContact O-CE 3.24Å; D70-K74 PolarHBondContact O-N 2.85Å; S71-K74 WeakPolarHBondContact O-CB 3.42Å; S71-K74 PolarHBondContact O-N 3.15Å; K74-A77 PolarHBondContact O-N 3.28Å; K74-W78 WeakPolarHBondContact O-CB 3.49Å; K74-W78 PolarHBondContact O-N 2.99Å; K74-F132 HydrophobicContact CB-CE1 4.2Å; K74-F132 HydrophobicContact CB-CZ 3.92Å; K74-E135 IonicContact NZ-OE1 2.64Å; K74-E135 PolarHBondContact NZ-OE1 2.85Å; K74-E135 IonicContact NZ-OE2 2.67Å; K74-E135 PolarHBondContact NZ-OE2 3.14Å |
| 75 | E | 92.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -42 | 178.6 | -69.3 | -179.5 | -175.7 | 0 | 0 | 112.4 | S71 I73 A77 W78 H79 L169 C170 M171 | S71-E75 WeakPolarHBondContact O-CB 3.43Å; S71-E75 VanDerWaalsContact O-CG 3.26Å; S71-E75 WeakPolarHBondContact O-CG 3.45Å; S71-E75 PolarHBondContact O-N 3.45Å; I73-E75 PolarHBondContact O-N 3.29Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.88Å; E75-W78 WeakPolarHBondContact O-CB 3.14Å; E75-W78 PolarHBondContact O-N 2.92Å; E75-H79 PolarHBondContact O-CD2 3.38Å; E75-H79 PolarHBondContact O-N 3.11Å; E75-L169 HydrophobicContact CG-CD2 4.19Å; E75-L169 VanDerWaalsContact OE1-CA 3.27Å; E75-L169 WeakPolarHBondContact OE1-CA 3.28Å; E75-C170 PolarHBondContact OE1-N 3.42Å; E75-C170 VanDerWaalsContact OE2-CB 3.28Å; E75-C170 WeakPolarHBondContact OE2-CB 3.48Å; E75-M171 HydrophobicContact CB-CE 3.52Å; E75-M171 HydrophobicContact CG-CE 3.51Å; E75-M171 HydrophobicContact CG-CG 4.47Å; E75-M171 HydrophobicContact CG-SD 4.32Å |
| 76 | N | 93.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 174 | -76.3 | -39.1 | 0 | 0 | 0 | 111.7 | L37 G72 I73 H79 I80 | L37-N76 HydrophobicContact CD1-CB 4.18Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.44Å; G72-N76 PolarHBondContact O-ND2 3.42Å; I73-N76 PolarHBondContact O-N 3.47Å; N76-H79 PolarHBondContact O-N 3.37Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 2.74Å |
| 77 | A | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 L59 V62 I73 K74 E75 H79 I80 V81 F128 | L37-A77 HydrophobicContact CD1-CB 4.19Å; L37-A77 HydrophobicContact CD2-CB 4.03Å; L59-A77 HydrophobicContact CD2-CB 4.38Å; V62-A77 HydrophobicContact CB-CB 4.26Å; V62-A77 HydrophobicContact CG1-CB 3.9Å; V62-A77 HydrophobicContact CG2-CB 3.94Å; I73-A77 WeakPolarHBondContact O-CB 3.44Å; I73-A77 PolarHBondContact O-N 2.85Å; K74-A77 PolarHBondContact O-N 3.28Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.88Å; A77-H79 PolarHBondContact O-N 2.92Å; A77-I80 PolarHBondContact O-N 3.47Å; A77-V81 VanDerWaalsContact O-CG2 3.29Å; A77-V81 WeakPolarHBondContact O-CG2 3Å; A77-V81 PolarHBondContact O-N 2.84Å; A77-F128 HydrophobicContact CB-CE1 3.72Å; A77-F128 HydrophobicContact CB-CZ 3.75Å |
| 78 | W | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.8 | -51.7 | 172.6 | 172.3 | -106.9 | 0 | 0 | 0 | 112 | K74 E75 I80 V81 L82 L125 F128 V129 F132 M171 W173 E176 A180 | K74-W78 WeakPolarHBondContact O-CB 3.49Å; K74-W78 PolarHBondContact O-N 2.99Å; E75-W78 WeakPolarHBondContact O-CB 3.14Å; E75-W78 PolarHBondContact O-N 2.92Å; W78-I80 VanDerWaalsContact C-N 3.27Å; W78-I80 PolarHBondContact O-N 3.17Å; W78-V81 PolarHBondContact O-N 3.31Å; W78-V81 VanDerWaalsContact O-N 3.13Å; W78-L82 HydrophobicContact CZ2-CB 4.44Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 3.42Å; W78-L82 PolarHBondContact O-N 3.14Å; W78-L125 HydrophobicContact CH2-CD1 3.91Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; W78-F128 HydrophobicContact CE3-CB 3.79Å; W78-F128 HydrophobicContact CE3-CD1 4.45Å; W78-F128 HydrophobicContact CE3-CG 4.45Å; W78-F128 HydrophobicContact CZ3-CB 3.88Å; W78-V129 HydrophobicContact CH2-CG2 3.69Å; W78-V129 HydrophobicContact CZ3-CG2 3.85Å; W78-F132 HydrophobicContact CB-CE2 3.8Å; W78-F132 HydrophobicContact CB-CZ 4.08Å; W78-F132 HydrophobicContact CD2-CE2 4.2Å; W78-F132 HydrophobicContact CE3-CD2 4.22Å; W78-F132 HydrophobicContact CE3-CE2 4.02Å; W78-F132 HydrophobicContact CG-CE2 4.13Å; W78-M171 HydrophobicContact CB-CE 4.32Å; W78-M171 VanDerWaalsContact CD1-CE 3.49Å; W78-M171 HydrophobicContact CG-CE 4.16Å; W78-M171 HydrophobicContact CG-SD 4.25Å; W78-W173 HydrophobicContact CD2-CZ3 4.36Å; W78-W173 HydrophobicContact CE3-CZ3 4.47Å; W78-W173 AromaticContact CH2-CH2 3.97Å; W78-W173 HydrophobicContact CH2-CH2 3.97Å; W78-W173 HydrophobicContact CH2-CZ3 4.08Å; W78-W173 HydrophobicContact CZ2-CH2 4.34Å; W78-W173 HydrophobicContact CZ2-CZ3 4.02Å; W78-W173 HydrophobicContact CZ3-CH2 4.19Å; W78-W173 HydrophobicContact CZ3-CZ3 4.34Å; W78-E176 HydrophobicContact CZ2-CB 4.03Å; W78-E176 PolarHBondContact NE1-OE2 2.67Å; W78-A180 HydrophobicContact CH2-CB 3.51Å; W78-A180 HydrophobicContact CZ2-CB 3.91Å |
| 79 | H | 95.2 | Very high | 94.8 | Very high | 84 Ų | 84 | 27.3 Ų | 27.3 | 39% | 0.389 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.4 | -37.6 | -179.8 | -71.5 | -50.9 | 0 | 0 | 0 | 112.1 | E75 N76 A77 K83 M171 | E75-H79 PolarHBondContact O-CD2 3.38Å; E75-H79 PolarHBondContact O-N 3.11Å; N76-H79 PolarHBondContact O-N 3.37Å; A77-H79 PolarHBondContact O-N 2.92Å; H79-K83 WeakPolarHBondContact O-CB 3.39Å; H79-K83 PolarHBondContact O-N 2.64Å; H79-M171 WeakPolarHBondContact NE2-CE 3.27Å |
| 80 | I | 97.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 175.2 | -64.8 | 163.9 | 0 | 0 | 0 | 111 | L37 Q41 L44 L59 N76 A77 W78 G84 | L37-I80 HydrophobicContact CB-CD1 3.93Å; L37-I80 HydrophobicContact CD2-CD1 4.05Å; L37-I80 WeakPolarHBondContact O-CD1 3.49Å; Q41-I80 HydrophobicContact CB-CD1 4.1Å; Q41-I80 HydrophobicContact CB-CG1 4.12Å; Q41-I80 HydrophobicContact CG-CG1 4.4Å; L44-I80 HydrophobicContact CD2-CG2 4.49Å; L59-I80 HydrophobicContact CD1-CG2 4.23Å; L59-I80 HydrophobicContact CD2-CB 4.33Å; L59-I80 HydrophobicContact CD2-CG2 4.07Å; N76-I80 WeakPolarHBondContact O-CG1 3.39Å; N76-I80 PolarHBondContact O-N 2.74Å; A77-I80 PolarHBondContact O-N 3.47Å; W78-I80 VanDerWaalsContact C-N 3.27Å; W78-I80 PolarHBondContact O-N 3.17Å; I80-G84 WeakPolarHBondContact O-CA 3.33Å; I80-G84 PolarHBondContact O-N 3.2Å |
| 81 | V | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -53.5 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L59 A77 W78 K83 G84 Y85 L124 L125 F128 | L59-V81 HydrophobicContact CB-CG2 4.49Å; L59-V81 HydrophobicContact CD1-CG2 3.91Å; L59-V81 HydrophobicContact CD2-CG2 4.12Å; L59-V81 HydrophobicContact CG-CG2 4.4Å; A77-V81 VanDerWaalsContact O-CG2 3.29Å; A77-V81 WeakPolarHBondContact O-CG2 3Å; A77-V81 PolarHBondContact O-N 2.84Å; W78-V81 PolarHBondContact O-N 3.31Å; W78-V81 VanDerWaalsContact O-N 3.13Å; V81-K83 PolarHBondContact O-N 3.4Å; V81-G84 PolarHBondContact O-N 3.01Å; V81-Y85 WeakPolarHBondContact O-CB 3.35Å; V81-Y85 PolarHBondContact O-N 3.47Å; V81-L124 HydrophobicContact CG1-CB 4.13Å; V81-L124 HydrophobicContact CG2-CB 4.4Å; V81-L125 HydrophobicContact CG1-CB 4.05Å; V81-L125 HydrophobicContact CG1-CD1 4Å; V81-F128 HydrophobicContact CG1-CD2 4.36Å; V81-F128 HydrophobicContact CG2-CD2 3.88Å; V81-F128 HydrophobicContact CG2-CE2 3.69Å; V81-F128 HydrophobicContact CG2-CG 4.49Å; V81-F128 HydrophobicContact CG2-CZ 4.16Å |
| 82 | L | 98 | Very high | 95.8 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 179.3 | -179.2 | 60.7 | 0 | 0 | 0 | 110.8 | W78 G84 Y85 E86 L125 E176 K179 A180 | W78-L82 HydrophobicContact CZ2-CB 4.44Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 3.42Å; W78-L82 PolarHBondContact O-N 3.14Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.5Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 3.45Å; L82-E86 WeakPolarHBondContact O-CG 3.43Å; L82-E86 PolarHBondContact O-N 2.96Å; L82-L125 HydrophobicContact CB-CD1 4.49Å; L82-L125 HydrophobicContact CD1-CD1 4.13Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.43Å; L82-K179 HydrophobicContact CD2-CB 4.16Å; L82-K179 HydrophobicContact CD2-CD 4.46Å; L82-A180 HydrophobicContact CD1-CB 4.15Å |
| 83 | K | 97.3 | Very high | 96.1 | Very high | 102 Ų | 102 | 30.8 Ų | 30.8 | 44% | 0.443 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 178.2 | -170.6 | 56.3 | 173.8 | -176.7 | 0 | 112.2 | L44 H79 V81 Y85 E86 V87 | L44-K83 HydrophobicContact CD2-CB 4.33Å; L44-K83 HydrophobicContact CD2-CG 4.28Å; H79-K83 WeakPolarHBondContact O-CB 3.39Å; H79-K83 PolarHBondContact O-N 2.64Å; V81-K83 PolarHBondContact O-N 3.4Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 3.44Å; K83-E86 VanDerWaalsContact CD-OE2 3.27Å; K83-E86 WeakPolarHBondContact CD-OE2 3.36Å; K83-E86 IonicContact NZ-OE2 2.75Å; K83-E86 PolarHBondContact NZ-OE2 3.12Å; K83-E86 PolarHBondContact O-N 3.15Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.22Å; K83-V87 PolarHBondContact O-N 2.89Å |
| 84 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I80 V81 L82 V87 C88 | I80-G84 WeakPolarHBondContact O-CA 3.33Å; I80-G84 PolarHBondContact O-N 3.2Å; V81-G84 PolarHBondContact O-N 3.01Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.5Å; G84-V87 PolarHBondContact O-N 3.39Å; G84-C88 WeakPolarHBondContact O-CB 3.16Å; G84-C88 PolarHBondContact O-N 2.81Å |
| 85 | Y | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.1 | -151.6 | -91.5 | 0 | 0 | 0 | 112.6 | V81 L82 K83 V87 C88 V89 H121 T122 L125 A183 L184 I187 | V81-Y85 WeakPolarHBondContact O-CB 3.35Å; V81-Y85 PolarHBondContact O-N 3.47Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 3.45Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 3.44Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 2.96Å; Y85-C88 CarbonylContact O-C 3.6Å; Y85-C88 WeakPolarHBondContact O-CA 2.97Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 2.95Å; Y85-C88 VanDerWaalsContact O-N 3.08Å; Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.34Å; Y85-V89 PolarHBondContact O-N 3.41Å; Y85-H121 HydrophobicContact CD2-CB 3.7Å; Y85-H121 HydrophobicContact CE2-CB 3.89Å; Y85-T122 VanDerWaalsContact CE2-CA 3.49Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.21Å; Y85-T122 PolarHBondContact OH-OG1 2.76Å; Y85-L125 HydrophobicContact CD1-CD2 3.67Å; Y85-L125 HydrophobicContact CD2-CB 4Å; Y85-L125 HydrophobicContact CD2-CD2 3.78Å; Y85-L125 HydrophobicContact CE1-CD2 3.99Å; Y85-L125 HydrophobicContact CE2-CB 4.39Å; Y85-L125 HydrophobicContact CE2-CD2 4.16Å; Y85-L125 HydrophobicContact CG-CB 4.5Å; Y85-L125 HydrophobicContact CG-CD2 3.53Å; Y85-A183 HydrophobicContact CD1-CB 3.81Å; Y85-A183 HydrophobicContact CE1-CB 4.35Å; Y85-A183 WeakPolarHBondContact CE1-O 3.21Å; Y85-L184 HydrophobicContact CE1-CD2 4.03Å; Y85-L184 HydrophobicContact CE2-CD2 4.41Å; Y85-L184 VanDerWaalsContact OH-CD2 3.3Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.33Å; Y85-I187 HydrophobicContact CE1-CB 3.97Å; Y85-I187 HydrophobicContact CE1-CG2 3.91Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.39Å |
| 86 | E | 98 | Very high | 95.7 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.2 | -36.6 | 174.8 | -70.3 | 179.6 | 168 | 0 | 0 | 112.4 | L82 K83 R90 | L82-E86 WeakPolarHBondContact O-CG 3.43Å; L82-E86 PolarHBondContact O-N 2.96Å; K83-E86 VanDerWaalsContact CD-OE2 3.27Å; K83-E86 WeakPolarHBondContact CD-OE2 3.36Å; K83-E86 IonicContact NZ-OE2 2.75Å; K83-E86 PolarHBondContact NZ-OE2 3.12Å; K83-E86 PolarHBondContact O-N 3.15Å; E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 PolarHBondContact O-NH2 2.88Å |
| 87 | V | 97.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L44 F49 K83 G84 Y85 R90 Q91 | L44-V87 HydrophobicContact CD1-CB 4.2Å; L44-V87 HydrophobicContact CD1-CG1 4.26Å; L44-V87 HydrophobicContact CD1-CG2 4.3Å; F49-V87 HydrophobicContact CB-CG1 4.34Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.22Å; K83-V87 PolarHBondContact O-N 2.89Å; G84-V87 PolarHBondContact O-N 3.39Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 2.96Å; V87-R90 PolarHBondContact O-N 2.71Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.27Å; V87-Q91 PolarHBondContact O-N 3.04Å |
| 88 | C | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 172.5 | -169.7 | 0 | 0 | 0 | 0 | 111 | F49 G84 Y85 R90 L92 | F49-C88 VanDerWaalsContact CB-CA 3.5Å; F49-C88 HydrophobicContact CB-CB 3.77Å; F49-C88 HydrophobicContact CD2-CB 4.27Å; F49-C88 VanDerWaalsContact CD2-SG 3.57Å; F49-C88 HydrophobicContact CG-CB 4.27Å; G84-C88 WeakPolarHBondContact O-CB 3.16Å; G84-C88 PolarHBondContact O-N 2.81Å; Y85-C88 CarbonylContact O-C 3.6Å; Y85-C88 WeakPolarHBondContact O-CA 2.97Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 2.95Å; Y85-C88 VanDerWaalsContact O-N 3.08Å; C88-R90 PolarHBondContact O-N 2.88Å; C88-L92 WeakPolarHBondContact O-CA 3.36Å; C88-L92 WeakPolarHBondContact O-CB 3.48Å; C88-L92 PolarHBondContact O-N 3.25Å |
| 89 | V | 97.7 | Very high | 94 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.7 | -51.1 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | Y85 G93 Q186 I187 | Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.34Å; Y85-V89 PolarHBondContact O-N 3.41Å; V89-G93 WeakPolarHBondContact O-CA 3.35Å; V89-G93 PolarHBondContact O-N 2.94Å; V89-Q186 HydrophobicContact CG1-CB 3.77Å; V89-Q186 HydrophobicContact CG2-CB 4.39Å; V89-I187 VanDerWaalsContact CA-CD1 3.47Å; V89-I187 HydrophobicContact CB-CD1 4.11Å; V89-I187 HydrophobicContact CG2-CB 3.94Å; V89-I187 HydrophobicContact CG2-CD1 3.64Å; V89-I187 HydrophobicContact CG2-CG1 4.36Å |
| 90 | R | 96.4 | Very high | 92.7 | Very high | 137 Ų | 137 | 38 Ų | 38 | 52% | 0.517 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.2 | -47.7 | -175.4 | -165.9 | -171.8 | -42.8 | 88.3 | 15.9 | 113 | E86 V87 C88 S94 | E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 PolarHBondContact O-NH2 2.88Å; V87-R90 PolarHBondContact O-N 2.71Å; C88-R90 PolarHBondContact O-N 2.88Å; R90-S94 PolarHBondContact O-N 3.17Å; R90-S94 VanDerWaalsContact O-N 3.09Å |
| 91 | Q | 96.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 42 Ų | 42 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74 | -44.4 | -175.4 | -70.6 | -176.9 | -13.3 | 0 | 0 | 111.1 | G48 F49 V87 G93 S94 V95 | G48-Q91 VanDerWaalsContact CA-OE1 3.25Å; F49-Q91 HydrophobicContact CD1-CB 3.79Å; F49-Q91 HydrophobicContact CE1-CB 4.19Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.27Å; V87-Q91 PolarHBondContact O-N 3.04Å; Q91-G93 VanDerWaalsContact C-N 3.31Å; Q91-G93 PolarHBondContact O-N 3.17Å; Q91-S94 PolarHBondContact O-N 3.15Å; Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 2.89Å |
| 92 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -36.4 | 175.7 | -172.3 | 59 | 0 | 0 | 0 | 111.4 | F49 C88 V95 L96 H114 L118 I187 L192 L195 | F49-L92 HydrophobicContact CE2-CD1 4.48Å; F49-L92 HydrophobicContact CZ-CB 4.43Å; F49-L92 HydrophobicContact CZ-CD1 4.14Å; C88-L92 WeakPolarHBondContact O-CA 3.36Å; C88-L92 WeakPolarHBondContact O-CB 3.48Å; C88-L92 PolarHBondContact O-N 3.25Å; L92-V95 PolarHBondContact O-N 3.33Å; L92-L96 HydrophobicContact CD1-CD1 4.3Å; L92-L96 HydrophobicContact CD1-CG 4.18Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.26Å; L92-L96 PolarHBondContact O-N 3.28Å; L92-H114 HydrophobicContact CD1-CB 4.07Å; L92-L118 HydrophobicContact CD2-CB 4.36Å; L92-L118 HydrophobicContact CD2-CD1 4.23Å; L92-L118 HydrophobicContact CD2-CD2 4.21Å; L92-I187 HydrophobicContact CD2-CD1 4.28Å; L92-L192 HydrophobicContact CD2-CD2 4.16Å; L92-L195 HydrophobicContact CD1-CD1 4.22Å; L92-L195 HydrophobicContact CD2-CD1 4.08Å |
| 93 | G | 93 | Very high | 89 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -51 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | V89 Q91 V95 L96 E97 | V89-G93 WeakPolarHBondContact O-CA 3.35Å; V89-G93 PolarHBondContact O-N 2.94Å; Q91-G93 VanDerWaalsContact C-N 3.31Å; Q91-G93 PolarHBondContact O-N 3.17Å; G93-V95 VanDerWaalsContact C-N 3.35Å; G93-V95 PolarHBondContact O-N 3.39Å; G93-L96 PolarHBondContact O-N 3.45Å; G93-E97 WeakPolarHBondContact O-CB 3.48Å; G93-E97 WeakPolarHBondContact O-CG 3.29Å; G93-E97 PolarHBondContact O-N 3.49Å |
| 94 | S | 91.2 | Very high | 87.7 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | R90 Q91 E97 S98 | R90-S94 PolarHBondContact O-N 3.17Å; R90-S94 VanDerWaalsContact O-N 3.09Å; Q91-S94 PolarHBondContact O-N 3.15Å; S94-E97 PolarHBondContact O-N 2.84Å; S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 3.39Å |
| 95 | V | 89.6 | Confident | 86.7 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | Q91 L92 G93 E97 S98 T99 L106 | Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 2.89Å; L92-V95 PolarHBondContact O-N 3.33Å; G93-V95 VanDerWaalsContact C-N 3.35Å; G93-V95 PolarHBondContact O-N 3.39Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.05Å; V95-S98 PolarHBondContact O-N 3.15Å; V95-S98 PolarHBondContact O-OG 2.88Å; V95-T99 PolarHBondContact O-N 3.33Å; V95-T99 VanDerWaalsContact O-N 3.12Å; V95-T99 PolarHBondContact O-OG1 2.93Å; V95-L106 HydrophobicContact CG1-CD1 4.19Å; V95-L106 HydrophobicContact CG1-CD2 3.85Å; V95-L106 HydrophobicContact CG1-CG 4.43Å |
| 96 | L | 89.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.4 | -21.5 | -178.8 | -67.6 | 174.9 | 0 | 0 | 0 | 113.8 | L92 G93 T99 Q100 L190 L192 Q194 L195 | L92-L96 HydrophobicContact CD1-CD1 4.3Å; L92-L96 HydrophobicContact CD1-CG 4.18Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.26Å; L92-L96 PolarHBondContact O-N 3.28Å; G93-L96 PolarHBondContact O-N 3.45Å; L96-T99 VanDerWaalsContact C-OG1 3.28Å; L96-T99 WeakPolarHBondContact CA-OG1 3.45Å; L96-T99 PolarHBondContact O-OG1 3.46Å; L96-Q100 WeakPolarHBondContact O-CG 3.37Å; L96-Q100 PolarHBondContact O-NE2 3.28Å; L96-L190 HydrophobicContact CD1-CB 3.98Å; L96-L190 HydrophobicContact CD1-CD1 4.45Å; L96-L192 HydrophobicContact CD1-CD2 3.99Å; L96-Q194 HydrophobicContact CD2-CB 3.98Å; L96-L195 HydrophobicContact CD2-CD2 4.19Å; L96-L195 HydrophobicContact CD2-CG 4.32Å |
| 97 | E | 87.5 | Confident | 85.3 | Confident | 124 Ų | 124 | 57 Ų | 57 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -77.8 | -40.7 | 170.2 | -76 | 173.8 | -176.8 | 0 | 0 | 111 | G93 S94 V95 T99 Q100 T101 | G93-E97 WeakPolarHBondContact O-CB 3.48Å; G93-E97 WeakPolarHBondContact O-CG 3.29Å; G93-E97 PolarHBondContact O-N 3.49Å; S94-E97 PolarHBondContact O-N 2.84Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.05Å; E97-T99 VanDerWaalsContact C-N 3.26Å; E97-T99 PolarHBondContact O-N 3.3Å; E97-Q100 WeakPolarHBondContact O-CB 3.43Å; E97-Q100 PolarHBondContact O-N 3.47Å; E97-Q100 VanDerWaalsContact O-N 3.08Å; E97-T101 PolarHBondContact O-N 2.87Å; E97-T101 VanDerWaalsContact O-N 3.09Å; E97-T101 PolarHBondContact O-OG1 2.8Å |
| 98 | S | 84.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -30.1 | 176.9 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | S94 V95 T101 Q103 S104 | S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 3.39Å; V95-S98 PolarHBondContact O-N 3.15Å; V95-S98 PolarHBondContact O-OG 2.88Å; S98-T101 PolarHBondContact O-OG1 2.89Å; S98-Q103 PolarHBondContact O-N 3.13Å; S98-S104 PolarHBondContact O-N 3.19Å |
| 99 | T | 77.9 | Confident | 84.1 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72.2 | -30.6 | 172.9 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | V95 L96 E97 G102 S104 L106 Q194 | V95-T99 PolarHBondContact O-N 3.33Å; V95-T99 VanDerWaalsContact O-N 3.12Å; V95-T99 PolarHBondContact O-OG1 2.93Å; L96-T99 VanDerWaalsContact C-OG1 3.28Å; L96-T99 WeakPolarHBondContact CA-OG1 3.45Å; L96-T99 PolarHBondContact O-OG1 3.46Å; E97-T99 VanDerWaalsContact C-N 3.26Å; E97-T99 PolarHBondContact O-N 3.3Å; T99-G102 PolarHBondContact O-N 3.21Å; T99-S104 VanDerWaalsContact CA-O 3.3Å; T99-S104 WeakPolarHBondContact CA-O 3.47Å; T99-L106 HydrophobicContact CG2-CD1 3.78Å; T99-L106 HydrophobicContact CG2-CG 3.64Å; T99-Q194 PolarHBondContact OG1-OE1 3.25Å |
| 100 | Q | 69.1 | Low | 83.6 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -75.6 | -36.9 | 177.2 | -73.1 | 172.9 | 64.1 | 0 | 0 | 113 | L96 E97 G102 K191 | L96-Q100 WeakPolarHBondContact O-CG 3.37Å; L96-Q100 PolarHBondContact O-NE2 3.28Å; E97-Q100 WeakPolarHBondContact O-CB 3.43Å; E97-Q100 PolarHBondContact O-N 3.47Å; E97-Q100 VanDerWaalsContact O-N 3.08Å; Q100-G102 PolarHBondContact O-N 2.85Å; Q100-K191 HydrophobicContact CG-CD 4.41Å |
| 101 | T | 75.9 | Confident | 83.2 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -3.2 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | E97 S98 Q103 | E97-T101 PolarHBondContact O-N 2.87Å; E97-T101 VanDerWaalsContact O-N 3.09Å; E97-T101 PolarHBondContact O-OG1 2.8Å; S98-T101 PolarHBondContact O-OG1 2.89Å; T101-Q103 PolarHBondContact O-N 3.08Å; T101-Q103 VanDerWaalsContact OG1-CD 3.27Å; T101-Q103 VanDerWaalsContact OG1-CG 3.27Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.01Å; T101-Q103 PolarHBondContact OG1-OE1 3.45Å |
| 102 | G | 69.4 | Low | 82.9 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 62% | 0.619 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 10.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T99 Q100 S104 | T99-G102 PolarHBondContact O-N 3.21Å; Q100-G102 PolarHBondContact O-N 2.85Å; G102-S104 VanDerWaalsContact C-N 3.32Å |
| 103 | Q | 70.1 | Confident | 82.8 | Confident | 159 Ų | 159 | 68.6 Ų | 68.6 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -72.8 | -26.8 | 179.2 | -71.3 | 174 | -11.8 | 0 | 0 | 112.4 | S98 T101 | S98-Q103 PolarHBondContact O-N 3.13Å; T101-Q103 PolarHBondContact O-N 3.08Å; T101-Q103 VanDerWaalsContact OG1-CD 3.27Å; T101-Q103 VanDerWaalsContact OG1-CG 3.27Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.01Å; T101-Q103 PolarHBondContact OG1-OE1 3.45Å |
| 104 | S | 71.2 | Confident | 82.9 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | trans | -140.9 | 144.6 | 180 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | S98 T99 G102 | S98-S104 PolarHBondContact O-N 3.19Å; T99-S104 VanDerWaalsContact CA-O 3.3Å; T99-S104 WeakPolarHBondContact CA-O 3.47Å; G102-S104 VanDerWaalsContact C-N 3.32Å | ||
| 105 | V | 75.2 | Confident | 83.1 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 78% | 0.782 | 36% | 0.363 | S | S | * | . | trans | -118.3 | 116.4 | 169.4 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | N107 | V105-N107 PolarHBondContact O-N 3.36Š| ||
| 106 | L | 80.7 | Confident | 83.4 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | trans | -66.8 | 123.2 | 176.7 | -70.4 | 167 | 0 | 0 | 0 | 109.3 | V95 T99 E110 M111 L195 | V95-L106 HydrophobicContact CG1-CD1 4.19Å; V95-L106 HydrophobicContact CG1-CD2 3.85Å; V95-L106 HydrophobicContact CG1-CG 4.43Å; T99-L106 HydrophobicContact CG2-CD1 3.78Å; T99-L106 HydrophobicContact CG2-CG 3.64Å; L106-E110 HydrophobicContact CD2-CB 3.88Å; L106-M111 HydrophobicContact CB-CG 3.61Å; L106-M111 HydrophobicContact CD1-CG 4.41Å; L106-L195 HydrophobicContact CD1-CD2 4.24Å | ||
| 107 | N | 85.4 | Confident | 83.7 | Confident | 67 Ų | 67 | 66 Ų | 66 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | trans | -73.5 | 161.8 | 169.3 | 64.3 | 46 | 0 | 0 | 0 | 110.3 | V105 T109 E110 M111 | V105-N107 PolarHBondContact O-N 3.36Å; N107-T109 PolarHBondContact O-N 3.41Å; N107-T109 VanDerWaalsContact O-N 3.1Å; N107-T109 PolarHBondContact OD1-N 2.69Å; N107-T109 PolarHBondContact OD1-OG1 3.45Å; N107-E110 VanDerWaalsContact CG-CD 3.41Å; N107-E110 PolarHBondContact N-OE2 3.35Å; N107-E110 VanDerWaalsContact N-OE2 3.11Å; N107-E110 PolarHBondContact ND2-OE1 3.29Å; N107-E110 PolarHBondContact ND2-OE2 2.86Å; N107-E110 PolarHBondContact O-N 3.12Å; N107-E110 VanDerWaalsContact O-N 3.07Å; N107-E110 WeakPolarHBondContact OD1-CB 3.35Å; N107-E110 VanDerWaalsContact OD1-CG 3.24Å; N107-E110 WeakPolarHBondContact OD1-CG 3.42Å; N107-E110 PolarHBondContact OD1-N 2.89Å; N107-M111 WeakPolarHBondContact O-CG 3.24Å; N107-M111 PolarHBondContact O-N 2.85Å | ||
| 108 | R | 84 | Confident | 84.2 | Confident | 187 Ų | 187 | 60.1 Ų | 60.1 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.1 | -31.6 | -177.3 | -170 | 170.4 | -176.9 | 168.8 | 2.4 | 113.2 | N112 | R108-N112 WeakPolarHBondContact O-CB 3.38Å; R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 3.24Å; R108-N112 VanDerWaalsContact O-N 3.11Å; R108-N112 PolarHBondContact O-ND2 3.08Å |
| 109 | T | 86.4 | Confident | 84.7 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.4 | -42.8 | 176.4 | 31 | 0 | 0 | 0 | 0 | 112.7 | N107 N112 T113 | N107-T109 PolarHBondContact O-N 3.41Å; N107-T109 VanDerWaalsContact O-N 3.1Å; N107-T109 PolarHBondContact OD1-N 2.69Å; N107-T109 PolarHBondContact OD1-OG1 3.45Å; T109-N112 PolarHBondContact O-N 2.89Å; T109-T113 WeakPolarHBondContact O-CB 3.3Å; T109-T113 PolarHBondContact O-N 3.24Å; T109-T113 PolarHBondContact O-OG1 3.18Å |
| 110 | E | 87.8 | Confident | 85.7 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.3 | -74.2 | 159.6 | -170.1 | 0 | 0 | 111 | L106 N107 N112 T113 H114 | L106-E110 HydrophobicContact CD2-CB 3.88Å; N107-E110 VanDerWaalsContact CG-CD 3.41Å; N107-E110 PolarHBondContact N-OE2 3.35Å; N107-E110 VanDerWaalsContact N-OE2 3.11Å; N107-E110 PolarHBondContact ND2-OE1 3.29Å; N107-E110 PolarHBondContact ND2-OE2 2.86Å; N107-E110 PolarHBondContact O-N 3.12Å; N107-E110 VanDerWaalsContact O-N 3.07Å; N107-E110 WeakPolarHBondContact OD1-CB 3.35Å; N107-E110 VanDerWaalsContact OD1-CG 3.24Å; N107-E110 WeakPolarHBondContact OD1-CG 3.42Å; N107-E110 PolarHBondContact OD1-N 2.89Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 3.07Å; E110-T113 WeakPolarHBondContact O-CB 3.34Å; E110-T113 PolarHBondContact O-N 2.97Å; E110-T113 VanDerWaalsContact O-N 3.14Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 VanDerWaalsContact O-CG 3.3Å; E110-H114 PolarHBondContact O-N 2.95Å |
| 111 | M | 88.7 | Confident | 87.1 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.1 | -50.8 | 173.4 | -68.5 | 176.6 | 60.4 | 0 | 0 | 111 | L106 N107 T113 H114 R115 Q194 | L106-M111 HydrophobicContact CB-CG 3.61Å; L106-M111 HydrophobicContact CD1-CG 4.41Å; N107-M111 WeakPolarHBondContact O-CG 3.24Å; N107-M111 PolarHBondContact O-N 2.85Å; M111-T113 VanDerWaalsContact C-N 3.32Å; M111-T113 PolarHBondContact O-N 3.5Å; M111-H114 PolarHBondContact O-N 3.35Å; M111-R115 WeakPolarHBondContact O-CB 3.04Å; M111-R115 PolarHBondContact O-N 3.25Å; M111-Q194 VanDerWaalsContact CE-O 3.24Å; M111-Q194 WeakPolarHBondContact CE-O 3.26Å |
| 112 | N | 89.6 | Confident | 88.1 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.9 | -77.8 | -26.3 | 0 | 0 | 0 | 112.7 | R108 T109 E110 R115 N116 | R108-N112 WeakPolarHBondContact O-CB 3.38Å; R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 3.24Å; R108-N112 VanDerWaalsContact O-N 3.11Å; R108-N112 PolarHBondContact O-ND2 3.08Å; T109-N112 PolarHBondContact O-N 2.89Å; E110-N112 VanDerWaalsContact C-N 3.34Å; E110-N112 PolarHBondContact O-N 3.07Å; N112-R115 PolarHBondContact OD1-NH2 2.9Å; N112-N116 VanDerWaalsContact O-CB 3.31Å; N112-N116 WeakPolarHBondContact O-CB 3.27Å; N112-N116 VanDerWaalsContact O-CG 3.24Å; N112-N116 PolarHBondContact O-N 3.34Å |
| 113 | T | 92.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 179 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | T50 L53 T109 E110 M111 N116 A117 | T50-T113 HydrophobicContact CG2-CG2 4.37Å; L53-T113 HydrophobicContact CD1-CG2 3.37Å; T109-T113 WeakPolarHBondContact O-CB 3.3Å; T109-T113 PolarHBondContact O-N 3.24Å; T109-T113 PolarHBondContact O-OG1 3.18Å; E110-T113 WeakPolarHBondContact O-CB 3.34Å; E110-T113 PolarHBondContact O-N 2.97Å; E110-T113 VanDerWaalsContact O-N 3.14Å; M111-T113 VanDerWaalsContact C-N 3.32Å; M111-T113 PolarHBondContact O-N 3.5Å; T113-N116 PolarHBondContact O-N 3.27Å; T113-A117 WeakPolarHBondContact O-CB 3.45Å; T113-A117 PolarHBondContact O-N 3.35Å |
| 114 | H | 94.5 | Very high | 90.8 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 178.4 | -64 | 161.8 | 0 | 0 | 0 | 112.2 | F49 L92 E110 M111 A117 L118 L195 | F49-H114 HydrophobicContact CE2-CB 4.46Å; F49-H114 HydrophobicContact CZ-CB 4.31Å; F49-H114 AromaticContact CZ-CD2 3.42Å; F49-H114 VanDerWaalsContact CZ-CD2 3.42Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.26Å; F49-H114 AromaticContact CZ-CG 3.92Å; F49-H114 AromaticContact CZ-NE2 4Å; L92-H114 HydrophobicContact CD1-CB 4.07Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 VanDerWaalsContact O-CG 3.3Å; E110-H114 PolarHBondContact O-N 2.95Å; M111-H114 PolarHBondContact O-N 3.35Å; H114-A117 PolarHBondContact O-N 3.14Å; H114-L118 VanDerWaalsContact O-CB 3.27Å; H114-L118 WeakPolarHBondContact O-CB 3.27Å; H114-L118 PolarHBondContact O-N 3.38Å; H114-L195 HydrophobicContact CB-CD2 3.88Å |
| 115 | R | 94.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 37 Ų | 37 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.5 | -175.9 | 175.8 | 58.7 | 158.4 | 10.2 | 111.8 | E3 M111 N112 L118 K119 L195 W196 | E3-R115 IonicContact OE1-CZ 3.55Å; E3-R115 IonicContact OE1-NH1 3.87Å; E3-R115 IonicContact OE1-NH2 2.79Å; E3-R115 PolarHBondContact OE1-NH2 2.93Å; M111-R115 WeakPolarHBondContact O-CB 3.04Å; M111-R115 PolarHBondContact O-N 3.25Å; N112-R115 PolarHBondContact OD1-NH2 2.9Å; R115-L118 PolarHBondContact O-N 3.45Å; R115-K119 HydrophobicContact CG-CD 4.45Å; R115-K119 WeakPolarHBondContact O-CG 3.46Å; R115-K119 PolarHBondContact O-N 3.44Å; R115-L195 HydrophobicContact CB-CB 4.19Å; R115-L195 WeakPolarHBondContact CD-O 3.37Å; R115-W196 HydrophobicContact CG-CZ2 4.27Å |
| 116 | N | 95.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.027 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 177 | -78.6 | -9.6 | 0 | 0 | 0 | 111.2 | S2 F4 L53 N112 T113 L118 K119 M120 | S2-N116 PolarHBondContact O-ND2 3.18Å; S2-N116 VanDerWaalsContact O-ND2 3.09Å; F4-N116 HydrophobicContact CB-CB 4.26Å; F4-N116 PolarHBondContact N-OD1 3.34Å; L53-N116 HydrophobicContact CD2-CB 3.79Å; N112-N116 VanDerWaalsContact O-CB 3.31Å; N112-N116 WeakPolarHBondContact O-CB 3.27Å; N112-N116 VanDerWaalsContact O-CG 3.24Å; N112-N116 PolarHBondContact O-N 3.34Å; T113-N116 PolarHBondContact O-N 3.27Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.95Å; N116-K119 PolarHBondContact O-N 2.97Å; N116-M120 WeakPolarHBondContact O-CB 3.37Å; N116-M120 VanDerWaalsContact O-CG 3.3Å; N116-M120 WeakPolarHBondContact O-CG 3.39Å; N116-M120 PolarHBondContact O-N 3.41Å |
| 117 | A | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F49 I52 L53 T113 H114 M120 H121 | F49-A117 HydrophobicContact CD2-CB 3.86Å; F49-A117 HydrophobicContact CE2-CB 3.86Å; I52-A117 HydrophobicContact CG2-CB 3.74Å; L53-A117 HydrophobicContact CD1-CB 4.44Å; L53-A117 HydrophobicContact CD2-CB 4.07Å; L53-A117 HydrophobicContact CG-CB 4.18Å; T113-A117 WeakPolarHBondContact O-CB 3.45Å; T113-A117 PolarHBondContact O-N 3.35Å; H114-A117 PolarHBondContact O-N 3.14Å; A117-M120 PolarHBondContact O-N 3.4Å; A117-H121 WeakPolarHBondContact O-CB 3.3Å; A117-H121 PolarHBondContact O-CD2 3.03Å; A117-H121 PolarHBondContact O-N 3.38Å |
| 118 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -53.1 | 174.5 | 172.7 | 63.1 | 0 | 0 | 0 | 111.6 | L92 H114 R115 N116 M120 H121 T122 I187 L192 L195 W196 F205 | L92-L118 HydrophobicContact CD2-CB 4.36Å; L92-L118 HydrophobicContact CD2-CD1 4.23Å; L92-L118 HydrophobicContact CD2-CD2 4.21Å; H114-L118 VanDerWaalsContact O-CB 3.27Å; H114-L118 WeakPolarHBondContact O-CB 3.27Å; H114-L118 PolarHBondContact O-N 3.38Å; R115-L118 PolarHBondContact O-N 3.45Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.95Å; L118-M120 VanDerWaalsContact C-N 3.32Å; L118-M120 PolarHBondContact O-N 3.05Å; L118-H121 PolarHBondContact O-N 3.22Å; L118-T122 PolarHBondContact O-N 2.84Å; L118-T122 PolarHBondContact O-OG1 3.34Å; L118-I187 HydrophobicContact CD1-CD1 4.18Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; L118-L192 HydrophobicContact CD2-CD1 4.12Å; L118-L192 HydrophobicContact CD2-CD2 3.89Å; L118-L195 HydrophobicContact CD2-CD1 3.84Å; L118-W196 HydrophobicContact CD2-CH2 4Å; L118-W196 HydrophobicContact CD2-CZ3 4.37Å; L118-F205 HydrophobicContact CD1-CE2 4.3Å; L118-F205 HydrophobicContact CD1-CZ 4.1Å; L118-F205 HydrophobicContact CD2-CE2 4.19Å; L118-F205 HydrophobicContact CD2-CZ 3.84Å; L118-F205 HydrophobicContact CG-CE2 3.84Å; L118-F205 HydrophobicContact CG-CZ 3.86Å |
| 119 | K | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 179.7 | -69.4 | 178.3 | -177.5 | -168.7 | 0 | 112 | F4 I6 R115 N116 T122 Y123 E202 F205 | F4-K119 HydrophobicContact CD1-CB 3.63Å; F4-K119 HydrophobicContact CD1-CD 4.44Å; F4-K119 HydrophobicContact CE1-CB 4.15Å; F4-K119 WeakPolarHBondContact O-CD 3.32Å; I6-K119 HydrophobicContact CD1-CD 4.43Å; I6-K119 HydrophobicContact CD1-CG 4.34Å; I6-K119 HydrophobicContact CG1-CB 4.43Å; I6-K119 HydrophobicContact CG1-CD 4.37Å; R115-K119 HydrophobicContact CG-CD 4.45Å; R115-K119 WeakPolarHBondContact O-CG 3.46Å; R115-K119 PolarHBondContact O-N 3.44Å; N116-K119 PolarHBondContact O-N 2.97Å; K119-T122 PolarHBondContact O-N 3.39Å; K119-Y123 WeakPolarHBondContact O-CB 3.39Å; K119-Y123 PolarHBondContact O-N 3.08Å; K119-E202 VanDerWaalsContact CE-CD 3.42Å; K119-E202 WeakPolarHBondContact CE-OE1 3.46Å; K119-E202 WeakPolarHBondContact CE-OE2 3.48Å; K119-E202 IonicContact NZ-OE1 3.26Å; K119-E202 PolarHBondContact NZ-OE1 3.49Å; K119-E202 IonicContact NZ-OE2 2.72Å; K119-E202 PolarHBondContact NZ-OE2 3.12Å; K119-F205 HydrophobicContact CG-CD2 4.08Å |
| 120 | M | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.8 | -79.2 | 178.7 | 171.2 | 0 | 0 | 111.7 | F4 Y22 I52 L53 F56 N116 A117 L118 L124 | F4-M120 HydrophobicContact CB-CE 4.09Å; F4-M120 HydrophobicContact CB-CG 4.25Å; F4-M120 HydrophobicContact CD1-CG 3.95Å; F4-M120 HydrophobicContact CD2-CE 3.44Å; F4-M120 VanDerWaalsContact CD2-CE 3.44Å; F4-M120 HydrophobicContact CD2-CG 3.51Å; F4-M120 HydrophobicContact CD2-SD 4.34Å; F4-M120 HydrophobicContact CE1-CG 4.14Å; F4-M120 HydrophobicContact CE2-CE 4.17Å; F4-M120 HydrophobicContact CE2-CG 3.73Å; F4-M120 HydrophobicContact CG-CE 4.01Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.03Å; Y22-M120 HydrophobicContact CD1-CE 3.98Å; Y22-M120 HydrophobicContact CD2-CE 3.47Å; Y22-M120 VanDerWaalsContact CD2-CE 3.47Å; Y22-M120 HydrophobicContact CE1-CE 4.06Å; Y22-M120 HydrophobicContact CE2-CE 3.52Å; Y22-M120 HydrophobicContact CG-CE 3.71Å; I52-M120 HydrophobicContact CG1-CB 3.91Å; I52-M120 HydrophobicContact CG1-SD 4.49Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.31Å; L53-M120 HydrophobicContact CD2-SD 3.95Å; F56-M120 HydrophobicContact CB-CE 4.42Å; F56-M120 HydrophobicContact CB-SD 4.11Å; F56-M120 HydrophobicContact CD2-CB 3.66Å; F56-M120 HydrophobicContact CD2-CG 3.62Å; F56-M120 HydrophobicContact CD2-SD 4.03Å; F56-M120 HydrophobicContact CE2-CB 3.92Å; F56-M120 HydrophobicContact CE2-CG 3.89Å; F56-M120 HydrophobicContact CG-CE 4.43Å; F56-M120 HydrophobicContact CG-CG 4.32Å; F56-M120 HydrophobicContact CG-SD 4.23Å; N116-M120 WeakPolarHBondContact O-CB 3.37Å; N116-M120 VanDerWaalsContact O-CG 3.3Å; N116-M120 WeakPolarHBondContact O-CG 3.39Å; N116-M120 PolarHBondContact O-N 3.41Å; A117-M120 PolarHBondContact O-N 3.4Å; L118-M120 VanDerWaalsContact C-N 3.32Å; L118-M120 PolarHBondContact O-N 3.05Å; M120-L124 WeakPolarHBondContact O-CG 3.44Å; M120-L124 PolarHBondContact O-N 3.38Å |
| 121 | H | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.3 | -86.4 | -47.5 | 0 | 0 | 0 | 112.2 | F49 Y51 I52 Y85 A117 L118 L124 L125 | F49-H121 PolarHBondContact O-NE2 3.33Å; Y51-H121 AromaticContact CE1-CE1 3.44Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.44Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.49Å; Y51-H121 AromaticContact CE1-NE2 3.91Å; Y51-H121 AromaticContact CZ-CE1 3.99Å; I52-H121 WeakPolarHBondContact CB-NE2 3.45Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.45Å; Y85-H121 HydrophobicContact CD2-CB 3.7Å; Y85-H121 HydrophobicContact CE2-CB 3.89Å; A117-H121 WeakPolarHBondContact O-CB 3.3Å; A117-H121 PolarHBondContact O-CD2 3.03Å; A117-H121 PolarHBondContact O-N 3.38Å; L118-H121 PolarHBondContact O-N 3.22Å; H121-L124 PolarHBondContact O-N 3.48Å; H121-L125 WeakPolarHBondContact O-CB 3.39Å; H121-L125 PolarHBondContact O-N 3.13Å |
| 122 | T | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | -177.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | Y85 L118 K119 C126 L184 F205 L208 | Y85-T122 VanDerWaalsContact CE2-CA 3.49Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.21Å; Y85-T122 PolarHBondContact OH-OG1 2.76Å; L118-T122 PolarHBondContact O-N 2.84Å; L118-T122 PolarHBondContact O-OG1 3.34Å; K119-T122 PolarHBondContact O-N 3.39Å; T122-C126 WeakPolarHBondContact O-CB 3.46Å; T122-C126 PolarHBondContact O-N 3.47Å; T122-C126 VanDerWaalsContact O-N 3.07Å; T122-C126 PolarHBondContact O-SG 3.18Å; T122-L184 HydrophobicContact CG2-CD2 4.2Å; T122-F205 HydrophobicContact CG2-CE2 3.96Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.48Å; T122-L208 HydrophobicContact CG2-CB 4.05Å; T122-L208 HydrophobicContact CG2-CD1 4.14Å |
| 123 | Y | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.7 | -52.5 | 174 | 177 | -100.5 | 0 | 0 | 0 | 111.2 | F4 P7 L13 F56 F60 K119 L125 C126 Q127 L208 | F4-Y123 HydrophobicContact CZ-CD1 4.27Å; F4-Y123 HydrophobicContact CZ-CG 4.32Å; P7-Y123 HydrophobicContact CG-CD2 4.1Å; P7-Y123 HydrophobicContact CG-CE1 4.37Å; P7-Y123 HydrophobicContact CG-CE2 3.36Å; L13-Y123 HydrophobicContact CD1-CD1 4.48Å; L13-Y123 HydrophobicContact CD1-CE1 3.78Å; F56-Y123 HydrophobicContact CE2-CD1 4.13Å; F56-Y123 AromaticContact CZ-CD1 3.87Å; F56-Y123 HydrophobicContact CZ-CD1 3.87Å; F56-Y123 HydrophobicContact CZ-CE1 4.14Å; F60-Y123 HydrophobicContact CD2-CE1 4.47Å; K119-Y123 WeakPolarHBondContact O-CB 3.39Å; K119-Y123 PolarHBondContact O-N 3.08Å; Y123-L125 PolarHBondContact O-N 3.35Å; Y123-C126 PolarHBondContact O-N 3.29Å; Y123-Q127 HydrophobicContact CD1-CG 4.27Å; Y123-Q127 HydrophobicContact CD2-CG 4.05Å; Y123-Q127 HydrophobicContact CE1-CG 3.94Å; Y123-Q127 HydrophobicContact CE2-CG 3.67Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 WeakPolarHBondContact O-CB 3.48Å; Y123-Q127 WeakPolarHBondContact O-CG 3.11Å; Y123-Q127 PolarHBondContact O-N 2.9Å; Y123-L208 HydrophobicContact CD2-CD2 4.06Å |
| 124 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | -179.7 | -71.3 | 174.2 | 0 | 0 | 0 | 111.6 | I52 F56 L59 L63 V81 M120 H121 C126 Q127 F128 | I52-L124 HydrophobicContact CD1-CD1 3.63Å; I52-L124 HydrophobicContact CG1-CD1 4.34Å; F56-L124 HydrophobicContact CD2-CD1 3.73Å; F56-L124 HydrophobicContact CD2-CD2 4.44Å; F56-L124 HydrophobicContact CD2-CG 4.07Å; F56-L124 HydrophobicContact CE2-CD1 3.88Å; F56-L124 HydrophobicContact CE2-CD2 3.91Å; F56-L124 HydrophobicContact CE2-CG 3.66Å; F56-L124 HydrophobicContact CZ-CD2 4.22Å; F56-L124 HydrophobicContact CZ-CG 4.43Å; L59-L124 HydrophobicContact CB-CD1 3.85Å; L59-L124 HydrophobicContact CB-CD2 4.33Å; L59-L124 HydrophobicContact CD1-CD1 3.92Å; L63-L124 HydrophobicContact CD1-CD2 3.56Å; V81-L124 HydrophobicContact CG1-CB 4.13Å; V81-L124 HydrophobicContact CG2-CB 4.4Å; M120-L124 WeakPolarHBondContact O-CG 3.44Å; M120-L124 PolarHBondContact O-N 3.38Å; H121-L124 PolarHBondContact O-N 3.48Å; L124-C126 PolarHBondContact O-N 3.24Å; L124-Q127 PolarHBondContact O-N 3.07Å; L124-F128 HydrophobicContact CD2-CE2 4.44Å; L124-F128 WeakPolarHBondContact O-CB 3.37Å; L124-F128 VanDerWaalsContact O-CD2 3.29Å; L124-F128 WeakPolarHBondContact O-CD2 3.49Å; L124-F128 PolarHBondContact O-N 3.28Å |
| 125 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | -178.6 | -175.1 | 64.7 | 0 | 0 | 0 | 111.7 | W78 V81 L82 Y85 H121 Y123 Q127 F128 V129 A180 L184 | W78-L125 HydrophobicContact CH2-CD1 3.91Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; V81-L125 HydrophobicContact CG1-CB 4.05Å; V81-L125 HydrophobicContact CG1-CD1 4Å; L82-L125 HydrophobicContact CB-CD1 4.49Å; L82-L125 HydrophobicContact CD1-CD1 4.13Å; Y85-L125 HydrophobicContact CD1-CD2 3.67Å; Y85-L125 HydrophobicContact CD2-CB 4Å; Y85-L125 HydrophobicContact CD2-CD2 3.78Å; Y85-L125 HydrophobicContact CE1-CD2 3.99Å; Y85-L125 HydrophobicContact CE2-CB 4.39Å; Y85-L125 HydrophobicContact CE2-CD2 4.16Å; Y85-L125 HydrophobicContact CG-CB 4.5Å; Y85-L125 HydrophobicContact CG-CD2 3.53Å; H121-L125 WeakPolarHBondContact O-CB 3.39Å; H121-L125 PolarHBondContact O-N 3.13Å; Y123-L125 PolarHBondContact O-N 3.35Å; L125-Q127 PolarHBondContact O-N 3.02Å; L125-F128 PolarHBondContact O-N 2.98Å; L125-V129 WeakPolarHBondContact O-CG2 3.09Å; L125-V129 PolarHBondContact O-N 3.32Å; L125-A180 HydrophobicContact CD1-CB 4.03Å; L125-A180 HydrophobicContact CD2-CB 4.47Å; L125-A180 HydrophobicContact CG-CB 4.45Å; L125-L184 HydrophobicContact CD2-CD2 3.83Å; L125-L184 HydrophobicContact CD2-CG 3.91Å |
| 126 | C | 98.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.061 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 179 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | T122 Y123 L124 V129 D130 C212 | T122-C126 WeakPolarHBondContact O-CB 3.46Å; T122-C126 PolarHBondContact O-N 3.47Å; T122-C126 VanDerWaalsContact O-N 3.07Å; T122-C126 PolarHBondContact O-SG 3.18Å; Y123-C126 PolarHBondContact O-N 3.29Å; L124-C126 PolarHBondContact O-N 3.24Å; C126-V129 PolarHBondContact O-N 3.03Å; C126-D130 PolarHBondContact O-N 3.44Å; C126-C212 HydrophobicContact CB-CB 4.27Å |
| 127 | Q | 96.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 16 Ų | 16 | 18% | 0.182 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 177.6 | -70.8 | -67.7 | -52 | 0 | 0 | 112.1 | L63 Y123 L124 L125 D130 M131 | L63-Q127 HydrophobicContact CD1-CB 3.71Å; L63-Q127 HydrophobicContact CD2-CB 4.19Å; Y123-Q127 HydrophobicContact CD1-CG 4.27Å; Y123-Q127 HydrophobicContact CD2-CG 4.05Å; Y123-Q127 HydrophobicContact CE1-CG 3.94Å; Y123-Q127 HydrophobicContact CE2-CG 3.67Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 WeakPolarHBondContact O-CB 3.48Å; Y123-Q127 WeakPolarHBondContact O-CG 3.11Å; Y123-Q127 PolarHBondContact O-N 2.9Å; L124-Q127 PolarHBondContact O-N 3.07Å; L125-Q127 PolarHBondContact O-N 3.02Å; Q127-D130 PolarHBondContact O-N 3.36Å; Q127-M131 WeakPolarHBondContact O-CB 3.3Å; Q127-M131 WeakPolarHBondContact O-CG 3.23Å; Q127-M131 PolarHBondContact O-N 3.04Å |
| 128 | F | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.8 | -92.2 | -94.1 | 0 | 0 | 0 | 111.4 | V62 L63 W66 A77 W78 V81 L124 L125 M131 F132 | V62-F128 HydrophobicContact CB-CZ 4.12Å; V62-F128 HydrophobicContact CG1-CE1 4.14Å; V62-F128 HydrophobicContact CG1-CZ 4.03Å; L63-F128 HydrophobicContact CD1-CD2 3.88Å; L63-F128 HydrophobicContact CD1-CE2 3.78Å; L63-F128 HydrophobicContact CD2-CD1 4.32Å; L63-F128 HydrophobicContact CD2-CD2 3.57Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.68Å; L63-F128 HydrophobicContact CD2-CG 3.92Å; L63-F128 HydrophobicContact CD2-CZ 4.12Å; L63-F128 HydrophobicContact CG-CD2 3.78Å; L63-F128 HydrophobicContact CG-CE2 3.44Å; L63-F128 VanDerWaalsContact CG-CE2 3.44Å; L63-F128 HydrophobicContact CG-CZ 4Å; W66-F128 HydrophobicContact CH2-CD1 4.27Å; W66-F128 AromaticContact CZ3-CD1 3.87Å; W66-F128 HydrophobicContact CZ3-CD1 3.87Å; W66-F128 AromaticContact CZ3-CE1 3.85Å; W66-F128 HydrophobicContact CZ3-CE1 3.85Å; A77-F128 HydrophobicContact CB-CE1 3.72Å; A77-F128 HydrophobicContact CB-CZ 3.75Å; W78-F128 HydrophobicContact CE3-CB 3.79Å; W78-F128 HydrophobicContact CE3-CD1 4.45Å; W78-F128 HydrophobicContact CE3-CG 4.45Å; W78-F128 HydrophobicContact CZ3-CB 3.88Å; V81-F128 HydrophobicContact CG1-CD2 4.36Å; V81-F128 HydrophobicContact CG2-CD2 3.88Å; V81-F128 HydrophobicContact CG2-CE2 3.69Å; V81-F128 HydrophobicContact CG2-CG 4.49Å; V81-F128 HydrophobicContact CG2-CZ 4.16Å; L124-F128 HydrophobicContact CD2-CE2 4.44Å; L124-F128 WeakPolarHBondContact O-CB 3.37Å; L124-F128 VanDerWaalsContact O-CD2 3.29Å; L124-F128 WeakPolarHBondContact O-CD2 3.49Å; L124-F128 PolarHBondContact O-N 3.28Å; L125-F128 PolarHBondContact O-N 2.98Å; F128-M131 PolarHBondContact O-N 3.38Å; F128-F132 AromaticContact CD1-CE2 4Å; F128-F132 HydrophobicContact CD1-CE2 4Å; F128-F132 VanDerWaalsContact O-CD2 3.23Å; F128-F132 WeakPolarHBondContact O-CD2 3.48Å; F128-F132 PolarHBondContact O-N 2.87Å |
| 129 | V | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.9 | -52.2 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | W78 L125 C126 M131 F132 E133 W173 A180 L216 | W78-V129 HydrophobicContact CH2-CG2 3.69Å; W78-V129 HydrophobicContact CZ3-CG2 3.85Å; L125-V129 WeakPolarHBondContact O-CG2 3.09Å; L125-V129 PolarHBondContact O-N 3.32Å; C126-V129 PolarHBondContact O-N 3.03Å; V129-M131 VanDerWaalsContact C-N 3.33Å; V129-M131 PolarHBondContact O-N 2.84Å; V129-F132 PolarHBondContact O-N 2.92Å; V129-E133 HydrophobicContact CG1-CG 4.22Å; V129-E133 WeakPolarHBondContact O-CB 3.38Å; V129-E133 VanDerWaalsContact O-CG 3.27Å; V129-E133 WeakPolarHBondContact O-CG 3.3Å; V129-E133 PolarHBondContact O-N 2.69Å; V129-W173 HydrophobicContact CG1-CZ2 4.3Å; V129-W173 HydrophobicContact CG2-CH2 4.35Å; V129-A180 HydrophobicContact CG2-CB 4.08Å; V129-L216 HydrophobicContact CG1-CD1 4.28Å; V129-L216 HydrophobicContact CG1-CD2 3.85Å; V129-L216 HydrophobicContact CG1-CG 4.26Å |
| 130 | D | 94.4 | Very high | 91.6 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 178.7 | -179 | 43.8 | 0 | 0 | 0 | 112.5 | C126 Q127 N134 | C126-D130 PolarHBondContact O-N 3.44Å; Q127-D130 PolarHBondContact O-N 3.36Å; D130-N134 VanDerWaalsContact CG-ND2 3.32Å; D130-N134 WeakPolarHBondContact O-CB 3.47Å; D130-N134 PolarHBondContact O-N 3.46Å; D130-N134 PolarHBondContact O-ND2 3.34Å; D130-N134 PolarHBondContact OD1-ND2 3.34Å |
| 131 | M | 93.5 | Very high | 90 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 179.2 | -67 | -58.7 | 91 | 0 | 0 | 112.9 | K10 L63 W66 Q127 F128 V129 E135 | K10-M131 PolarHBondContact NZ-SD 2.84Å; L63-M131 HydrophobicContact CD2-CB 4.46Å; L63-M131 HydrophobicContact CD2-CG 3.7Å; W66-M131 HydrophobicContact CD2-CB 3.73Å; W66-M131 HydrophobicContact CD2-CG 4.1Å; W66-M131 HydrophobicContact CE3-CB 3.92Å; W66-M131 HydrophobicContact CE3-CG 4.17Å; W66-M131 HydrophobicContact CG-CB 4.44Å; W66-M131 HydrophobicContact CG-SD 4.5Å; W66-M131 HydrophobicContact CH2-CB 3.68Å; W66-M131 HydrophobicContact CZ2-CB 3.5Å; W66-M131 HydrophobicContact CZ3-CB 3.89Å; W66-M131 HydrophobicContact CZ3-CG 4.46Å; Q127-M131 WeakPolarHBondContact O-CB 3.3Å; Q127-M131 WeakPolarHBondContact O-CG 3.23Å; Q127-M131 PolarHBondContact O-N 3.04Å; F128-M131 PolarHBondContact O-N 3.38Å; V129-M131 VanDerWaalsContact C-N 3.33Å; V129-M131 PolarHBondContact O-N 2.84Å; M131-E135 WeakPolarHBondContact O-CB 3.32Å; M131-E135 PolarHBondContact O-N 3.39Å; M131-E135 VanDerWaalsContact O-N 3.08Å |
| 132 | F | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 175.2 | -83.3 | -69.7 | 0 | 0 | 0 | 112 | W66 K74 W78 F128 V129 N134 E135 L136 L169 W173 | W66-F132 HydrophobicContact CH2-CD1 4.21Å; W66-F132 AromaticContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CE1 4.12Å; W66-F132 AromaticContact CH2-CE2 3.74Å; W66-F132 HydrophobicContact CH2-CE2 3.74Å; W66-F132 HydrophobicContact CH2-CG 4.08Å; W66-F132 AromaticContact CH2-CZ 3.89Å; W66-F132 HydrophobicContact CH2-CZ 3.89Å; W66-F132 HydrophobicContact CZ2-CD1 4.18Å; W66-F132 HydrophobicContact CZ2-CD2 4.45Å; W66-F132 HydrophobicContact CZ2-CE1 4.35Å; W66-F132 HydrophobicContact CZ2-CG 4.22Å; K74-F132 HydrophobicContact CB-CE1 4.2Å; K74-F132 HydrophobicContact CB-CZ 3.92Å; W78-F132 HydrophobicContact CB-CE2 3.8Å; W78-F132 HydrophobicContact CB-CZ 4.08Å; W78-F132 HydrophobicContact CD2-CE2 4.2Å; W78-F132 HydrophobicContact CE3-CD2 4.22Å; W78-F132 HydrophobicContact CE3-CE2 4.02Å; W78-F132 HydrophobicContact CG-CE2 4.13Å; F128-F132 AromaticContact CD1-CE2 4Å; F128-F132 HydrophobicContact CD1-CE2 4Å; F128-F132 VanDerWaalsContact O-CD2 3.23Å; F128-F132 WeakPolarHBondContact O-CD2 3.48Å; F128-F132 PolarHBondContact O-N 2.87Å; V129-F132 PolarHBondContact O-N 2.92Å; F132-N134 PolarHBondContact O-N 2.93Å; F132-E135 PolarHBondContact O-N 2.85Å; F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 WeakPolarHBondContact O-CG 3.37Å; F132-L136 PolarHBondContact O-N 2.87Å; F132-L169 HydrophobicContact CD1-CD1 4.14Å; F132-L169 HydrophobicContact CD1-CD2 4.09Å; F132-L169 HydrophobicContact CE1-CD1 4.48Å; F132-L169 HydrophobicContact CE1-CD2 3.7Å; F132-W173 HydrophobicContact CB-CD2 4.25Å; F132-W173 HydrophobicContact CB-CE3 4.06Å; F132-W173 HydrophobicContact CB-CH2 3.42Å; F132-W173 VanDerWaalsContact CB-CH2 3.42Å; F132-W173 HydrophobicContact CB-CZ2 3.59Å; F132-W173 HydrophobicContact CB-CZ3 3.66Å; F132-W173 HydrophobicContact CD1-CZ3 4.4Å; F132-W173 HydrophobicContact CD2-CE3 4.43Å; F132-W173 AromaticContact CD2-CH2 3.79Å; F132-W173 HydrophobicContact CD2-CH2 3.79Å; F132-W173 AromaticContact CD2-CZ3 3.58Å; F132-W173 HydrophobicContact CD2-CZ3 3.58Å; F132-W173 HydrophobicContact CE2-CZ3 4.32Å; F132-W173 HydrophobicContact CG-CE3 4.11Å; F132-W173 AromaticContact CG-CH2 3.86Å; F132-W173 HydrophobicContact CG-CH2 3.86Å; F132-W173 HydrophobicContact CG-CZ2 4.47Å; F132-W173 AromaticContact CG-CZ3 3.64Å; F132-W173 HydrophobicContact CG-CZ3 3.64Å |
| 133 | E | 90.7 | Very high | 86 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 178.1 | -73.6 | -65.9 | 166 | 0 | 0 | 112.1 | V129 E135 L136 N137 W173 L216 I222 | V129-E133 HydrophobicContact CG1-CG 4.22Å; V129-E133 WeakPolarHBondContact O-CB 3.38Å; V129-E133 VanDerWaalsContact O-CG 3.27Å; V129-E133 WeakPolarHBondContact O-CG 3.3Å; V129-E133 PolarHBondContact O-N 2.69Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 3Å; E133-L136 PolarHBondContact O-N 2.99Å; E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.45Å; E133-N137 PolarHBondContact O-N 3.31Å; E133-N137 PolarHBondContact O-ND2 2.81Å; E133-W173 VanDerWaalsContact CD-NE1 3.31Å; E133-W173 HydrophobicContact CG-CZ2 4.06Å; E133-W173 PolarHBondContact OE1-NE1 3.08Å; E133-L216 HydrophobicContact CG-CD2 3.59Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.03Å; E133-I222 WeakPolarHBondContact OE1-CD1 3.31Å |
| 134 | N | 90 | Very high | 83.7 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 178.1 | -71.8 | -41.3 | 0 | 0 | 0 | 112.1 | D130 F132 A138 K215 | D130-N134 VanDerWaalsContact CG-ND2 3.32Å; D130-N134 WeakPolarHBondContact O-CB 3.47Å; D130-N134 PolarHBondContact O-N 3.46Å; D130-N134 PolarHBondContact O-ND2 3.34Å; D130-N134 PolarHBondContact OD1-ND2 3.34Å; F132-N134 PolarHBondContact O-N 2.93Å; N134-A138 VanDerWaalsContact O-CB 3.29Å; N134-A138 WeakPolarHBondContact O-CB 3.47Å; N134-A138 PolarHBondContact O-N 3.08Å; N134-K215 WeakPolarHBondContact OD1-CE 3.08Å |
| 135 | E | 88.7 | Confident | 80.9 | Confident | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 176.6 | -176.8 | 166.7 | -176.1 | 0 | 0 | 112 | W66 K74 M131 F132 E133 N137 A138 N139 | W66-E135 VanDerWaalsContact CE2-OE2 3.23Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.46Å; W66-E135 PolarHBondContact NE1-OE2 3.31Å; K74-E135 IonicContact NZ-OE1 2.64Å; K74-E135 PolarHBondContact NZ-OE1 2.85Å; K74-E135 IonicContact NZ-OE2 2.67Å; K74-E135 PolarHBondContact NZ-OE2 3.14Å; M131-E135 WeakPolarHBondContact O-CB 3.32Å; M131-E135 PolarHBondContact O-N 3.39Å; M131-E135 VanDerWaalsContact O-N 3.08Å; F132-E135 PolarHBondContact O-N 2.85Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 3Å; E135-N137 PolarHBondContact O-N 3.48Å; E135-A138 PolarHBondContact O-N 2.75Å; E135-N139 WeakPolarHBondContact O-CB 3.27Å; E135-N139 PolarHBondContact O-N 3.27Å; E135-N139 PolarHBondContact O-ND2 2.9Å |
| 136 | L | 86 | Confident | 77.9 | Confident | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.6 | -72.4 | 172.1 | 0 | 0 | 0 | 111.7 | F132 E133 N139 A140 L169 W173 | F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 WeakPolarHBondContact O-CG 3.37Å; F132-L136 PolarHBondContact O-N 2.87Å; E133-L136 PolarHBondContact O-N 2.99Å; L136-N139 PolarHBondContact O-N 3.22Å; L136-A140 WeakPolarHBondContact O-CB 3.41Å; L136-A140 PolarHBondContact O-N 3.09Å; L136-L169 HydrophobicContact CD1-CD1 4.05Å; L136-L169 HydrophobicContact CD2-CD1 3.83Å; L136-L169 HydrophobicContact CG-CD1 4.21Å; L136-W173 HydrophobicContact CD1-CB 3.97Å; L136-W173 HydrophobicContact CD1-CD2 4.06Å; L136-W173 HydrophobicContact CD1-CG 3.45Å; L136-W173 VanDerWaalsContact CD1-CG 3.45Å |
| 137 | N | 83.6 | Confident | 74.9 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.6 | -89.3 | -65 | 0 | 0 | 0 | 113 | E133 E135 K141 D219 | E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.45Å; E133-N137 PolarHBondContact O-N 3.31Å; E133-N137 PolarHBondContact O-ND2 2.81Å; E135-N137 PolarHBondContact O-N 3.48Å; N137-K141 WeakPolarHBondContact O-CG 3.32Å; N137-K141 PolarHBondContact O-N 3.37Å; N137-D219 PolarHBondContact ND2-OD2 3.42Å; N137-D219 PolarHBondContact OD1-OD2 3.09Å |
| 138 | A | 82.2 | Confident | 71.7 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N134 E135 S142 | N134-A138 VanDerWaalsContact O-CB 3.29Å; N134-A138 WeakPolarHBondContact O-CB 3.47Å; N134-A138 PolarHBondContact O-N 3.08Å; E135-A138 PolarHBondContact O-N 2.75Å; A138-S142 WeakPolarHBondContact O-CB 3.45Å; A138-S142 PolarHBondContact O-N 2.83Å; A138-S142 PolarHBondContact O-OG 3.05Å |
| 139 | N | 73.4 | Confident | 68.5 | Low | 63 Ų | 63 | 61.2 Ų | 61.2 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 176.8 | -70.1 | -14.9 | 0 | 0 | 0 | 111.6 | E135 L136 S142 A143 | E135-N139 WeakPolarHBondContact O-CB 3.27Å; E135-N139 PolarHBondContact O-N 3.27Å; E135-N139 PolarHBondContact O-ND2 2.9Å; L136-N139 PolarHBondContact O-N 3.22Å; N139-S142 PolarHBondContact O-N 2.79Å; N139-A143 WeakPolarHBondContact O-CB 3.39Å; N139-A143 PolarHBondContact O-N 3.36Å |
| 140 | A | 69.9 | Low | 65.2 | Low | 54 Ų | 54 | 73 Ų | 73 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L136 S142 A143 V144 | L136-A140 WeakPolarHBondContact O-CB 3.41Å; L136-A140 PolarHBondContact O-N 3.09Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.9Å; A140-A143 PolarHBondContact O-N 2.91Å; A140-V144 WeakPolarHBondContact O-CG2 3.49Å; A140-V144 PolarHBondContact O-N 3.43Å; A140-V144 VanDerWaalsContact O-N 3.1Å |
| 141 | K | 64.3 | Low | 62 | Low | 163 Ų | 163 | 74.7 Ų | 74.7 | 71% | 0.709 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 175.3 | -74 | 176.1 | -176.5 | 174 | 0 | 112.3 | N137 V144 G145 | N137-K141 WeakPolarHBondContact O-CG 3.32Å; N137-K141 PolarHBondContact O-N 3.37Å; K141-V144 PolarHBondContact O-N 2.76Å; K141-G145 PolarHBondContact O-N 3.49Å |
| 142 | S | 58.7 | Low | 58.7 | Low | 88 Ų | 88 | 85.7 Ų | 85.7 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112.2 | A138 N139 A140 | A138-S142 WeakPolarHBondContact O-CB 3.45Å; A138-S142 PolarHBondContact O-N 2.83Å; A138-S142 PolarHBondContact O-OG 3.05Å; N139-S142 PolarHBondContact O-N 2.79Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.9Å |
| 143 | A | 53.5 | Low | 55.5 | Low | 77 Ų | 77 | 89 Ų | 89 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N139 A140 | N139-A143 WeakPolarHBondContact O-CB 3.39Å; N139-A143 PolarHBondContact O-N 3.36Å; A140-A143 PolarHBondContact O-N 2.91Å |
| 144 | V | 49.7 | Very low | 52.5 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -81.2 | -34.9 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | A140 K141 G146 | A140-V144 WeakPolarHBondContact O-CG2 3.49Å; A140-V144 PolarHBondContact O-N 3.43Å; A140-V144 VanDerWaalsContact O-N 3.1Å; K141-V144 PolarHBondContact O-N 2.76Å; V144-G146 PolarHBondContact O-N 3.49Å; V144-G146 VanDerWaalsContact O-N 3.17Å |
| 145 | G | 38.7 | Very low | 49.4 | Very low | 55 Ų | 55 | 100.1 Ų | 100.1 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -17.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K141 N147 | K141-G145 PolarHBondContact O-N 3.49Å; G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 2.85Å |
| 146 | G | 35.7 | Very low | 46.3 | Very low | 61 Ų | 61 | 102.9 Ų | 102.9 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -10.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V144 | V144-G146 PolarHBondContact O-N 3.49Å; V144-G146 VanDerWaalsContact O-N 3.17Å |
| 147 | N | 34.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 103.5 Ų | 103.5 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 15.2 | -170.8 | -102.8 | 64.5 | 0 | 0 | 0 | 115.6 | G145 G149 | G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 2.85Å; N147-G149 PolarHBondContact O-N 3.31Å |
| 148 | A | 31.4 | Very low | 40.5 | Very low | 102 Ų | 102 | 113.3 Ų | 113.3 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -81 | 56.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 149 | G | 29.1 | Very low | 37.9 | Very low | 61 Ų | 61 | 123.2 Ų | 123.2 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -151.9 | 58.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N147 | N147-G149 PolarHBondContact O-N 3.31Š|
| 150 | R | 28.9 | Very low | 35.6 | Very low | 251 Ų | 251 | 123 Ų | 123 | 95% | 0.947 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 173.1 | 118.4 | 152.6 | -98.1 | 156.8 | 177.5 | -170.7 | -1.4 | 112.1 | ||
| 151 | G | 27.1 | Very low | 33.5 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 69 | 107 | 133.3 | 0 | 0 | 0 | 0 | 0 | 119 | G153 | G151-G153 PolarHBondContact O-N 3.35Š| ||
| 152 | R | 24.5 | Very low | 31.6 | Very low | 263 Ų | 263 | 130.4 Ų | 130.4 | 99% | 0.992 | 77% | 0.773 | S | S | * | * | trans | -48.4 | 122.9 | 153.8 | -74.1 | 170 | 155.4 | 175.7 | -7.5 | 110.2 | ||||
| 153 | G | 25.7 | Very low | 30.2 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 170 | 105.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G151 | G151-G153 PolarHBondContact O-N 3.35Š| ||
| 154 | A | 27.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | 55.1 | 117.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 155 | K | 25 | Very low | 28.4 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 58.4 | 104.9 | 132.2 | -64.3 | -177 | 177.8 | 178.7 | 0 | 118.7 | G157 | K155-G157 PolarHBondContact O-N 2.79Š| ||
| 156 | G | 24.1 | Very low | 28.3 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 96% | 0.959 | 79% | 0.788 | S | S | * | * | 56.4 | 54.9 | 119.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 157 | G | 24 | Very low | 28.9 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -116.9 | 113.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | K155 R159 | K155-G157 PolarHBondContact O-N 2.79Å; G157-R159 PolarHBondContact O-N 3.3Å | ||
| 158 | R | 23.9 | Very low | 30 | Very low | 252 Ų | 252 | 138.2 Ų | 138.2 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | trans | -19.2 | 111.2 | 170 | -65.4 | 171.1 | 178.4 | -179.3 | -1.9 | 113.9 | G160 | R158-G160 VanDerWaalsContact C-N 3.34Å; R158-G160 PolarHBondContact O-N 2.93Å | ||
| 159 | R | 26.4 | Very low | 31.7 | Very low | 255 Ų | 255 | 134.6 Ų | 134.6 | 96% | 0.962 | 75% | 0.753 | S | S | * | * | trans | -70.1 | 94.9 | 164.9 | -81.4 | -175.5 | 171.3 | -176.8 | -2.6 | 108.3 | G157 | G157-R159 PolarHBondContact O-N 3.3Š| ||
| 160 | G | 24.6 | Very low | 34 | Very low | 59 Ų | 59 | 137.3 Ų | 137.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | -67.3 | 122.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R158 R162 | R158-G160 VanDerWaalsContact C-N 3.34Å; R158-G160 PolarHBondContact O-N 2.93Å; G160-R162 VanDerWaalsContact C-N 3.33Å; G160-R162 PolarHBondContact O-N 2.98Å | ||
| 161 | D | 27.3 | Very low | 36.6 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | 29.8 | 55.3 | 134 | -147.7 | 21.6 | 0 | 0 | 0 | 117.5 | ||||
| 162 | R | 24.8 | Very low | 39.5 | Very low | 207 Ų | 207 | 127.2 Ų | 127.2 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | trans | -85.7 | 115.7 | 158.2 | -74.7 | -172.9 | 177.9 | -174.7 | -2.1 | 106.6 | G160 | G160-R162 VanDerWaalsContact C-N 3.33Å; G160-R162 PolarHBondContact O-N 2.98Å | ||
| 163 | G | 27.3 | Very low | 42.7 | Very low | 53 Ų | 53 | 115.3 Ų | 115.3 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | trans | -49.8 | 154 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S165 | G163-S165 PolarHBondContact O-N 3.3Š| ||
| 164 | P | 31.8 | Very low | 45.9 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 69% | 0.688 | 64% | 0.643 | S | S | * | * | trans | -60.7 | 111.3 | -179 | 26.1 | -31.8 | 0 | 0 | 0 | 108.2 | D166 | P164-D166 PolarHBondContact O-N 2.93Š| ||
| 165 | S | 34.8 | Very low | 49 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 74% | 0.741 | 62% | 0.622 | S | S | * | * | trans | -65.9 | 89.9 | 167.8 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | G163 L167 | G163-S165 PolarHBondContact O-N 3.3Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.49Å | ||
| 166 | D | 36.5 | Very low | 52.4 | Low | 158 Ų | 158 | 105 Ų | 105 | 85% | 0.845 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 37.7 | 3.5 | 146.5 | -84.7 | -16.7 | 0 | 0 | 0 | 123.4 | P164 | P164-D166 PolarHBondContact O-N 2.93Š|
| 167 | L | 48.4 | Very low | 55.8 | Low | 86 Ų | 86 | 100.6 Ų | 100.6 | 45% | 0.45 | 54% | 0.539 | S | S | . | . | trans | -145.1 | 52.9 | 175.3 | -118.9 | 100.9 | 0 | 0 | 0 | 111.9 | S165 L169 | S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.49Å; L167-L169 PolarHBondContact O-N 3.39Å | ||
| 168 | Q | 56.8 | Low | 59.3 | Low | 171 Ų | 171 | 100.5 Ų | 100.5 | 80% | 0.799 | 52% | 0.521 | S | S | * | . | trans | -77.3 | 115.1 | 165.7 | -162.8 | 158.9 | 5.1 | 0 | 0 | 107.7 | C170 | Q168-C170 PolarHBondContact O-N 3.48Š| ||
| 169 | L | 67.9 | Low | 62.8 | Low | 26 Ų | 26 | 92.9 Ų | 92.9 | 14% | 0.136 | 49% | 0.494 | C | S | . | . | trans | -50.2 | 134.9 | 166.8 | -69.6 | 168.4 | 0 | 0 | 0 | 108.1 | E75 F132 L136 L167 M171 W173 | E75-L169 HydrophobicContact CG-CD2 4.19Å; E75-L169 VanDerWaalsContact OE1-CA 3.27Å; E75-L169 WeakPolarHBondContact OE1-CA 3.28Å; F132-L169 HydrophobicContact CD1-CD1 4.14Å; F132-L169 HydrophobicContact CD1-CD2 4.09Å; F132-L169 HydrophobicContact CE1-CD1 4.48Å; F132-L169 HydrophobicContact CE1-CD2 3.7Å; L136-L169 HydrophobicContact CD1-CD1 4.05Å; L136-L169 HydrophobicContact CD2-CD1 3.83Å; L136-L169 HydrophobicContact CG-CD1 4.21Å; L167-L169 PolarHBondContact O-N 3.39Å; L169-M171 HydrophobicContact CB-CG 4.11Å; L169-M171 PolarHBondContact O-N 3.27Å; L169-W173 HydrophobicContact CD1-CB 4.23Å | ||
| 170 | C | 76.7 | Confident | 66.2 | Low | 117 Ų | 117 | 80.8 Ų | 80.8 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -67.6 | -20.5 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 111 | E75 Q168 | E75-C170 PolarHBondContact OE1-N 3.42Å; E75-C170 VanDerWaalsContact OE2-CB 3.28Å; E75-C170 WeakPolarHBondContact OE2-CB 3.48Å; Q168-C170 PolarHBondContact O-N 3.48Å |
| 171 | M | 82.8 | Confident | 69.7 | Low | 21 Ų | 21 | 78 Ų | 78 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -94 | 146.3 | 177.2 | 62.4 | 179.6 | 57.9 | 0 | 0 | 112.9 | E75 W78 H79 L169 W173 E176 | E75-M171 HydrophobicContact CB-CE 3.52Å; E75-M171 HydrophobicContact CG-CE 3.51Å; E75-M171 HydrophobicContact CG-CG 4.47Å; E75-M171 HydrophobicContact CG-SD 4.32Å; W78-M171 HydrophobicContact CB-CE 4.32Å; W78-M171 VanDerWaalsContact CD1-CE 3.49Å; W78-M171 HydrophobicContact CG-CE 4.16Å; W78-M171 HydrophobicContact CG-SD 4.25Å; H79-M171 WeakPolarHBondContact NE2-CE 3.27Å; L169-M171 HydrophobicContact CB-CG 4.11Å; L169-M171 PolarHBondContact O-N 3.27Å; M171-W173 PolarHBondContact O-N 3.47Å; M171-W173 VanDerWaalsContact O-N 3.12Å; M171-W173 HydrophobicContact SD-CE3 4.44Å; M171-E176 HydrophobicContact CB-CG 4.16Å; M171-E176 HydrophobicContact CG-CG 4.46Å; M171-E176 HydrophobicContact SD-CG 4.1Å |
| 172 | D | 88.3 | Confident | 73.1 | Confident | 95 Ų | 95 | 71 Ų | 71 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | trans | -74.6 | 98.9 | 166.5 | -174.4 | -17.7 | 0 | 0 | 0 | 109.3 | F174 V175 E176 | D172-F174 PolarHBondContact O-N 3.46Å; D172-F174 PolarHBondContact OD1-N 3.42Å; D172-F174 VanDerWaalsContact OD1-N 3.1Å; D172-V175 HydrophobicContact CB-CB 4.25Å; D172-V175 HydrophobicContact CB-CG2 4.2Å; D172-V175 PolarHBondContact O-N 3.06Å; D172-V175 WeakPolarHBondContact OD2-CG2 3.4Å; D172-E176 WeakPolarHBondContact O-CG 3.27Å; D172-E176 PolarHBondContact O-N 2.93Å | ||
| 173 | W | 92.6 | Very high | 76.6 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -34.6 | -176.6 | 179.4 | -112 | 0 | 0 | 0 | 113.2 | W78 V129 F132 E133 L136 L169 M171 V175 E176 C177 | W78-W173 HydrophobicContact CD2-CZ3 4.36Å; W78-W173 HydrophobicContact CE3-CZ3 4.47Å; W78-W173 AromaticContact CH2-CH2 3.97Å; W78-W173 HydrophobicContact CH2-CH2 3.97Å; W78-W173 HydrophobicContact CH2-CZ3 4.08Å; W78-W173 HydrophobicContact CZ2-CH2 4.34Å; W78-W173 HydrophobicContact CZ2-CZ3 4.02Å; W78-W173 HydrophobicContact CZ3-CH2 4.19Å; W78-W173 HydrophobicContact CZ3-CZ3 4.34Å; V129-W173 HydrophobicContact CG1-CZ2 4.3Å; V129-W173 HydrophobicContact CG2-CH2 4.35Å; F132-W173 HydrophobicContact CB-CD2 4.25Å; F132-W173 HydrophobicContact CB-CE3 4.06Å; F132-W173 HydrophobicContact CB-CH2 3.42Å; F132-W173 VanDerWaalsContact CB-CH2 3.42Å; F132-W173 HydrophobicContact CB-CZ2 3.59Å; F132-W173 HydrophobicContact CB-CZ3 3.66Å; F132-W173 HydrophobicContact CD1-CZ3 4.4Å; F132-W173 HydrophobicContact CD2-CE3 4.43Å; F132-W173 AromaticContact CD2-CH2 3.79Å; F132-W173 HydrophobicContact CD2-CH2 3.79Å; F132-W173 AromaticContact CD2-CZ3 3.58Å; F132-W173 HydrophobicContact CD2-CZ3 3.58Å; F132-W173 HydrophobicContact CE2-CZ3 4.32Å; F132-W173 HydrophobicContact CG-CE3 4.11Å; F132-W173 AromaticContact CG-CH2 3.86Å; F132-W173 HydrophobicContact CG-CH2 3.86Å; F132-W173 HydrophobicContact CG-CZ2 4.47Å; F132-W173 AromaticContact CG-CZ3 3.64Å; F132-W173 HydrophobicContact CG-CZ3 3.64Å; E133-W173 VanDerWaalsContact CD-NE1 3.31Å; E133-W173 HydrophobicContact CG-CZ2 4.06Å; E133-W173 PolarHBondContact OE1-NE1 3.08Å; L136-W173 HydrophobicContact CD1-CB 3.97Å; L136-W173 HydrophobicContact CD1-CD2 4.06Å; L136-W173 HydrophobicContact CD1-CG 3.45Å; L136-W173 VanDerWaalsContact CD1-CG 3.45Å; L169-W173 HydrophobicContact CD1-CB 4.23Å; M171-W173 PolarHBondContact O-N 3.47Å; M171-W173 VanDerWaalsContact O-N 3.12Å; M171-W173 HydrophobicContact SD-CE3 4.44Å; W173-V175 VanDerWaalsContact C-N 3.34Å; W173-V175 PolarHBondContact O-N 2.97Å; W173-E176 HydrophobicContact CE3-CB 4.4Å; W173-E176 PolarHBondContact O-N 3.47Å; W173-C177 HydrophobicContact CZ2-CB 4.17Å; W173-C177 WeakPolarHBondContact O-CB 3.34Å; W173-C177 PolarHBondContact O-N 2.85Å |
| 174 | F | 91.8 | Very high | 80 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | -179.8 | -72 | -87.2 | 0 | 0 | 0 | 111.5 | D172 E178 D221 I222 N225 I228 | D172-F174 PolarHBondContact O-N 3.46Å; D172-F174 PolarHBondContact OD1-N 3.42Å; D172-F174 VanDerWaalsContact OD1-N 3.1Å; F174-E178 WeakPolarHBondContact O-CB 3.44Å; F174-E178 PolarHBondContact O-N 2.9Å; F174-D221 HydrophobicContact CZ-CB 4.45Å; F174-I222 HydrophobicContact CD1-CD1 3.96Å; F174-I222 HydrophobicContact CE1-CD1 3.69Å; F174-I222 HydrophobicContact CZ-CD1 4.38Å; F174-N225 HydrophobicContact CD1-CB 4Å; F174-N225 VanDerWaalsContact CD1-ND2 3.27Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.47Å; F174-N225 HydrophobicContact CE1-CB 4.26Å; F174-I228 HydrophobicContact CB-CD1 4.1Å; F174-I228 HydrophobicContact CD1-CD1 3.61Å; F174-I228 HydrophobicContact CG-CD1 4.3Å |
| 175 | V | 94.3 | Very high | 83.1 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111 | D172 W173 E178 K179 | D172-V175 HydrophobicContact CB-CB 4.25Å; D172-V175 HydrophobicContact CB-CG2 4.2Å; D172-V175 PolarHBondContact O-N 3.06Å; D172-V175 WeakPolarHBondContact OD2-CG2 3.4Å; W173-V175 VanDerWaalsContact C-N 3.34Å; W173-V175 PolarHBondContact O-N 2.97Å; V175-E178 PolarHBondContact O-N 2.95Å; V175-K179 HydrophobicContact CG1-CD 4.5Å; V175-K179 WeakPolarHBondContact O-CG 3.41Å; V175-K179 PolarHBondContact O-N 3.37Å |
| 176 | E | 95.1 | Very high | 86.1 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 178.1 | -66.5 | -59.2 | 120.7 | 0 | 0 | 112 | W78 L82 M171 D172 W173 K179 A180 | W78-E176 HydrophobicContact CZ2-CB 4.03Å; W78-E176 PolarHBondContact NE1-OE2 2.67Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.43Å; M171-E176 HydrophobicContact CB-CG 4.16Å; M171-E176 HydrophobicContact CG-CG 4.46Å; M171-E176 HydrophobicContact SD-CG 4.1Å; D172-E176 WeakPolarHBondContact O-CG 3.27Å; D172-E176 PolarHBondContact O-N 2.93Å; W173-E176 HydrophobicContact CE3-CB 4.4Å; W173-E176 PolarHBondContact O-N 3.47Å; E176-K179 PolarHBondContact O-N 3.48Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 3.2Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 3.1Å |
| 177 | C | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | W173 K179 A180 V181 L216 I228 | W173-C177 HydrophobicContact CZ2-CB 4.17Å; W173-C177 WeakPolarHBondContact O-CB 3.34Å; W173-C177 PolarHBondContact O-N 2.85Å; C177-K179 VanDerWaalsContact C-N 3.34Å; C177-K179 PolarHBondContact O-N 3.3Å; C177-A180 PolarHBondContact O-N 3.1Å; C177-V181 WeakPolarHBondContact O-CG2 3.26Å; C177-V181 PolarHBondContact O-N 3.06Å; C177-L216 VanDerWaalsContact SG-CD2 3.59Å; C177-I228 HydrophobicContact CB-CD1 4.11Å |
| 178 | E | 97 | Very high | 91.3 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 172.6 | -177 | -167.5 | 159.7 | 0 | 0 | 111.5 | F174 V175 A180 V181 G182 N227 I228 | F174-E178 WeakPolarHBondContact O-CB 3.44Å; F174-E178 PolarHBondContact O-N 2.9Å; V175-E178 PolarHBondContact O-N 2.95Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 2.96Å; E178-V181 PolarHBondContact O-N 3.46Å; E178-G182 PolarHBondContact O-N 2.95Å; E178-N227 HydrophobicContact CG-CB 4.11Å; E178-N227 WeakPolarHBondContact OE2-CB 3.33Å; E178-N227 PolarHBondContact OE2-ND2 2.97Å; E178-N227 VanDerWaalsContact OE2-ND2 3.13Å; E178-I228 HydrophobicContact CB-CG1 4.18Å |
| 179 | K | 97.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 40 Ų | 40 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.9 | -71.3 | 171 | -170.2 | 165.5 | 0 | 111.9 | L82 V175 E176 C177 G182 A183 | L82-K179 HydrophobicContact CD2-CB 4.16Å; L82-K179 HydrophobicContact CD2-CD 4.46Å; V175-K179 HydrophobicContact CG1-CD 4.5Å; V175-K179 WeakPolarHBondContact O-CG 3.41Å; V175-K179 PolarHBondContact O-N 3.37Å; E176-K179 PolarHBondContact O-N 3.48Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 3.2Å; C177-K179 VanDerWaalsContact C-N 3.34Å; C177-K179 PolarHBondContact O-N 3.3Å; K179-G182 PolarHBondContact O-N 2.95Å; K179-A183 WeakPolarHBondContact O-CB 3.15Å; K179-A183 PolarHBondContact O-N 3.15Å |
| 180 | A | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | W78 L82 L125 V129 E176 C177 E178 G182 A183 L184 | W78-A180 HydrophobicContact CH2-CB 3.51Å; W78-A180 HydrophobicContact CZ2-CB 3.91Å; L82-A180 HydrophobicContact CD1-CB 4.15Å; L125-A180 HydrophobicContact CD1-CB 4.03Å; L125-A180 HydrophobicContact CD2-CB 4.47Å; L125-A180 HydrophobicContact CG-CB 4.45Å; V129-A180 HydrophobicContact CG2-CB 4.08Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 3.1Å; C177-A180 PolarHBondContact O-N 3.1Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 2.96Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 3.2Å; A180-A183 PolarHBondContact O-N 3.41Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 2.85Å |
| 181 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 176 | 179 | 0 | 0 | 0 | 0 | 110.8 | C177 E178 A183 L184 D185 L216 A231 V232 L235 | C177-V181 WeakPolarHBondContact O-CG2 3.26Å; C177-V181 PolarHBondContact O-N 3.06Å; E178-V181 PolarHBondContact O-N 3.46Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.61Å; V181-L184 WeakPolarHBondContact O-CB 3.41Å; V181-L184 PolarHBondContact O-N 2.99Å; V181-D185 PolarHBondContact O-N 2.8Å; V181-L216 HydrophobicContact CG2-CD1 3.6Å; V181-A231 HydrophobicContact CB-CB 4.03Å; V181-A231 VanDerWaalsContact CG1-C 3.48Å; V181-A231 HydrophobicContact CG1-CB 3.7Å; V181-V232 HydrophobicContact CG1-CG2 4.03Å; V181-V232 HydrophobicContact CG2-CG2 4.4Å; V181-L235 HydrophobicContact CG1-CB 4.27Å; V181-L235 HydrophobicContact CG1-CD2 3.98Å |
| 182 | G | 98 | Very high | 95.5 | Very high | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | E178 K179 A180 D185 Q186 | E178-G182 PolarHBondContact O-N 2.95Å; K179-G182 PolarHBondContact O-N 2.95Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 3.2Å; G182-D185 PolarHBondContact O-N 3.31Å; G182-Q186 VanDerWaalsContact O-CG 3.28Å; G182-Q186 WeakPolarHBondContact O-CG 3.37Å; G182-Q186 PolarHBondContact O-N 2.86Å |
| 183 | A | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y85 K179 A180 V181 Q186 I187 | Y85-A183 HydrophobicContact CD1-CB 3.81Å; Y85-A183 HydrophobicContact CE1-CB 4.35Å; Y85-A183 WeakPolarHBondContact CE1-O 3.21Å; K179-A183 WeakPolarHBondContact O-CB 3.15Å; K179-A183 PolarHBondContact O-N 3.15Å; A180-A183 PolarHBondContact O-N 3.41Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.61Å; A183-Q186 PolarHBondContact O-N 3.37Å; A183-I187 PolarHBondContact O-N 2.75Å |
| 184 | L | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 170.6 | -70.5 | 175.2 | 0 | 0 | 0 | 111.4 | Y85 T122 L125 A180 V181 I187 C188 P209 C212 L235 | Y85-L184 HydrophobicContact CE1-CD2 4.03Å; Y85-L184 HydrophobicContact CE2-CD2 4.41Å; Y85-L184 VanDerWaalsContact OH-CD2 3.3Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.33Å; T122-L184 HydrophobicContact CG2-CD2 4.2Å; L125-L184 HydrophobicContact CD2-CD2 3.83Å; L125-L184 HydrophobicContact CD2-CG 3.91Å; A180-L184 WeakPolarHBondContact O-CG 3.47Å; A180-L184 PolarHBondContact O-N 2.85Å; V181-L184 WeakPolarHBondContact O-CB 3.41Å; V181-L184 PolarHBondContact O-N 2.99Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.26Å; L184-I187 PolarHBondContact O-N 3.39Å; L184-C188 WeakPolarHBondContact O-CB 3.32Å; L184-C188 PolarHBondContact O-N 3.38Å; L184-C188 VanDerWaalsContact O-N 3.1Å; L184-C188 PolarHBondContact O-SG 3Å; L184-P209 HydrophobicContact CD1-CB 4.3Å; L184-P209 HydrophobicContact CD2-CB 4.35Å; L184-C212 HydrophobicContact CD1-CB 4.47Å; L184-L235 HydrophobicContact CB-CD1 4.38Å; L184-L235 HydrophobicContact CB-CD2 3.63Å; L184-L235 HydrophobicContact CD1-CD2 4.1Å |
| 185 | D | 98.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 175.7 | -179.5 | 42.1 | 0 | 0 | 0 | 111.7 | V181 G182 I187 C188 R189 L235 T238 | V181-D185 PolarHBondContact O-N 2.8Å; G182-D185 PolarHBondContact O-N 3.31Å; D185-I187 PolarHBondContact O-N 2.93Å; D185-C188 PolarHBondContact O-N 2.83Å; D185-R189 WeakPolarHBondContact O-CG 3.4Å; D185-R189 PolarHBondContact O-N 3.48Å; D185-R189 IonicContact OD1-CZ 3.61Å; D185-R189 IonicContact OD1-NE 2.71Å; D185-R189 PolarHBondContact OD1-NE 2.96Å; D185-R189 VanDerWaalsContact OD1-NE 3.16Å; D185-R189 IonicContact OD1-NH2 2.88Å; D185-R189 PolarHBondContact OD1-NH2 3.47Å; D185-R189 IonicContact OD2-CZ 2.83Å; D185-R189 IonicContact OD2-NE 2.71Å; D185-R189 PolarHBondContact OD2-NE 2.96Å; D185-R189 IonicContact OD2-NH1 2.76Å; D185-R189 PolarHBondContact OD2-NH1 3.37Å; D185-R189 IonicContact OD2-NH2 3.75Å; D185-R189 PolarHBondContact OD2-NH2 3.21Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.25Å; D185-T238 WeakPolarHBondContact OD1-CB 3.48Å; D185-T238 PolarHBondContact OD1-OG1 3.49Å |
| 186 | Q | 97.8 | Very high | 95 | Very high | 107 Ų | 107 | 32.6 Ų | 32.6 | 50% | 0.5 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60 | -42.7 | 178.1 | -71.9 | 172.3 | 13.8 | 0 | 0 | 112.8 | V89 G182 A183 R189 | V89-Q186 HydrophobicContact CG1-CB 3.77Å; V89-Q186 HydrophobicContact CG2-CB 4.39Å; G182-Q186 VanDerWaalsContact O-CG 3.28Å; G182-Q186 WeakPolarHBondContact O-CG 3.37Å; G182-Q186 PolarHBondContact O-N 2.86Å; A183-Q186 PolarHBondContact O-N 3.37Å; Q186-R189 PolarHBondContact O-N 3.34Å |
| 187 | I | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.6 | -152.5 | 73 | 0 | 0 | 0 | 111 | Y85 V89 L92 L118 A183 L184 D185 R189 L190 L192 | Y85-I187 HydrophobicContact CE1-CB 3.97Å; Y85-I187 HydrophobicContact CE1-CG2 3.91Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.39Å; V89-I187 VanDerWaalsContact CA-CD1 3.47Å; V89-I187 HydrophobicContact CB-CD1 4.11Å; V89-I187 HydrophobicContact CG2-CB 3.94Å; V89-I187 HydrophobicContact CG2-CD1 3.64Å; V89-I187 HydrophobicContact CG2-CG1 4.36Å; L92-I187 HydrophobicContact CD2-CD1 4.28Å; L118-I187 HydrophobicContact CD1-CD1 4.18Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; A183-I187 PolarHBondContact O-N 2.75Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.26Å; L184-I187 PolarHBondContact O-N 3.39Å; D185-I187 PolarHBondContact O-N 2.93Å; I187-R189 PolarHBondContact O-N 3.46Å; I187-L190 HydrophobicContact CD1-CD1 3.72Å; I187-L190 HydrophobicContact CG1-CD1 4.43Å; I187-L190 WeakPolarHBondContact O-CB 3.29Å; I187-L190 WeakPolarHBondContact O-CG 3.42Å; I187-L190 PolarHBondContact O-N 3.21Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.27Å |
| 188 | C | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -20.6 | -175.5 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | L184 D185 L190 L235 T238 L239 Y243 | L184-C188 WeakPolarHBondContact O-CB 3.32Å; L184-C188 PolarHBondContact O-N 3.38Å; L184-C188 VanDerWaalsContact O-N 3.1Å; L184-C188 PolarHBondContact O-SG 3Å; D185-C188 PolarHBondContact O-N 2.83Å; C188-L190 VanDerWaalsContact C-N 3.32Å; C188-L235 HydrophobicContact CB-CD1 4.41Å; C188-T238 HydrophobicContact CB-CG2 3.71Å; C188-L239 HydrophobicContact CB-CD2 4.39Å; C188-Y243 HydrophobicContact CB-CE2 4.08Å; C188-Y243 VanDerWaalsContact O-CE2 3.26Å; C188-Y243 WeakPolarHBondContact O-CE2 3.49Å; C188-Y243 PolarHBondContact O-OH 2.82Å |
| 189 | R | 95.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 42.6 Ų | 42.6 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.5 | 171.7 | -70.3 | -179.4 | -175.9 | 169.8 | 8.9 | 114.6 | D185 Q186 I187 T238 R242 | D185-R189 WeakPolarHBondContact O-CG 3.4Å; D185-R189 PolarHBondContact O-N 3.48Å; D185-R189 IonicContact OD1-CZ 3.61Å; D185-R189 IonicContact OD1-NE 2.71Å; D185-R189 PolarHBondContact OD1-NE 2.96Å; D185-R189 VanDerWaalsContact OD1-NE 3.16Å; D185-R189 IonicContact OD1-NH2 2.88Å; D185-R189 PolarHBondContact OD1-NH2 3.47Å; D185-R189 IonicContact OD2-CZ 2.83Å; D185-R189 IonicContact OD2-NE 2.71Å; D185-R189 PolarHBondContact OD2-NE 2.96Å; D185-R189 IonicContact OD2-NH1 2.76Å; D185-R189 PolarHBondContact OD2-NH1 3.37Å; D185-R189 IonicContact OD2-NH2 3.75Å; D185-R189 PolarHBondContact OD2-NH2 3.21Å; Q186-R189 PolarHBondContact O-N 3.34Å; I187-R189 PolarHBondContact O-N 3.46Å; R189-T238 HydrophobicContact CG-CG2 3.68Å; R189-T238 PolarHBondContact NE-OG1 2.95Å; R189-R242 PolarHBondContact O-NH1 3.23Å |
| 190 | L | 94.5 | Very high | 93 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -81.2 | 162.9 | 168.8 | -55.7 | -178.2 | 0 | 0 | 0 | 110.8 | L96 I187 C188 L192 R242 | L96-L190 HydrophobicContact CD1-CB 3.98Å; L96-L190 HydrophobicContact CD1-CD1 4.45Å; I187-L190 HydrophobicContact CD1-CD1 3.72Å; I187-L190 HydrophobicContact CG1-CD1 4.43Å; I187-L190 WeakPolarHBondContact O-CB 3.29Å; I187-L190 WeakPolarHBondContact O-CG 3.42Å; I187-L190 PolarHBondContact O-N 3.21Å; C188-L190 VanDerWaalsContact C-N 3.32Å; L190-L192 HydrophobicContact CB-CD2 3.85Å; L190-L192 HydrophobicContact CB-CG 4.23Å; L190-L192 PolarHBondContact O-N 2.71Å; L190-R242 PolarHBondContact O-NH2 3.31Å |
| 191 | K | 90 | Very high | 92.5 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | trans | -78.2 | 65.4 | 173 | -69.8 | -166.1 | -173.5 | 163.7 | 0 | 111 | Q100 D193 Q194 | Q100-K191 HydrophobicContact CG-CD 4.41Å; K191-D193 VanDerWaalsContact CA-OD1 3.3Å; K191-D193 WeakPolarHBondContact CA-OD1 3.42Å; K191-D193 WeakPolarHBondContact CB-OD1 3.46Å; K191-D193 PolarHBondContact O-N 3.42Å; K191-Q194 HydrophobicContact CB-CG 4.45Å; K191-Q194 PolarHBondContact O-N 3.1Å | ||
| 192 | L | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.9 | -26.8 | -175.4 | -64.2 | -171.6 | 0 | 0 | 0 | 112.1 | L92 L96 L118 I187 L190 Q194 L195 W196 F205 Y243 | L92-L192 HydrophobicContact CD2-CD2 4.16Å; L96-L192 HydrophobicContact CD1-CD2 3.99Å; L118-L192 HydrophobicContact CD2-CD1 4.12Å; L118-L192 HydrophobicContact CD2-CD2 3.89Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.27Å; L190-L192 HydrophobicContact CB-CD2 3.85Å; L190-L192 HydrophobicContact CB-CG 4.23Å; L190-L192 PolarHBondContact O-N 2.71Å; L192-Q194 PolarHBondContact O-N 2.97Å; L192-L195 WeakPolarHBondContact O-CB 3.42Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-W196 HydrophobicContact CB-CZ3 3.91Å; L192-W196 WeakPolarHBondContact O-CZ3 3.26Å; L192-F205 HydrophobicContact CD1-CE1 3.86Å; L192-F205 HydrophobicContact CD1-CZ 4.05Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.4Å; L192-Y243 WeakPolarHBondContact CG-OH 3.34Å |
| 193 | D | 85.6 | Confident | 91.8 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -49.5 | -30 | 175.9 | 55.7 | -65.2 | 0 | 0 | 0 | 114 | K191 L195 W196 P199 | K191-D193 VanDerWaalsContact CA-OD1 3.3Å; K191-D193 WeakPolarHBondContact CA-OD1 3.42Å; K191-D193 WeakPolarHBondContact CB-OD1 3.46Å; K191-D193 PolarHBondContact O-N 3.42Å; D193-L195 PolarHBondContact O-N 3.39Å; D193-L195 VanDerWaalsContact O-N 3.14Å; D193-W196 PolarHBondContact O-N 3.36Å; D193-W196 VanDerWaalsContact O-N 3.15Å; D193-P199 HydrophobicContact CB-CB 4.24Å; D193-P199 VanDerWaalsContact O-CA 3.3Å; D193-P199 WeakPolarHBondContact O-CA 3.45Å; D193-P199 WeakPolarHBondContact O-CB 3.46Å |
| 194 | Q | 88 | Confident | 91.5 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -65.6 | -12.7 | 176 | -61.3 | -170.9 | 2.5 | 0 | 0 | 114.4 | L96 T99 M111 K191 L192 | L96-Q194 HydrophobicContact CD2-CB 3.98Å; T99-Q194 PolarHBondContact OG1-OE1 3.25Å; M111-Q194 VanDerWaalsContact CE-O 3.24Å; M111-Q194 WeakPolarHBondContact CE-O 3.26Å; K191-Q194 HydrophobicContact CB-CG 4.45Å; K191-Q194 PolarHBondContact O-N 3.1Å; L192-Q194 PolarHBondContact O-N 2.97Å |
| 195 | L | 91 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -91.1 | -10.7 | 177.5 | -59.6 | 178.1 | 0 | 0 | 0 | 112.9 | L92 L96 L106 H114 R115 L118 L192 D193 | L92-L195 HydrophobicContact CD1-CD1 4.22Å; L92-L195 HydrophobicContact CD2-CD1 4.08Å; L96-L195 HydrophobicContact CD2-CD2 4.19Å; L96-L195 HydrophobicContact CD2-CG 4.32Å; L106-L195 HydrophobicContact CD1-CD2 4.24Å; H114-L195 HydrophobicContact CB-CD2 3.88Å; R115-L195 HydrophobicContact CB-CB 4.19Å; R115-L195 WeakPolarHBondContact CD-O 3.37Å; L118-L195 HydrophobicContact CD2-CD1 3.84Å; L192-L195 WeakPolarHBondContact O-CB 3.42Å; L192-L195 PolarHBondContact O-N 3.4Å; D193-L195 PolarHBondContact O-N 3.39Å; D193-L195 VanDerWaalsContact O-N 3.14Å |
| 196 | W | 91 | Very high | 91.2 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -108.3 | 149.8 | 178.2 | -74.5 | -103.6 | 0 | 0 | 0 | 111 | R115 L118 L192 D193 P198 P199 V200 A201 E202 F205 | R115-W196 HydrophobicContact CG-CZ2 4.27Å; L118-W196 HydrophobicContact CD2-CH2 4Å; L118-W196 HydrophobicContact CD2-CZ3 4.37Å; L192-W196 HydrophobicContact CB-CZ3 3.91Å; L192-W196 WeakPolarHBondContact O-CZ3 3.26Å; D193-W196 PolarHBondContact O-N 3.36Å; D193-W196 VanDerWaalsContact O-N 3.15Å; W196-P198 CarbonylContact C-O 3.55Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.33Å; W196-P198 CarbonylContact O-C 3.38Å; W196-P199 WeakPolarHBondContact O-CA 3.39Å; W196-V200 WeakPolarHBondContact CB-O 3.49Å; W196-A201 HydrophobicContact CD2-CB 4.17Å; W196-A201 HydrophobicContact CE3-CB 4.19Å; W196-A201 HydrophobicContact CH2-CB 4.11Å; W196-A201 HydrophobicContact CZ2-CB 4.06Å; W196-A201 HydrophobicContact CZ3-CB 4.2Å; W196-E202 PolarHBondContact NE1-OE2 3.39Å; W196-F205 AromaticContact CH2-CD1 3.88Å; W196-F205 HydrophobicContact CH2-CD1 3.88Å; W196-F205 HydrophobicContact CH2-CE1 4Å; W196-F205 HydrophobicContact CH2-CG 4.25Å; W196-F205 HydrophobicContact CH2-CZ 4.46Å; W196-F205 HydrophobicContact CZ2-CB 4.3Å; W196-F205 HydrophobicContact CZ2-CD1 4.03Å; W196-F205 HydrophobicContact CZ2-CG 4.05Å |
| 197 | D | 84.1 | Confident | 91.1 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -135.9 | 106.3 | 172.9 | -178.2 | 20.2 | 0 | 0 | 0 | 108.4 | ||
| 198 | P | 85.4 | Confident | 91.1 | Very high | 92 Ų | 92 | 53.4 Ų | 53.4 | 60% | 0.597 | 28% | 0.278 | S | S | * | . | S | Bend | cis | -63.9 | 160.5 | 1.5 | 29.2 | -36.1 | 0 | 0 | 0 | 112.9 | W196 V200 | W196-P198 CarbonylContact C-O 3.55Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.33Å; W196-P198 CarbonylContact O-C 3.38Å; P198-V200 PolarHBondContact O-N 3.25Å |
| 199 | P | 86 | Confident | 91.1 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -75.9 | 59.5 | -171.8 | 33.3 | -38.2 | 0 | 0 | 0 | 113 | D193 W196 | D193-P199 HydrophobicContact CB-CB 4.24Å; D193-P199 VanDerWaalsContact O-CA 3.3Å; D193-P199 WeakPolarHBondContact O-CA 3.45Å; D193-P199 WeakPolarHBondContact O-CB 3.46Å; W196-P199 WeakPolarHBondContact O-CA 3.39Å |
| 200 | V | 88.1 | Confident | 91.2 | Very high | 105 Ų | 105 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | trans | -132.4 | 118.6 | 177.3 | -179 | 0 | 0 | 0 | 0 | 106.6 | W196 P198 E202 | W196-V200 WeakPolarHBondContact CB-O 3.49Å; P198-V200 PolarHBondContact O-N 3.25Å; V200-E202 PolarHBondContact O-N 3Å | ||
| 201 | A | 88.1 | Confident | 91.4 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | trans | -63.8 | 135.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | W196 F205 I206 Y243 | W196-A201 HydrophobicContact CD2-CB 4.17Å; W196-A201 HydrophobicContact CE3-CB 4.19Å; W196-A201 HydrophobicContact CH2-CB 4.11Å; W196-A201 HydrophobicContact CZ2-CB 4.06Å; W196-A201 HydrophobicContact CZ3-CB 4.2Å; A201-F205 HydrophobicContact CB-CD1 4.39Å; A201-I206 HydrophobicContact CB-CD1 4.35Å; A201-I206 HydrophobicContact CB-CG1 4.44Å; A201-Y243 HydrophobicContact CB-CD1 3.99Å; A201-Y243 HydrophobicContact CB-CE1 4Å | ||
| 202 | E | 90.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | trans | -63 | 145.9 | 177.1 | 67 | -161.5 | -149.6 | 0 | 0 | 111.7 | K119 W196 V200 D204 F205 I206 | K119-E202 VanDerWaalsContact CE-CD 3.42Å; K119-E202 WeakPolarHBondContact CE-OE1 3.46Å; K119-E202 WeakPolarHBondContact CE-OE2 3.48Å; K119-E202 IonicContact NZ-OE1 3.26Å; K119-E202 PolarHBondContact NZ-OE1 3.49Å; K119-E202 IonicContact NZ-OE2 2.72Å; K119-E202 PolarHBondContact NZ-OE2 3.12Å; W196-E202 PolarHBondContact NE1-OE2 3.39Å; V200-E202 PolarHBondContact O-N 3Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 3.49Å; E202-F205 HydrophobicContact CG-CB 3.74Å; E202-F205 WeakPolarHBondContact O-CB 3.35Å; E202-F205 PolarHBondContact O-N 3.47Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E202-I206 PolarHBondContact O-N 3.48Å | ||
| 203 | E | 91.3 | Very high | 92 | Very high | 134 Ų | 134 | 46.4 Ų | 46.4 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | -176 | -162.3 | -177.1 | 159.7 | 0 | 0 | 112.3 | F205 I206 N207 | E203-F205 PolarHBondContact O-N 3.03Å; E203-I206 PolarHBondContact O-N 3.17Å; E203-N207 WeakPolarHBondContact O-CB 3.35Å; E203-N207 VanDerWaalsContact O-CG 3.24Å; E203-N207 PolarHBondContact O-N 3.15Å; E203-N207 PolarHBondContact O-ND2 2.91Å |
| 204 | D | 91.6 | Very high | 92.6 | Very high | 90 Ų | 90 | 44 Ų | 44 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -35.2 | 177.6 | -63.3 | -35.8 | 0 | 0 | 0 | 112.4 | I6 E202 L208 | I6-D204 HydrophobicContact CB-CB 4.28Å; I6-D204 HydrophobicContact CD1-CB 4.19Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 3.49Å; D204-L208 PolarHBondContact O-N 3.46Å |
| 205 | F | 95.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -42 | 175.9 | 174.6 | -102 | 0 | 0 | 0 | 112 | I6 L118 K119 T122 L192 W196 A201 E202 E203 N207 L208 P209 | I6-F205 HydrophobicContact CD1-CB 3.76Å; I6-F205 HydrophobicContact CD1-CD2 4.31Å; L118-F205 HydrophobicContact CD1-CE2 4.3Å; L118-F205 HydrophobicContact CD1-CZ 4.1Å; L118-F205 HydrophobicContact CD2-CE2 4.19Å; L118-F205 HydrophobicContact CD2-CZ 3.84Å; L118-F205 HydrophobicContact CG-CE2 3.84Å; L118-F205 HydrophobicContact CG-CZ 3.86Å; K119-F205 HydrophobicContact CG-CD2 4.08Å; T122-F205 HydrophobicContact CG2-CE2 3.96Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.48Å; L192-F205 HydrophobicContact CD1-CE1 3.86Å; L192-F205 HydrophobicContact CD1-CZ 4.05Å; W196-F205 AromaticContact CH2-CD1 3.88Å; W196-F205 HydrophobicContact CH2-CD1 3.88Å; W196-F205 HydrophobicContact CH2-CE1 4Å; W196-F205 HydrophobicContact CH2-CG 4.25Å; W196-F205 HydrophobicContact CH2-CZ 4.46Å; W196-F205 HydrophobicContact CZ2-CB 4.3Å; W196-F205 HydrophobicContact CZ2-CD1 4.03Å; W196-F205 HydrophobicContact CZ2-CG 4.05Å; A201-F205 HydrophobicContact CB-CD1 4.39Å; E202-F205 HydrophobicContact CG-CB 3.74Å; E202-F205 WeakPolarHBondContact O-CB 3.35Å; E202-F205 PolarHBondContact O-N 3.47Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E203-F205 PolarHBondContact O-N 3.03Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 3.32Å; F205-L208 PolarHBondContact O-N 3.3Å; F205-P209 WeakPolarHBondContact O-CD 3.27Å |
| 206 | I | 95.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 178.2 | -61.5 | 156.9 | 0 | 0 | 0 | 110.5 | A201 E202 E203 L208 P209 A210 L239 Y243 H245 | A201-I206 HydrophobicContact CB-CD1 4.35Å; A201-I206 HydrophobicContact CB-CG1 4.44Å; E202-I206 PolarHBondContact O-N 3.48Å; E203-I206 PolarHBondContact O-N 3.17Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.45Å; I206-P209 VanDerWaalsContact O-CD 3.26Å; I206-P209 WeakPolarHBondContact O-CD 3.28Å; I206-P209 WeakPolarHBondContact O-CG 3.33Å; I206-A210 WeakPolarHBondContact O-CB 3.46Å; I206-A210 PolarHBondContact O-N 2.9Å; I206-L239 HydrophobicContact CG2-CD2 4.3Å; I206-Y243 HydrophobicContact CD1-CD1 4.06Å; I206-Y243 HydrophobicContact CD1-CG 4.26Å; I206-Y243 HydrophobicContact CG1-CD1 3.96Å; I206-Y243 HydrophobicContact CG1-CG 4.1Å; I206-H245 HydrophobicContact CG2-CB 4.29Å |
| 207 | N | 95.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -25.8 | 179.8 | -75.6 | -22.3 | 0 | 0 | 0 | 113.2 | E203 F205 N211 | E203-N207 WeakPolarHBondContact O-CB 3.35Å; E203-N207 VanDerWaalsContact O-CG 3.24Å; E203-N207 PolarHBondContact O-N 3.15Å; E203-N207 PolarHBondContact O-ND2 2.91Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 3.32Å; N207-N211 WeakPolarHBondContact O-CB 3.42Å; N207-N211 PolarHBondContact O-N 3.31Å; N207-N211 PolarHBondContact O-ND2 2.89Å |
| 208 | L | 96.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -62.3 | 176 | -72.2 | 173.3 | 0 | 0 | 0 | 112.9 | I6 T122 Y123 D204 F205 I206 A210 N211 C212 | I6-L208 HydrophobicContact CD1-CD1 3.71Å; I6-L208 HydrophobicContact CD1-CG 4.45Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.96Å; I6-L208 HydrophobicContact CG2-CD2 4.06Å; I6-L208 HydrophobicContact CG2-CG 4.12Å; T122-L208 HydrophobicContact CG2-CB 4.05Å; T122-L208 HydrophobicContact CG2-CD1 4.14Å; Y123-L208 HydrophobicContact CD2-CD2 4.06Å; D204-L208 PolarHBondContact O-N 3.46Å; F205-L208 PolarHBondContact O-N 3.3Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.45Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.04Å; L208-N211 PolarHBondContact O-N 3.08Å; L208-C212 WeakPolarHBondContact O-CB 3.38Å; L208-C212 PolarHBondContact O-N 3.4Å; L208-C212 VanDerWaalsContact O-N 3.08Å |
| 209 | P | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -33 | 177.7 | 26.2 | -33.8 | 0 | 0 | 0 | 112.3 | L184 F205 I206 C212 C213 L235 L239 | L184-P209 HydrophobicContact CD1-CB 4.3Å; L184-P209 HydrophobicContact CD2-CB 4.35Å; F205-P209 WeakPolarHBondContact O-CD 3.27Å; I206-P209 VanDerWaalsContact O-CD 3.26Å; I206-P209 WeakPolarHBondContact O-CD 3.28Å; I206-P209 WeakPolarHBondContact O-CG 3.33Å; P209-C212 WeakPolarHBondContact O-CB 3.35Å; P209-C212 PolarHBondContact O-N 2.94Å; P209-C213 PolarHBondContact O-N 3.1Å; P209-C213 VanDerWaalsContact O-N 3.1Å; P209-C213 PolarHBondContact O-SG 2.89Å; P209-L235 HydrophobicContact CB-CD1 4.36Å; P209-L235 HydrophobicContact CB-CD2 4.2Å; P209-L239 HydrophobicContact CB-CD1 4.38Å; P209-L239 HydrophobicContact CG-CD1 4.32Å; P209-L239 HydrophobicContact CG-CD2 3.99Å |
| 210 | A | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -50.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I206 L208 C212 C213 Y214 L239 H245 | I206-A210 WeakPolarHBondContact O-CB 3.46Å; I206-A210 PolarHBondContact O-N 2.9Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.04Å; A210-C212 VanDerWaalsContact C-N 3.28Å; A210-C212 PolarHBondContact O-N 3.14Å; A210-C213 VanDerWaalsContact O-CB 3.31Å; A210-C213 WeakPolarHBondContact O-CB 3.33Å; A210-C213 PolarHBondContact O-N 2.88Å; A210-C213 VanDerWaalsContact O-N 3.12Å; A210-Y214 HydrophobicContact CB-CE2 3.88Å; A210-Y214 WeakPolarHBondContact O-CD2 3.43Å; A210-Y214 WeakPolarHBondContact O-CE2 3.36Å; A210-Y214 PolarHBondContact O-N 2.91Å; A210-L239 HydrophobicContact CB-CD1 3.93Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.39Å |
| 211 | N | 97.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -33 | 178.3 | -71.2 | -31.8 | 0 | 0 | 0 | 112 | N207 L208 Y214 K215 | N207-N211 WeakPolarHBondContact O-CB 3.42Å; N207-N211 PolarHBondContact O-N 3.31Å; N207-N211 PolarHBondContact O-ND2 2.89Å; L208-N211 PolarHBondContact O-N 3.08Å; N211-Y214 PolarHBondContact O-N 3.36Å; N211-K215 VanDerWaalsContact O-CB 3.27Å; N211-K215 WeakPolarHBondContact O-CB 3.48Å; N211-K215 PolarHBondContact O-N 3.13Å |
| 212 | C | 97.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 170.3 | -171.9 | 0 | 0 | 0 | 0 | 111 | C126 L184 L208 P209 A210 Y214 K215 L216 | C126-C212 HydrophobicContact CB-CB 4.27Å; L184-C212 HydrophobicContact CD1-CB 4.47Å; L208-C212 WeakPolarHBondContact O-CB 3.38Å; L208-C212 PolarHBondContact O-N 3.4Å; L208-C212 VanDerWaalsContact O-N 3.08Å; P209-C212 WeakPolarHBondContact O-CB 3.35Å; P209-C212 PolarHBondContact O-N 2.94Å; A210-C212 VanDerWaalsContact C-N 3.28Å; A210-C212 PolarHBondContact O-N 3.14Å; C212-Y214 PolarHBondContact O-N 3.32Å; C212-K215 PolarHBondContact O-N 2.66Å; C212-L216 VanDerWaalsContact O-CG 3.29Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.14Å; C212-L216 VanDerWaalsContact O-N 3.08Å |
| 213 | C | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -49.6 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 113 | P209 A210 K215 L216 L217 V232 L235 L236 | P209-C213 PolarHBondContact O-N 3.1Å; P209-C213 VanDerWaalsContact O-N 3.1Å; P209-C213 PolarHBondContact O-SG 2.89Å; A210-C213 VanDerWaalsContact O-CB 3.31Å; A210-C213 WeakPolarHBondContact O-CB 3.33Å; A210-C213 PolarHBondContact O-N 2.88Å; A210-C213 VanDerWaalsContact O-N 3.12Å; C213-K215 VanDerWaalsContact C-N 3.29Å; C213-K215 PolarHBondContact O-N 2.96Å; C213-L216 PolarHBondContact O-N 3.2Å; C213-L217 WeakPolarHBondContact O-CG 3.1Å; C213-L217 PolarHBondContact O-N 3.49Å; C213-L217 VanDerWaalsContact O-N 3.13Å; C213-V232 HydrophobicContact CB-CG1 3.87Å; C213-L235 WeakPolarHBondContact SG-CD2 3.31Å; C213-L236 HydrophobicContact CB-CD2 3.89Å; C213-L236 HydrophobicContact CB-CG 4.18Å |
| 214 | Y | 98.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | -177.6 | -58.7 | -45.3 | 0 | 0 | 0 | 111.9 | A210 N211 C212 L217 E218 L236 H245 C249 K252 L253 L256 | A210-Y214 HydrophobicContact CB-CE2 3.88Å; A210-Y214 WeakPolarHBondContact O-CD2 3.43Å; A210-Y214 WeakPolarHBondContact O-CE2 3.36Å; A210-Y214 PolarHBondContact O-N 2.91Å; N211-Y214 PolarHBondContact O-N 3.36Å; C212-Y214 PolarHBondContact O-N 3.32Å; Y214-L217 PolarHBondContact O-N 3.17Å; Y214-E218 PolarHBondContact O-N 3.38Å; Y214-L236 HydrophobicContact CE1-CD1 4.42Å; Y214-L236 HydrophobicContact CE1-CD2 3.82Å; Y214-H245 AromaticContact CE2-NE2 3.94Å; Y214-H245 AromaticContact CZ-NE2 4Å; Y214-H245 PolarHBondContact OH-CD2 3.01Å; Y214-H245 PolarHBondContact OH-NE2 3.29Å; Y214-H245 VanDerWaalsContact OH-NE2 3.15Å; Y214-C249 WeakPolarHBondContact OH-CA 3.46Å; Y214-C249 WeakPolarHBondContact OH-CB 3.33Å; Y214-C249 PolarHBondContact OH-SG 3.39Å; Y214-K252 HydrophobicContact CD1-CB 3.87Å; Y214-K252 HydrophobicContact CD2-CB 3.81Å; Y214-K252 HydrophobicContact CD2-CD 4.13Å; Y214-K252 HydrophobicContact CD2-CG 3.76Å; Y214-K252 HydrophobicContact CE1-CB 3.76Å; Y214-K252 HydrophobicContact CE2-CB 3.69Å; Y214-K252 HydrophobicContact CE2-CG 3.66Å; Y214-K252 HydrophobicContact CG-CB 3.94Å; Y214-K252 HydrophobicContact CG-CG 4.34Å; Y214-L253 HydrophobicContact CD1-CD2 4.44Å; Y214-L253 HydrophobicContact CE1-CD2 4.22Å; Y214-L253 HydrophobicContact CE1-CG 4.38Å; Y214-L256 HydrophobicContact CD1-CD1 4.04Å |
| 215 | K | 94.6 | Very high | 95 | Very high | 69 Ų | 69 | 34 Ų | 34 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.3 | -173 | 63.9 | -176 | 166.4 | 0 | 112 | N134 N211 C212 C213 L217 E218 | N134-K215 WeakPolarHBondContact OD1-CE 3.08Å; N211-K215 VanDerWaalsContact O-CB 3.27Å; N211-K215 WeakPolarHBondContact O-CB 3.48Å; N211-K215 PolarHBondContact O-N 3.13Å; C212-K215 PolarHBondContact O-N 2.66Å; C213-K215 VanDerWaalsContact C-N 3.29Å; C213-K215 PolarHBondContact O-N 2.96Å; K215-L217 VanDerWaalsContact C-N 3.26Å; K215-L217 PolarHBondContact O-N 3.44Å; K215-E218 WeakPolarHBondContact CD-OE2 3.39Å; K215-E218 IonicContact NZ-OE2 2.71Å; K215-E218 PolarHBondContact NZ-OE2 2.6Å; K215-E218 WeakPolarHBondContact O-CB 3.42Å; K215-E218 PolarHBondContact O-N 3.1Å |
| 216 | L | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -32 | 176.4 | -70.1 | 172 | 0 | 0 | 0 | 112.8 | V129 E133 C177 V181 C212 C213 E218 I222 V232 | V129-L216 HydrophobicContact CG1-CD1 4.28Å; V129-L216 HydrophobicContact CG1-CD2 3.85Å; V129-L216 HydrophobicContact CG1-CG 4.26Å; E133-L216 HydrophobicContact CG-CD2 3.59Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.03Å; C177-L216 VanDerWaalsContact SG-CD2 3.59Å; V181-L216 HydrophobicContact CG2-CD1 3.6Å; C212-L216 VanDerWaalsContact O-CG 3.29Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.14Å; C212-L216 VanDerWaalsContact O-N 3.08Å; C213-L216 PolarHBondContact O-N 3.2Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-I222 HydrophobicContact CB-CG2 3.98Å; L216-I222 HydrophobicContact CD2-CG2 4.04Å; L216-I222 WeakPolarHBondContact O-CG2 3.41Å; L216-V232 HydrophobicContact CD1-CG2 4.36Å |
| 217 | L | 96.7 | Very high | 95 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.2 | -17.7 | 178.2 | -69.2 | 172.3 | 0 | 0 | 0 | 113.7 | C213 Y214 K215 D219 A223 V232 L236 L253 L256 H262 M263 I270 | C213-L217 WeakPolarHBondContact O-CG 3.1Å; C213-L217 PolarHBondContact O-N 3.49Å; C213-L217 VanDerWaalsContact O-N 3.13Å; Y214-L217 PolarHBondContact O-N 3.17Å; K215-L217 VanDerWaalsContact C-N 3.26Å; K215-L217 PolarHBondContact O-N 3.44Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.32Å; L217-A223 HydrophobicContact CD2-CB 4.24Å; L217-V232 HydrophobicContact CD1-CG1 3.99Å; L217-V232 HydrophobicContact CD2-CG1 4.2Å; L217-V232 HydrophobicContact CG-CG1 4.11Å; L217-L236 HydrophobicContact CD1-CD1 4.5Å; L217-L253 HydrophobicContact CD1-CD2 4.19Å; L217-L256 HydrophobicContact CB-CD1 3.91Å; L217-L256 HydrophobicContact CD1-CD1 4.17Å; L217-H262 PolarHBondContact O-NE2 3.16Å; L217-M263 HydrophobicContact CB-CE 4.49Å; L217-M263 HydrophobicContact CB-SD 4.08Å; L217-M263 HydrophobicContact CD1-CE 4.44Å; L217-I270 HydrophobicContact CD1-CD1 4.33Å |
| 218 | E | 94.4 | Very high | 95 | Very high | 74 Ų | 74 | 38 Ų | 38 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 173.8 | -62.2 | -179.6 | -177.8 | 0 | 0 | 111.6 | Y214 K215 L216 L256 F260 H262 | Y214-E218 PolarHBondContact O-N 3.38Å; K215-E218 WeakPolarHBondContact CD-OE2 3.39Å; K215-E218 IonicContact NZ-OE2 2.71Å; K215-E218 PolarHBondContact NZ-OE2 2.6Å; K215-E218 WeakPolarHBondContact O-CB 3.42Å; K215-E218 PolarHBondContact O-N 3.1Å; L216-E218 VanDerWaalsContact C-N 3.32Å; E218-L256 HydrophobicContact CG-CD2 3.71Å; E218-F260 HydrophobicContact CB-CE2 3.95Å; E218-F260 HydrophobicContact CB-CZ 3.86Å; E218-F260 HydrophobicContact CG-CE2 3.79Å; E218-F260 HydrophobicContact CG-CZ 4.01Å; E218-H262 PolarHBondContact O-CE1 3.25Å |
| 219 | D | 91.3 | Very high | 95 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -83.3 | 123.9 | 179.1 | -169.4 | -33.2 | 0 | 0 | 0 | 110.9 | N137 L217 D221 I222 A223 | N137-D219 PolarHBondContact ND2-OD2 3.42Å; N137-D219 PolarHBondContact OD1-OD2 3.09Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.32Å; D219-D221 PolarHBondContact O-N 3.48Å; D219-D221 PolarHBondContact OD1-N 3.41Å; D219-I222 HydrophobicContact CB-CB 4.09Å; D219-I222 HydrophobicContact CB-CG1 3.99Å; D219-A223 WeakPolarHBondContact O-CB 3.29Å; D219-A223 PolarHBondContact O-N 3.35Å |
| 220 | R | 92.8 | Very high | 94.9 | Very high | 153 Ų | 153 | 43.3 Ų | 43.3 | 58% | 0.577 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.8 | -44 | 178.3 | 177.3 | -170.6 | -71.1 | -165.2 | -1.7 | 111.8 | A223 S224 H262 | R220-A223 PolarHBondContact O-N 3.43Å; R220-S224 WeakPolarHBondContact O-CB 3.47Å; R220-S224 PolarHBondContact O-N 3.12Å; R220-S224 PolarHBondContact O-OG 2.97Å; R220-H262 HydrophobicContact CG-CB 4.23Å |
| 221 | D | 90.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 43.9 Ų | 43.9 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.5 | -42.9 | -171.1 | -69.2 | -27.1 | 0 | 0 | 0 | 109.9 | F174 D219 S224 N225 | F174-D221 HydrophobicContact CZ-CB 4.45Å; D219-D221 PolarHBondContact O-N 3.48Å; D219-D221 PolarHBondContact OD1-N 3.41Å; D221-S224 PolarHBondContact O-N 3.06Å; D221-S224 PolarHBondContact O-OG 2.86Å; D221-N225 PolarHBondContact O-N 3.5Å |
| 222 | I | 91.9 | Very high | 95 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 172.7 | -59.9 | -67.6 | 0 | 0 | 0 | 111.2 | E133 F174 L216 D219 S224 N225 I228 | E133-I222 WeakPolarHBondContact OE1-CD1 3.31Å; F174-I222 HydrophobicContact CD1-CD1 3.96Å; F174-I222 HydrophobicContact CE1-CD1 3.69Å; F174-I222 HydrophobicContact CZ-CD1 4.38Å; L216-I222 HydrophobicContact CB-CG2 3.98Å; L216-I222 HydrophobicContact CD2-CG2 4.04Å; L216-I222 WeakPolarHBondContact O-CG2 3.41Å; D219-I222 HydrophobicContact CB-CB 4.09Å; D219-I222 HydrophobicContact CB-CG1 3.99Å; I222-S224 PolarHBondContact O-N 3.4Å; I222-N225 WeakPolarHBondContact O-CB 3.35Å; I222-N225 PolarHBondContact O-N 2.67Å; I222-N225 VanDerWaalsContact O-N 3.15Å; I222-I228 HydrophobicContact CD1-CD1 4.13Å; I222-I228 HydrophobicContact CG2-CD1 4.16Å; I222-I228 HydrophobicContact CG2-CG2 3.83Å |
| 223 | A | 91.6 | Very high | 95 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -27.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 D219 R220 R229 | L217-A223 HydrophobicContact CD2-CB 4.24Å; D219-A223 WeakPolarHBondContact O-CB 3.29Å; D219-A223 PolarHBondContact O-N 3.35Å; R220-A223 PolarHBondContact O-N 3.43Å; A223-R229 WeakPolarHBondContact O-CD 3.46Å; A223-R229 PolarHBondContact O-NH1 3Å |
| 224 | S | 92 | Very high | 94.9 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77.3 | -27.7 | 177.3 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | R220 D221 I222 A226 R229 | R220-S224 WeakPolarHBondContact O-CB 3.47Å; R220-S224 PolarHBondContact O-N 3.12Å; R220-S224 PolarHBondContact O-OG 2.97Å; D221-S224 PolarHBondContact O-N 3.06Å; D221-S224 PolarHBondContact O-OG 2.86Å; I222-S224 PolarHBondContact O-N 3.4Å; S224-A226 PolarHBondContact O-N 3.06Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 2.95Å |
| 225 | N | 94.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 46 Ų | 46 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | trans | -63.5 | 120.6 | 177.9 | -174 | -53.5 | 0 | 0 | 0 | 110.7 | F174 D221 I222 N227 I228 R229 | F174-N225 HydrophobicContact CD1-CB 4Å; F174-N225 VanDerWaalsContact CD1-ND2 3.27Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.47Å; F174-N225 HydrophobicContact CE1-CB 4.26Å; D221-N225 PolarHBondContact O-N 3.5Å; I222-N225 WeakPolarHBondContact O-CB 3.35Å; I222-N225 PolarHBondContact O-N 2.67Å; I222-N225 VanDerWaalsContact O-N 3.15Å; N225-N227 PolarHBondContact O-N 3.2Å; N225-N227 PolarHBondContact OD1-N 3.42Å; N225-I228 HydrophobicContact CB-CB 4.38Å; N225-I228 HydrophobicContact CB-CD1 4.24Å; N225-I228 HydrophobicContact CB-CG1 4.32Å; N225-I228 PolarHBondContact OD1-N 3.44Å; N225-R229 WeakPolarHBondContact O-CB 3.41Å; N225-R229 PolarHBondContact O-N 3.29Å | ||
| 226 | A | 94.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -41 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S224 I230 | S224-A226 PolarHBondContact O-N 3.06Å; A226-I230 WeakPolarHBondContact O-CB 3.43Å; A226-I230 WeakPolarHBondContact O-CD1 3.49Å; A226-I230 WeakPolarHBondContact O-CG1 3.34Å; A226-I230 PolarHBondContact O-N 3.36Å |
| 227 | N | 96.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.4 | -47.2 | -175.8 | -65.2 | -7.6 | 0 | 0 | 0 | 111.5 | E178 N225 R229 I230 A231 | E178-N227 HydrophobicContact CG-CB 4.11Å; E178-N227 WeakPolarHBondContact OE2-CB 3.33Å; E178-N227 PolarHBondContact OE2-ND2 2.97Å; E178-N227 VanDerWaalsContact OE2-ND2 3.13Å; N225-N227 PolarHBondContact O-N 3.2Å; N225-N227 PolarHBondContact OD1-N 3.42Å; N227-R229 VanDerWaalsContact C-N 3.35Å; N227-R229 PolarHBondContact O-N 3.49Å; N227-I230 PolarHBondContact O-N 3.4Å; N227-A231 WeakPolarHBondContact O-CB 3.04Å; N227-A231 PolarHBondContact O-N 3.09Å |
| 228 | I | 96.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.6 | -57.2 | 177.7 | 0 | 0 | 0 | 109.9 | F174 C177 E178 I222 N225 I230 A231 V232 | F174-I228 HydrophobicContact CB-CD1 4.1Å; F174-I228 HydrophobicContact CD1-CD1 3.61Å; F174-I228 HydrophobicContact CG-CD1 4.3Å; C177-I228 HydrophobicContact CB-CD1 4.11Å; E178-I228 HydrophobicContact CB-CG1 4.18Å; I222-I228 HydrophobicContact CD1-CD1 4.13Å; I222-I228 HydrophobicContact CG2-CD1 4.16Å; I222-I228 HydrophobicContact CG2-CG2 3.83Å; N225-I228 HydrophobicContact CB-CB 4.38Å; N225-I228 HydrophobicContact CB-CD1 4.24Å; N225-I228 HydrophobicContact CB-CG1 4.32Å; N225-I228 PolarHBondContact OD1-N 3.44Å; I228-I230 VanDerWaalsContact C-N 3.32Å; I228-I230 PolarHBondContact O-N 3.49Å; I228-A231 WeakPolarHBondContact O-CB 3.16Å; I228-A231 PolarHBondContact O-N 3.13Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-V232 HydrophobicContact CG2-CG2 4.16Å; I228-V232 WeakPolarHBondContact O-CG2 3.36Å; I228-V232 PolarHBondContact O-N 3.06Å |
| 229 | R | 96 | Very high | 95.3 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -43.6 | 176.9 | -177 | 171 | 57.5 | -118.2 | -4.2 | 111.8 | A223 S224 N225 N227 V232 I233 | A223-R229 WeakPolarHBondContact O-CD 3.46Å; A223-R229 PolarHBondContact O-NH1 3Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 2.95Å; N225-R229 WeakPolarHBondContact O-CB 3.41Å; N225-R229 PolarHBondContact O-N 3.29Å; N227-R229 VanDerWaalsContact C-N 3.35Å; N227-R229 PolarHBondContact O-N 3.49Å; R229-V232 PolarHBondContact O-N 3.15Å; R229-I233 HydrophobicContact CG-CD1 3.88Å; R229-I233 WeakPolarHBondContact O-CB 3.38Å; R229-I233 WeakPolarHBondContact O-CD1 3.12Å; R229-I233 WeakPolarHBondContact O-CG1 3.35Å; R229-I233 PolarHBondContact O-N 3.38Å |
| 230 | I | 96 | Very high | 95.5 | Very high | 78 Ų | 78 | 38.5 Ų | 38.5 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.1 | -71.5 | 164.2 | 0 | 0 | 0 | 111 | A226 N227 I228 I233 R234 | A226-I230 WeakPolarHBondContact O-CB 3.43Å; A226-I230 WeakPolarHBondContact O-CD1 3.49Å; A226-I230 WeakPolarHBondContact O-CG1 3.34Å; A226-I230 PolarHBondContact O-N 3.36Å; N227-I230 PolarHBondContact O-N 3.4Å; I228-I230 VanDerWaalsContact C-N 3.32Å; I228-I230 PolarHBondContact O-N 3.49Å; I230-I233 PolarHBondContact O-N 3.35Å; I230-R234 WeakPolarHBondContact O-CG 3.48Å; I230-R234 PolarHBondContact O-N 3.5Å |
| 231 | A | 97.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V181 N227 I228 R234 L235 | V181-A231 HydrophobicContact CB-CB 4.03Å; V181-A231 VanDerWaalsContact CG1-C 3.48Å; V181-A231 HydrophobicContact CG1-CB 3.7Å; N227-A231 WeakPolarHBondContact O-CB 3.04Å; N227-A231 PolarHBondContact O-N 3.09Å; I228-A231 WeakPolarHBondContact O-CB 3.16Å; I228-A231 PolarHBondContact O-N 3.13Å; I228-A231 VanDerWaalsContact O-N 3.1Å; A231-R234 PolarHBondContact O-N 2.86Å; A231-L235 PolarHBondContact O-N 3.18Å |
| 232 | V | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | V181 C213 L216 L217 I228 R229 R234 L235 L236 | V181-V232 HydrophobicContact CG1-CG2 4.03Å; V181-V232 HydrophobicContact CG2-CG2 4.4Å; C213-V232 HydrophobicContact CB-CG1 3.87Å; L216-V232 HydrophobicContact CD1-CG2 4.36Å; L217-V232 HydrophobicContact CD1-CG1 3.99Å; L217-V232 HydrophobicContact CD2-CG1 4.2Å; L217-V232 HydrophobicContact CG-CG1 4.11Å; I228-V232 HydrophobicContact CG2-CG2 4.16Å; I228-V232 WeakPolarHBondContact O-CG2 3.36Å; I228-V232 PolarHBondContact O-N 3.06Å; R229-V232 PolarHBondContact O-N 3.15Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3Å; V232-L235 PolarHBondContact O-N 3.09Å; V232-L236 HydrophobicContact CG1-CD1 4.01Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CB 3.25Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.19Å |
| 233 | I | 97.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -47.7 | 176.5 | -73.3 | 164.5 | 0 | 0 | 0 | 110.8 | R229 I230 L236 A237 A269 I270 S273 | R229-I233 HydrophobicContact CG-CD1 3.88Å; R229-I233 WeakPolarHBondContact O-CB 3.38Å; R229-I233 WeakPolarHBondContact O-CD1 3.12Å; R229-I233 WeakPolarHBondContact O-CG1 3.35Å; R229-I233 PolarHBondContact O-N 3.38Å; I230-I233 PolarHBondContact O-N 3.35Å; I233-L236 PolarHBondContact O-N 2.99Å; I233-A237 WeakPolarHBondContact O-CB 3.19Å; I233-A237 PolarHBondContact O-N 3.46Å; I233-A269 HydrophobicContact CD1-CB 4.24Å; I233-I270 HydrophobicContact CD1-CG1 4.26Å; I233-I270 HydrophobicContact CG1-CB 4.44Å; I233-I270 HydrophobicContact CG1-CG1 3.68Å; I233-S273 WeakPolarHBondContact CG2-OG 3.46Å |
| 234 | R | 96.7 | Very high | 95.7 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 49% | 0.494 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -44.2 | 178.8 | -75.5 | 174.6 | 177.6 | 173.4 | 1.9 | 112 | I230 A231 V232 A237 T238 | I230-R234 WeakPolarHBondContact O-CG 3.48Å; I230-R234 PolarHBondContact O-N 3.5Å; A231-R234 PolarHBondContact O-N 2.86Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3Å; R234-A237 PolarHBondContact O-N 2.82Å; R234-T238 PolarHBondContact O-N 2.91Å; R234-T238 PolarHBondContact O-OG1 2.98Å; R234-T238 VanDerWaalsContact O-OG1 3.14Å |
| 235 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 177.3 | 177.4 | 49.9 | 0 | 0 | 0 | 111 | V181 L184 D185 C188 P209 C213 A231 V232 A237 T238 L239 | V181-L235 HydrophobicContact CG1-CB 4.27Å; V181-L235 HydrophobicContact CG1-CD2 3.98Å; L184-L235 HydrophobicContact CB-CD1 4.38Å; L184-L235 HydrophobicContact CB-CD2 3.63Å; L184-L235 HydrophobicContact CD1-CD2 4.1Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.25Å; C188-L235 HydrophobicContact CB-CD1 4.41Å; P209-L235 HydrophobicContact CB-CD1 4.36Å; P209-L235 HydrophobicContact CB-CD2 4.2Å; C213-L235 WeakPolarHBondContact SG-CD2 3.31Å; A231-L235 PolarHBondContact O-N 3.18Å; V232-L235 PolarHBondContact O-N 3.09Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 2.91Å; L235-T238 WeakPolarHBondContact O-CB 3.4Å; L235-T238 PolarHBondContact O-N 3.39Å; L235-T238 VanDerWaalsContact O-N 3.17Å; L235-L239 HydrophobicContact CD1-CD1 4.05Å; L235-L239 HydrophobicContact CD1-CD2 4.32Å; L235-L239 HydrophobicContact CD1-CG 3.94Å; L235-L239 HydrophobicContact CG-CD1 4.14Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.37Å |
| 236 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.5 | -70.4 | 177.4 | 0 | 0 | 0 | 111.9 | C213 Y214 L217 V232 I233 T238 L239 V240 F274 | C213-L236 HydrophobicContact CB-CD2 3.89Å; C213-L236 HydrophobicContact CB-CG 4.18Å; Y214-L236 HydrophobicContact CE1-CD1 4.42Å; Y214-L236 HydrophobicContact CE1-CD2 3.82Å; L217-L236 HydrophobicContact CD1-CD1 4.5Å; V232-L236 HydrophobicContact CG1-CD1 4.01Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CB 3.25Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.19Å; I233-L236 PolarHBondContact O-N 2.99Å; L236-T238 PolarHBondContact O-N 3.43Å; L236-L239 PolarHBondContact O-N 2.91Å; L236-V240 WeakPolarHBondContact O-CB 3.26Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.19Å; L236-F274 HydrophobicContact CB-CZ 4.24Å |
| 237 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 R234 L235 R241 F274 E278 L280 | I233-A237 WeakPolarHBondContact O-CB 3.19Å; I233-A237 PolarHBondContact O-N 3.46Å; R234-A237 PolarHBondContact O-N 2.82Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 2.91Å; A237-R241 WeakPolarHBondContact O-CB 3.41Å; A237-R241 PolarHBondContact O-N 3.45Å; A237-F274 HydrophobicContact CB-CD1 4.49Å; A237-F274 HydrophobicContact CB-CE1 3.9Å; A237-E278 HydrophobicContact CB-CB 4.49Å; A237-E278 HydrophobicContact CB-CG 3.72Å; A237-L280 HydrophobicContact CB-CD1 4.39Å |
| 238 | T | 96.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | D185 C188 R189 R234 L235 L236 V240 R241 R242 | D185-T238 WeakPolarHBondContact OD1-CB 3.48Å; D185-T238 PolarHBondContact OD1-OG1 3.49Å; C188-T238 HydrophobicContact CB-CG2 3.71Å; R189-T238 HydrophobicContact CG-CG2 3.68Å; R189-T238 PolarHBondContact NE-OG1 2.95Å; R234-T238 PolarHBondContact O-N 2.91Å; R234-T238 PolarHBondContact O-OG1 2.98Å; R234-T238 VanDerWaalsContact O-OG1 3.14Å; L235-T238 WeakPolarHBondContact O-CB 3.4Å; L235-T238 PolarHBondContact O-N 3.39Å; L235-T238 VanDerWaalsContact O-N 3.17Å; L236-T238 PolarHBondContact O-N 3.43Å; T238-V240 PolarHBondContact O-N 3.37Å; T238-R241 PolarHBondContact O-N 3.28Å; T238-R242 WeakPolarHBondContact O-CB 3.12Å; T238-R242 PolarHBondContact O-N 3.15Å |
| 239 | L | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | -179.7 | -66.9 | 174.4 | 0 | 0 | 0 | 111.7 | C188 I206 P209 A210 L235 L236 Y243 H245 | C188-L239 HydrophobicContact CB-CD2 4.39Å; I206-L239 HydrophobicContact CG2-CD2 4.3Å; P209-L239 HydrophobicContact CB-CD1 4.38Å; P209-L239 HydrophobicContact CG-CD1 4.32Å; P209-L239 HydrophobicContact CG-CD2 3.99Å; A210-L239 HydrophobicContact CB-CD1 3.93Å; L235-L239 HydrophobicContact CD1-CD1 4.05Å; L235-L239 HydrophobicContact CD1-CD2 4.32Å; L235-L239 HydrophobicContact CD1-CG 3.94Å; L235-L239 HydrophobicContact CG-CD1 4.14Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.49Å; L235-L239 PolarHBondContact O-N 3.37Å; L236-L239 PolarHBondContact O-N 2.91Å; L239-Y243 HydrophobicContact CD2-CD2 4.26Å; L239-Y243 WeakPolarHBondContact O-CA 3.46Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 2.79Å; L239-H245 HydrophobicContact CB-CB 4.22Å |
| 240 | V | 96.2 | Very high | 96 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 176.9 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L236 T238 G244 C249 L280 V283 | L236-V240 WeakPolarHBondContact O-CB 3.26Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.19Å; T238-V240 PolarHBondContact O-N 3.37Å; V240-G244 PolarHBondContact O-N 3.36Å; V240-C249 HydrophobicContact CG2-CB 4.09Å; V240-L280 HydrophobicContact CG1-CD1 4.14Å; V240-V283 HydrophobicContact CG1-CG1 4.19Å; V240-V283 HydrophobicContact CG1-CG2 3.71Å |
| 241 | R | 92.1 | Very high | 96 | Very high | 119 Ų | 119 | 34.5 Ų | 34.5 | 45% | 0.449 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.8 | -38.1 | -174.2 | -176.6 | 175.7 | -64.6 | 109.7 | -3.2 | 113.4 | A237 T238 E278 | A237-R241 WeakPolarHBondContact O-CB 3.41Å; A237-R241 PolarHBondContact O-N 3.45Å; T238-R241 PolarHBondContact O-N 3.28Å; R241-E278 IonicContact CZ-OE2 2.79Å; R241-E278 IonicContact NH1-OE2 3.83Å; R241-E278 PolarHBondContact NH1-OE2 2.7Å; R241-E278 PolarHBondContact NH2-O 2.82Å; R241-E278 IonicContact NH2-OE2 3.46Å; R241-E278 PolarHBondContact NH2-OE2 3.4Å |
| 242 | R | 92.9 | Very high | 96 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -102.8 | -25.5 | -168.5 | -63.8 | -165.2 | 66.2 | 162.9 | -9.7 | 114.5 | R189 L190 T238 | R189-R242 PolarHBondContact O-NH1 3.23Å; L190-R242 PolarHBondContact O-NH2 3.31Å; T238-R242 WeakPolarHBondContact O-CB 3.12Å; T238-R242 PolarHBondContact O-N 3.15Å |
| 243 | Y | 94.5 | Very high | 96 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 15% | 0.153 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -122.9 | 9.5 | -171.4 | -59.5 | -86.1 | 0 | 0 | 0 | 113.2 | C188 L192 A201 I206 L239 H245 | C188-Y243 HydrophobicContact CB-CE2 4.08Å; C188-Y243 VanDerWaalsContact O-CE2 3.26Å; C188-Y243 WeakPolarHBondContact O-CE2 3.49Å; C188-Y243 PolarHBondContact O-OH 2.82Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.4Å; L192-Y243 WeakPolarHBondContact CG-OH 3.34Å; A201-Y243 HydrophobicContact CB-CD1 3.99Å; A201-Y243 HydrophobicContact CB-CE1 4Å; I206-Y243 HydrophobicContact CD1-CD1 4.06Å; I206-Y243 HydrophobicContact CD1-CG 4.26Å; I206-Y243 HydrophobicContact CG1-CD1 3.96Å; I206-Y243 HydrophobicContact CG1-CG 4.1Å; L239-Y243 HydrophobicContact CD2-CD2 4.26Å; L239-Y243 WeakPolarHBondContact O-CA 3.46Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 2.79Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 3.42Å |
| 244 | G | 90.4 | Very high | 96 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 61% | 0.608 | 19% | 0.188 | S | C | * | . | trans | 69 | 24.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V240 S246 | V240-G244 PolarHBondContact O-N 3.36Å; G244-S246 PolarHBondContact O-N 2.96Å; G244-S246 VanDerWaalsContact O-N 3.1Å | ||
| 245 | H | 96 | Very high | 96 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 20 | -173.8 | -161.4 | 69.5 | 0 | 0 | 0 | 114.6 | I206 A210 Y214 L239 Y243 A248 C249 | I206-H245 HydrophobicContact CG2-CB 4.29Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.39Å; Y214-H245 AromaticContact CE2-NE2 3.94Å; Y214-H245 AromaticContact CZ-NE2 4Å; Y214-H245 PolarHBondContact OH-CD2 3.01Å; Y214-H245 PolarHBondContact OH-NE2 3.29Å; Y214-H245 VanDerWaalsContact OH-NE2 3.15Å; L239-H245 HydrophobicContact CB-CB 4.22Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 3.42Å; H245-A248 VanDerWaalsContact CE1-CB 3.48Å; H245-A248 WeakPolarHBondContact CE1-CB 3.17Å; H245-C249 WeakPolarHBondContact O-CB 3.45Å; H245-C249 PolarHBondContact O-N 2.98Å; H245-C249 VanDerWaalsContact O-N 3.09Å |
| 246 | S | 94.7 | Very high | 96 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 19% | 0.189 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | -171.5 | 67.5 | 0 | 0 | 0 | 0 | 114 | G244 C249 S250 E286 | G244-S246 PolarHBondContact O-N 2.96Å; G244-S246 VanDerWaalsContact O-N 3.1Å; S246-C249 PolarHBondContact O-N 3.1Å; S246-S250 WeakPolarHBondContact O-CB 3.5Å; S246-S250 PolarHBondContact O-N 3Å; S246-S250 PolarHBondContact O-OG 2.68Å; S246-E286 PolarHBondContact OG-OE2 3.21Å |
| 247 | I | 95.1 | Very high | 96 | Very high | 113 Ų | 113 | 35.1 Ų | 35.1 | 58% | 0.579 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65.4 | -53.8 | -177.2 | -60.6 | 157.3 | 0 | 0 | 0 | 109.9 | C249 S250 V251 E286 | I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.36Å; I247-S250 WeakPolarHBondContact O-CB 3.2Å; I247-S250 PolarHBondContact O-N 3.41Å; I247-S250 VanDerWaalsContact O-N 3.15Å; I247-V251 WeakPolarHBondContact O-CG2 3.47Å; I247-V251 PolarHBondContact O-N 2.9Å; I247-V251 VanDerWaalsContact O-N 3.09Å; I247-E286 WeakPolarHBondContact CA-OE1 3.42Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.43Å |
| 248 | A | 95.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H245 V251 K252 | H245-A248 VanDerWaalsContact CE1-CB 3.48Å; H245-A248 WeakPolarHBondContact CE1-CB 3.17Å; A248-V251 PolarHBondContact O-N 2.91Å; A248-K252 WeakPolarHBondContact O-CB 3.43Å; A248-K252 WeakPolarHBondContact O-CG 3.37Å; A248-K252 PolarHBondContact O-N 3.5Å |
| 249 | C | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.6 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | Y214 V240 H245 S246 I247 V251 K252 L253 | Y214-C249 WeakPolarHBondContact OH-CA 3.46Å; Y214-C249 WeakPolarHBondContact OH-CB 3.33Å; Y214-C249 PolarHBondContact OH-SG 3.39Å; V240-C249 HydrophobicContact CG2-CB 4.09Å; H245-C249 WeakPolarHBondContact O-CB 3.45Å; H245-C249 PolarHBondContact O-N 2.98Å; H245-C249 VanDerWaalsContact O-N 3.09Å; S246-C249 PolarHBondContact O-N 3.1Å; I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.36Å; C249-V251 PolarHBondContact O-N 3Å; C249-K252 PolarHBondContact O-N 2.92Å; C249-L253 WeakPolarHBondContact O-CB 3.34Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.27Å; C249-L253 PolarHBondContact O-N 3.13Å |
| 250 | S | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.9 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S246 I247 A254 L287 | S246-S250 WeakPolarHBondContact O-CB 3.5Å; S246-S250 PolarHBondContact O-N 3Å; S246-S250 PolarHBondContact O-OG 2.68Å; I247-S250 WeakPolarHBondContact O-CB 3.2Å; I247-S250 PolarHBondContact O-N 3.41Å; I247-S250 VanDerWaalsContact O-N 3.15Å; S250-A254 WeakPolarHBondContact O-CB 3.34Å; S250-A254 PolarHBondContact O-N 2.64Å; S250-L287 WeakPolarHBondContact O-CD1 3.45Å |
| 251 | V | 97 | Very high | 95.6 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -47.4 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I247 A248 C249 A254 Q255 E290 | I247-V251 WeakPolarHBondContact O-CG2 3.47Å; I247-V251 PolarHBondContact O-N 2.9Å; I247-V251 VanDerWaalsContact O-N 3.09Å; A248-V251 PolarHBondContact O-N 2.91Å; C249-V251 PolarHBondContact O-N 3Å; V251-A254 PolarHBondContact O-N 3.34Å; V251-Q255 WeakPolarHBondContact O-CG 3.33Å; V251-Q255 PolarHBondContact O-N 3.1Å; V251-E290 HydrophobicContact CG2-CG 4.34Å |
| 252 | K | 97.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 42 Ų | 42 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | -177.5 | -73.7 | -71.2 | 178.1 | -169.2 | 0 | 112.8 | Y214 A248 C249 Q255 L256 | Y214-K252 HydrophobicContact CD1-CB 3.87Å; Y214-K252 HydrophobicContact CD2-CB 3.81Å; Y214-K252 HydrophobicContact CD2-CD 4.13Å; Y214-K252 HydrophobicContact CD2-CG 3.76Å; Y214-K252 HydrophobicContact CE1-CB 3.76Å; Y214-K252 HydrophobicContact CE2-CB 3.69Å; Y214-K252 HydrophobicContact CE2-CG 3.66Å; Y214-K252 HydrophobicContact CG-CB 3.94Å; Y214-K252 HydrophobicContact CG-CG 4.34Å; A248-K252 WeakPolarHBondContact O-CB 3.43Å; A248-K252 WeakPolarHBondContact O-CG 3.37Å; A248-K252 PolarHBondContact O-N 3.5Å; C249-K252 PolarHBondContact O-N 2.92Å; K252-Q255 PolarHBondContact O-N 3.47Å; K252-L256 WeakPolarHBondContact O-CG 3.38Å; K252-L256 PolarHBondContact O-N 2.99Å |
| 253 | L | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | 176.3 | -68.6 | 177 | 0 | 0 | 0 | 112.1 | Y214 L217 C249 L256 L257 M263 L267 I270 L287 | Y214-L253 HydrophobicContact CD1-CD2 4.44Å; Y214-L253 HydrophobicContact CE1-CD2 4.22Å; Y214-L253 HydrophobicContact CE1-CG 4.38Å; L217-L253 HydrophobicContact CD1-CD2 4.19Å; C249-L253 WeakPolarHBondContact O-CB 3.34Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.27Å; C249-L253 PolarHBondContact O-N 3.13Å; L253-L256 HydrophobicContact CD2-CD1 4.35Å; L253-L256 PolarHBondContact O-N 3.2Å; L253-L257 WeakPolarHBondContact O-CB 3.26Å; L253-L257 PolarHBondContact O-N 3.42Å; L253-M263 HydrophobicContact CD2-CE 4.48Å; L253-L267 HydrophobicContact CB-CD1 3.84Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.08Å; L253-L267 HydrophobicContact CG-CD1 4.11Å; L253-I270 HydrophobicContact CD1-CD1 4.46Å; L253-I270 HydrophobicContact CD1-CG2 4.24Å; L253-I270 HydrophobicContact CD2-CD1 3.84Å; L253-L287 HydrophobicContact CB-CD1 3.84Å; L253-L287 HydrophobicContact CD1-CD2 4.47Å |
| 254 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S250 V251 L257 Q258 E290 I291 Y294 | S250-A254 WeakPolarHBondContact O-CB 3.34Å; S250-A254 PolarHBondContact O-N 2.64Å; V251-A254 PolarHBondContact O-N 3.34Å; A254-L257 PolarHBondContact O-N 2.91Å; A254-Q258 PolarHBondContact O-N 3.24Å; A254-E290 HydrophobicContact CB-CG 3.89Å; A254-I291 HydrophobicContact CB-CG1 3.9Å; A254-Y294 HydrophobicContact CB-CE2 3.92Å |
| 255 | Q | 96.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 175 | -72.8 | 173.8 | -6.5 | 0 | 0 | 112.3 | V251 K252 L257 Q258 C259 | V251-Q255 WeakPolarHBondContact O-CG 3.33Å; V251-Q255 PolarHBondContact O-N 3.1Å; K252-Q255 PolarHBondContact O-N 3.47Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.34Å; Q255-Q258 WeakPolarHBondContact O-CB 3.35Å; Q255-Q258 PolarHBondContact O-N 3.41Å; Q255-C259 PolarHBondContact O-N 2.81Å; Q255-C259 VanDerWaalsContact O-N 3.13Å; Q255-C259 PolarHBondContact O-SG 3.44Å; Q255-C259 VanDerWaalsContact O-SG 3.42Å |
| 256 | L | 98.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.8 | -73.1 | 172.8 | 0 | 0 | 0 | 111.6 | Y214 L217 E218 K252 L253 Q258 C259 F260 M263 | Y214-L256 HydrophobicContact CD1-CD1 4.04Å; L217-L256 HydrophobicContact CB-CD1 3.91Å; L217-L256 HydrophobicContact CD1-CD1 4.17Å; E218-L256 HydrophobicContact CG-CD2 3.71Å; K252-L256 WeakPolarHBondContact O-CG 3.38Å; K252-L256 PolarHBondContact O-N 2.99Å; L253-L256 HydrophobicContact CD2-CD1 4.35Å; L253-L256 PolarHBondContact O-N 3.2Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-C259 PolarHBondContact O-N 3.21Å; L256-F260 HydrophobicContact CD2-CD2 3.95Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.46Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 2.98Å; L256-M263 HydrophobicContact CB-CE 3.91Å; L256-M263 HydrophobicContact CB-CG 4.09Å; L256-M263 HydrophobicContact CB-SD 4.37Å; L256-M263 HydrophobicContact CD1-CE 4.2Å |
| 257 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 176 | -179.1 | 64.8 | 0 | 0 | 0 | 112.5 | L253 A254 Q255 M263 V264 L267 I291 N308 F309 F312 | L253-L257 WeakPolarHBondContact O-CB 3.26Å; L253-L257 PolarHBondContact O-N 3.42Å; A254-L257 PolarHBondContact O-N 2.91Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.34Å; L257-M263 HydrophobicContact CB-CB 4.42Å; L257-M263 HydrophobicContact CD1-CB 4.08Å; L257-V264 HydrophobicContact CD1-CB 4.49Å; L257-V264 HydrophobicContact CD1-CG2 3.81Å; L257-L267 HydrophobicContact CB-CD2 4.23Å; L257-L267 HydrophobicContact CD2-CD2 3.88Å; L257-I291 HydrophobicContact CD2-CD1 3.9Å; L257-I291 HydrophobicContact CD2-CG1 4.47Å; L257-N308 HydrophobicContact CD1-CB 4.17Å; L257-N308 HydrophobicContact CG-CB 4.44Å; L257-N308 VanDerWaalsContact O-CB 3.26Å; L257-N308 WeakPolarHBondContact O-CB 3.46Å; L257-N308 PolarHBondContact O-ND2 3.33Å; L257-F309 HydrophobicContact CB-CD1 4.41Å; L257-F309 HydrophobicContact CB-CE1 4Å; L257-F309 HydrophobicContact CD2-CD1 3.48Å; L257-F309 VanDerWaalsContact CD2-CD1 3.48Å; L257-F309 HydrophobicContact CD2-CE1 3.79Å; L257-F309 HydrophobicContact CG-CD1 3.66Å; L257-F309 HydrophobicContact CG-CE1 3.77Å; L257-F312 HydrophobicContact CD1-CB 4.13Å; L257-F312 HydrophobicContact CD1-CG 4.45Å; L257-F312 HydrophobicContact CD2-CB 3.74Å; L257-F312 HydrophobicContact CD2-CD1 3.6Å; L257-F312 HydrophobicContact CD2-CD2 4.39Å; L257-F312 HydrophobicContact CD2-CE1 4.31Å; L257-F312 HydrophobicContact CD2-CG 3.63Å |
| 258 | Q | 94.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.6 | -51 | 173.4 | -171.3 | -173.1 | 8.6 | 0 | 0 | 110.7 | A254 Q255 L256 Y294 A305 N308 F309 | A254-Q258 PolarHBondContact O-N 3.24Å; Q255-Q258 WeakPolarHBondContact O-CB 3.35Å; Q255-Q258 PolarHBondContact O-N 3.41Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; Q258-Y294 HydrophobicContact CG-CE1 4.38Å; Q258-A305 HydrophobicContact CB-CB 4.49Å; Q258-A305 HydrophobicContact CG-CB 3.55Å; Q258-N308 PolarHBondContact O-ND2 2.9Å; Q258-F309 HydrophobicContact CB-CE1 4.3Å; Q258-F309 HydrophobicContact CB-CZ 3.86Å; Q258-F309 HydrophobicContact CG-CZ 4.33Å |
| 259 | C | 94.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 31.6 Ų | 31.6 | 54% | 0.541 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -78.7 | -30.6 | -171.8 | -65.1 | 0 | 0 | 0 | 0 | 114.4 | Q255 L256 | Q255-C259 PolarHBondContact O-N 2.81Å; Q255-C259 VanDerWaalsContact O-N 3.13Å; Q255-C259 PolarHBondContact O-SG 3.44Å; Q255-C259 VanDerWaalsContact O-SG 3.42Å; L256-C259 PolarHBondContact O-N 3.21Å |
| 260 | F | 95.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 31.7 Ų | 31.7 | 26% | 0.263 | 18% | 0.176 | S | C | . | . | trans | -129.4 | 116.2 | -164.2 | -57.5 | -69.5 | 0 | 0 | 0 | 113.9 | E218 L256 H262 M263 | E218-F260 HydrophobicContact CB-CE2 3.95Å; E218-F260 HydrophobicContact CB-CZ 3.86Å; E218-F260 HydrophobicContact CG-CE2 3.79Å; E218-F260 HydrophobicContact CG-CZ 4.01Å; L256-F260 HydrophobicContact CD2-CD2 3.95Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.46Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 2.98Å; F260-H262 VanDerWaalsContact C-N 3.34Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.39Å; F260-H262 AromaticContact CG-CE1 3.89Å; F260-H262 PolarHBondContact O-N 3.3Å; F260-M263 HydrophobicContact CB-CG 3.84Å; F260-M263 VanDerWaalsContact O-CB 3.28Å; F260-M263 WeakPolarHBondContact O-CB 3.36Å; F260-M263 PolarHBondContact O-N 2.94Å; F260-M263 VanDerWaalsContact O-N 3.1Å | ||
| 261 | P | 95.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30 | -179.2 | 9.3 | -19.2 | 0 | 0 | 0 | 115.8 | M263 V264 N308 | P261-M263 PolarHBondContact O-N 2.97Å; P261-V264 WeakPolarHBondContact O-CG2 3.48Å; P261-V264 PolarHBondContact O-N 3.36Å; P261-N308 WeakPolarHBondContact CA-OD1 3.34Å; P261-N308 WeakPolarHBondContact CB-OD1 3.26Å |
| 262 | H | 95.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.7 | 177.5 | 64.5 | -88.3 | 0 | 0 | 0 | 112.8 | L217 E218 R220 F260 V264 T265 C266 | L217-H262 PolarHBondContact O-NE2 3.16Å; E218-H262 PolarHBondContact O-CE1 3.25Å; R220-H262 HydrophobicContact CG-CB 4.23Å; F260-H262 VanDerWaalsContact C-N 3.34Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.39Å; F260-H262 AromaticContact CG-CE1 3.89Å; F260-H262 PolarHBondContact O-N 3.3Å; H262-V264 PolarHBondContact O-N 3.37Å; H262-T265 PolarHBondContact O-N 3.44Å; H262-C266 PolarHBondContact O-N 3Å; H262-C266 PolarHBondContact O-SG 3.23Å; H262-C266 VanDerWaalsContact O-SG 3.35Å |
| 263 | M | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.1 | -18.2 | 177.3 | -72.8 | -62 | -58.4 | 0 | 0 | 112.8 | L217 L253 L256 L257 F260 P261 T265 C266 L267 | L217-M263 HydrophobicContact CB-CE 4.49Å; L217-M263 HydrophobicContact CB-SD 4.08Å; L217-M263 HydrophobicContact CD1-CE 4.44Å; L253-M263 HydrophobicContact CD2-CE 4.48Å; L256-M263 HydrophobicContact CB-CE 3.91Å; L256-M263 HydrophobicContact CB-CG 4.09Å; L256-M263 HydrophobicContact CB-SD 4.37Å; L256-M263 HydrophobicContact CD1-CE 4.2Å; L257-M263 HydrophobicContact CB-CB 4.42Å; L257-M263 HydrophobicContact CD1-CB 4.08Å; F260-M263 HydrophobicContact CB-CG 3.84Å; F260-M263 VanDerWaalsContact O-CB 3.28Å; F260-M263 WeakPolarHBondContact O-CB 3.36Å; F260-M263 PolarHBondContact O-N 2.94Å; F260-M263 VanDerWaalsContact O-N 3.1Å; P261-M263 PolarHBondContact O-N 2.97Å; M263-T265 VanDerWaalsContact C-N 3.34Å; M263-T265 PolarHBondContact O-N 3.26Å; M263-C266 HydrophobicContact CE-CB 4.46Å; M263-C266 PolarHBondContact O-N 3.01Å; M263-C266 HydrophobicContact SD-CB 4.06Å; M263-L267 HydrophobicContact CE-CB 4.48Å; M263-L267 WeakPolarHBondContact O-CA 3.01Å; M263-L267 WeakPolarHBondContact O-CB 3.46Å; M263-L267 PolarHBondContact O-N 2.86Å |
| 264 | V | 96.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 13% | 0.127 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -51.9 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L257 P261 H262 M268 N308 N311 F312 | L257-V264 HydrophobicContact CD1-CB 4.49Å; L257-V264 HydrophobicContact CD1-CG2 3.81Å; P261-V264 WeakPolarHBondContact O-CG2 3.48Å; P261-V264 PolarHBondContact O-N 3.36Å; H262-V264 PolarHBondContact O-N 3.37Å; V264-M268 WeakPolarHBondContact O-CB 3.48Å; V264-M268 VanDerWaalsContact O-CG 3.25Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.14Å; V264-M268 VanDerWaalsContact O-N 3.15Å; V264-N308 HydrophobicContact CG2-CB 4.37Å; V264-N311 HydrophobicContact CG1-CB 4.13Å; V264-N311 HydrophobicContact CG2-CB 4.2Å; V264-F312 HydrophobicContact CG1-CB 4.26Å; V264-F312 HydrophobicContact CG2-CB 4.4Å |
| 265 | T | 95.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 33.3 Ų | 33.3 | 63% | 0.632 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -71.6 | -41.3 | -179.7 | -49.9 | 0 | 0 | 0 | 0 | 112 | H262 M263 M268 A269 | H262-T265 PolarHBondContact O-N 3.44Å; M263-T265 VanDerWaalsContact C-N 3.34Å; M263-T265 PolarHBondContact O-N 3.26Å; T265-M268 PolarHBondContact O-N 3.27Å; T265-A269 PolarHBondContact O-N 3.43Å; T265-A269 VanDerWaalsContact O-N 3.17Å |
| 266 | C | 95.4 | Very high | 96 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | H262 M263 M268 A269 I270 | H262-C266 PolarHBondContact O-N 3Å; H262-C266 PolarHBondContact O-SG 3.23Å; H262-C266 VanDerWaalsContact O-SG 3.35Å; M263-C266 HydrophobicContact CE-CB 4.46Å; M263-C266 PolarHBondContact O-N 3.01Å; M263-C266 HydrophobicContact SD-CB 4.06Å; C266-M268 VanDerWaalsContact C-N 3.33Å; C266-M268 PolarHBondContact O-N 3.44Å; C266-A269 WeakPolarHBondContact O-CB 3.28Å; C266-A269 PolarHBondContact O-N 3.34Å; C266-A269 VanDerWaalsContact O-N 3.14Å; C266-I270 PolarHBondContact O-N 3.1Å |
| 267 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.6 | -33.2 | 177.6 | -167.3 | 60.9 | 0 | 0 | 0 | 111.7 | L253 L257 M263 A269 I270 V271 L287 I291 F312 | L253-L267 HydrophobicContact CB-CD1 3.84Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.08Å; L253-L267 HydrophobicContact CG-CD1 4.11Å; L257-L267 HydrophobicContact CB-CD2 4.23Å; L257-L267 HydrophobicContact CD2-CD2 3.88Å; M263-L267 HydrophobicContact CE-CB 4.48Å; M263-L267 WeakPolarHBondContact O-CA 3.01Å; M263-L267 WeakPolarHBondContact O-CB 3.46Å; M263-L267 PolarHBondContact O-N 2.86Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.22Å; L267-I270 HydrophobicContact CD1-CB 4.24Å; L267-I270 HydrophobicContact CD1-CD1 3.95Å; L267-I270 HydrophobicContact CD1-CG2 4.45Å; L267-I270 WeakPolarHBondContact O-CB 3.15Å; L267-I270 PolarHBondContact O-N 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.35Å; L267-L287 HydrophobicContact CD1-CD2 3.89Å; L267-L287 HydrophobicContact CD2-CD2 4.29Å; L267-L287 HydrophobicContact CG-CD2 4.26Å; L267-I291 HydrophobicContact CD2-CD1 4.18Å; L267-F312 HydrophobicContact CB-CD2 4.18Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.31Å; L267-F312 HydrophobicContact CD2-CD1 4.42Å; L267-F312 HydrophobicContact CD2-CD2 4.18Å; L267-F312 HydrophobicContact CD2-CE1 3.92Å; L267-F312 HydrophobicContact CD2-CE2 3.67Å; L267-F312 HydrophobicContact CD2-CZ 3.51Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.54Å; L267-F312 HydrophobicContact CG-CZ 3.63Å |
| 268 | M | 96.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 170.1 | -80.5 | -58.2 | -57.1 | 0 | 0 | 112.4 | V264 T265 C266 V271 R272 F312 E315 V316 | V264-M268 WeakPolarHBondContact O-CB 3.48Å; V264-M268 VanDerWaalsContact O-CG 3.25Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.14Å; V264-M268 VanDerWaalsContact O-N 3.15Å; T265-M268 PolarHBondContact O-N 3.27Å; C266-M268 VanDerWaalsContact C-N 3.33Å; C266-M268 PolarHBondContact O-N 3.44Å; M268-V271 PolarHBondContact O-N 3.14Å; M268-R272 WeakPolarHBondContact O-CB 3.19Å; M268-R272 PolarHBondContact O-N 3.04Å; M268-F312 HydrophobicContact CG-CD2 3.95Å; M268-F312 HydrophobicContact CG-CE2 3.93Å; M268-F312 HydrophobicContact SD-CD2 4.06Å; M268-F312 HydrophobicContact SD-CE2 3.74Å; M268-E315 HydrophobicContact CE-CB 4.49Å; M268-E315 HydrophobicContact CE-CG 4Å; M268-E315 HydrophobicContact CG-CB 4.09Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.05Å; M268-E315 HydrophobicContact SD-CG 4.03Å; M268-V316 HydrophobicContact CE-CG2 4.43Å; M268-V316 HydrophobicContact SD-CB 4.32Å; M268-V316 HydrophobicContact SD-CG2 3.4Å; M268-V316 WeakPolarHBondContact SD-CG2 3.44Å |
| 269 | A | 95.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 T265 C266 L267 R272 S273 | I233-A269 HydrophobicContact CD1-CB 4.24Å; T265-A269 PolarHBondContact O-N 3.43Å; T265-A269 VanDerWaalsContact O-N 3.17Å; C266-A269 WeakPolarHBondContact O-CB 3.28Å; C266-A269 PolarHBondContact O-N 3.34Å; C266-A269 VanDerWaalsContact O-N 3.14Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.22Å; A269-R272 PolarHBondContact O-N 3.46Å; A269-S273 PolarHBondContact O-N 3.08Å |
| 270 | I | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 173.3 | -65.5 | 165.1 | 0 | 0 | 0 | 110.2 | L217 I233 L253 C266 L267 R272 S273 F274 | L217-I270 HydrophobicContact CD1-CD1 4.33Å; I233-I270 HydrophobicContact CD1-CG1 4.26Å; I233-I270 HydrophobicContact CG1-CB 4.44Å; I233-I270 HydrophobicContact CG1-CG1 3.68Å; L253-I270 HydrophobicContact CD1-CD1 4.46Å; L253-I270 HydrophobicContact CD1-CG2 4.24Å; L253-I270 HydrophobicContact CD2-CD1 3.84Å; C266-I270 PolarHBondContact O-N 3.1Å; L267-I270 HydrophobicContact CD1-CB 4.24Å; L267-I270 HydrophobicContact CD1-CD1 3.95Å; L267-I270 HydrophobicContact CD1-CG2 4.45Å; L267-I270 WeakPolarHBondContact O-CB 3.15Å; L267-I270 PolarHBondContact O-N 3.23Å; I270-R272 PolarHBondContact O-N 3.3Å; I270-S273 PolarHBondContact O-N 2.84Å; I270-F274 HydrophobicContact CG2-CD1 4.15Å; I270-F274 HydrophobicContact CG2-CD2 4.23Å; I270-F274 HydrophobicContact CG2-CE1 3.97Å; I270-F274 HydrophobicContact CG2-CE2 4.04Å; I270-F274 HydrophobicContact CG2-CG 4.29Å; I270-F274 HydrophobicContact CG2-CZ 3.91Å; I270-F274 WeakPolarHBondContact O-CB 3.4Å; I270-F274 WeakPolarHBondContact O-CD1 3.4Å; I270-F274 WeakPolarHBondContact O-CG 3.4Å; I270-F274 PolarHBondContact O-N 3.47Å |
| 271 | V | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.9 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | L267 M268 S273 F274 I275 V284 L287 F312 Y320 | L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.35Å; M268-V271 PolarHBondContact O-N 3.14Å; V271-S273 PolarHBondContact O-N 3.5Å; V271-F274 PolarHBondContact O-N 3.27Å; V271-I275 HydrophobicContact CG1-CD1 3.75Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CG1 3.36Å; V271-I275 PolarHBondContact O-N 3.28Å; V271-V284 HydrophobicContact CG1-CG1 3.81Å; V271-V284 HydrophobicContact CG1-CG2 4.49Å; V271-V284 HydrophobicContact CG2-CG1 4.17Å; V271-L287 HydrophobicContact CG2-CD2 4.11Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.95Å; V271-Y320 HydrophobicContact CG1-CD2 4.36Å; V271-Y320 HydrophobicContact CG1-CE2 4.06Å |
| 272 | R | 96.3 | Very high | 94.8 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.4 | -53 | 177.4 | 178.4 | 174.3 | -70.2 | 134.7 | 0 | 111.2 | M268 A269 I270 F274 I275 E276 Y320 | M268-R272 WeakPolarHBondContact O-CB 3.19Å; M268-R272 PolarHBondContact O-N 3.04Å; A269-R272 PolarHBondContact O-N 3.46Å; I270-R272 PolarHBondContact O-N 3.3Å; R272-F274 VanDerWaalsContact C-N 3.32Å; R272-F274 PolarHBondContact O-N 3.42Å; R272-I275 PolarHBondContact O-N 2.74Å; R272-E276 HydrophobicContact CG-CG 4.43Å; R272-E276 VanDerWaalsContact CG-OE2 3.31Å; R272-E276 WeakPolarHBondContact CG-OE2 3.41Å; R272-E276 WeakPolarHBondContact O-CB 3.47Å; R272-E276 PolarHBondContact O-N 2.76Å; R272-Y320 WeakPolarHBondContact CA-OH 3.49Å; R272-Y320 WeakPolarHBondContact CG-OH 3.4Å |
| 273 | S | 94.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 179.8 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | I233 A269 I270 V271 I275 D277 E278 | I233-S273 WeakPolarHBondContact CG2-OG 3.46Å; A269-S273 PolarHBondContact O-N 3.08Å; I270-S273 PolarHBondContact O-N 2.84Å; V271-S273 PolarHBondContact O-N 3.5Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.11Å; S273-D277 WeakPolarHBondContact CA-OD2 3.16Å; S273-D277 WeakPolarHBondContact CB-OD2 3.36Å; S273-D277 WeakPolarHBondContact O-CA 3.43Å; S273-D277 WeakPolarHBondContact O-CB 3.37Å; S273-D277 PolarHBondContact O-N 3.36Å; S273-D277 PolarHBondContact OG-OD2 3.21Å; S273-E278 PolarHBondContact O-N 2.85Å |
| 274 | F | 96.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 176.5 | -82.3 | 20.4 | 0 | 0 | 0 | 112.6 | L236 A237 I270 V271 R272 K279 L280 V283 V284 | L236-F274 HydrophobicContact CB-CZ 4.24Å; A237-F274 HydrophobicContact CB-CD1 4.49Å; A237-F274 HydrophobicContact CB-CE1 3.9Å; I270-F274 HydrophobicContact CG2-CD1 4.15Å; I270-F274 HydrophobicContact CG2-CD2 4.23Å; I270-F274 HydrophobicContact CG2-CE1 3.97Å; I270-F274 HydrophobicContact CG2-CE2 4.04Å; I270-F274 HydrophobicContact CG2-CG 4.29Å; I270-F274 HydrophobicContact CG2-CZ 3.91Å; I270-F274 WeakPolarHBondContact O-CB 3.4Å; I270-F274 WeakPolarHBondContact O-CD1 3.4Å; I270-F274 WeakPolarHBondContact O-CG 3.4Å; I270-F274 PolarHBondContact O-N 3.47Å; V271-F274 PolarHBondContact O-N 3.27Å; R272-F274 VanDerWaalsContact C-N 3.32Å; R272-F274 PolarHBondContact O-N 3.42Å; F274-K279 CarbonylContact O-C 3.59Å; F274-K279 PolarHBondContact O-N 3.28Å; F274-K279 VanDerWaalsContact O-N 3.11Å; F274-L280 HydrophobicContact CB-CB 4.32Å; F274-L280 HydrophobicContact CD1-CD1 4.47Å; F274-L280 HydrophobicContact CD2-CD1 4.5Å; F274-L280 HydrophobicContact CG-CB 4.49Å; F274-L280 HydrophobicContact CG-CD1 4.4Å; F274-L280 PolarHBondContact O-N 2.71Å; F274-V283 HydrophobicContact CD2-CG1 4.36Å; F274-V283 HydrophobicContact CE2-CG1 4.23Å; F274-V284 HydrophobicContact CB-CG2 3.71Å; F274-V284 HydrophobicContact CD2-CG2 4.31Å |
| 275 | I | 94.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.3 | -53 | 178.1 | -65.9 | 174.4 | 0 | 0 | 0 | 111 | V271 R272 S273 V284 Y320 L323 | V271-I275 HydrophobicContact CG1-CD1 3.75Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CG1 3.36Å; V271-I275 PolarHBondContact O-N 3.28Å; R272-I275 PolarHBondContact O-N 2.74Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.11Å; I275-V284 HydrophobicContact CD1-CG1 4.28Å; I275-V284 HydrophobicContact CG1-CB 4.5Å; I275-V284 HydrophobicContact CG1-CG2 3.98Å; I275-Y320 HydrophobicContact CD1-CD1 4.16Å; I275-Y320 HydrophobicContact CD1-CD2 3.91Å; I275-Y320 HydrophobicContact CD1-CE1 4.16Å; I275-Y320 HydrophobicContact CD1-CE2 3.9Å; I275-Y320 HydrophobicContact CD1-CG 4.05Å; I275-Y320 HydrophobicContact CG2-CE1 4.26Å; I275-L323 HydrophobicContact CD1-CD2 3.91Å |
| 276 | E | 94.1 | Very high | 94.3 | Very high | 106 Ų | 106 | 47.5 Ų | 47.5 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83.5 | -46.2 | -166.5 | -66.3 | 172.1 | -164.8 | 0 | 0 | 112.4 | R272 Y320 | R272-E276 HydrophobicContact CG-CG 4.43Å; R272-E276 VanDerWaalsContact CG-OE2 3.31Å; R272-E276 WeakPolarHBondContact CG-OE2 3.41Å; R272-E276 WeakPolarHBondContact O-CB 3.47Å; R272-E276 PolarHBondContact O-N 2.76Å; E276-Y320 PolarHBondContact OE1-OH 2.89Å |
| 277 | D | 92.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -47.5 | -175.3 | -53.1 | -43 | 0 | 0 | 0 | 111.4 | S273 | S273-D277 WeakPolarHBondContact CA-OD2 3.16Å; S273-D277 WeakPolarHBondContact CB-OD2 3.36Å; S273-D277 WeakPolarHBondContact O-CA 3.43Å; S273-D277 WeakPolarHBondContact O-CB 3.37Å; S273-D277 PolarHBondContact O-N 3.36Å; S273-D277 PolarHBondContact OG-OD2 3.21Å |
| 278 | E | 91 | Very high | 94.3 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -98.4 | -11.7 | -165.8 | -60.9 | -67.5 | 160.8 | 0 | 0 | 113.6 | A237 R241 S273 L280 | A237-E278 HydrophobicContact CB-CB 4.49Å; A237-E278 HydrophobicContact CB-CG 3.72Å; R241-E278 IonicContact CZ-OE2 2.79Å; R241-E278 IonicContact NH1-OE2 3.83Å; R241-E278 PolarHBondContact NH1-OE2 2.7Å; R241-E278 PolarHBondContact NH2-O 2.82Å; R241-E278 IonicContact NH2-OE2 3.46Å; R241-E278 PolarHBondContact NH2-OE2 3.4Å; S273-E278 PolarHBondContact O-N 2.85Å; E278-L280 VanDerWaalsContact C-N 3.25Å; E278-L280 HydrophobicContact CB-CD1 3.96Å; E278-L280 HydrophobicContact CB-CG 3.96Å; E278-L280 PolarHBondContact O-N 2.97Å |
| 279 | K | 91.6 | Very high | 94.1 | Very high | 177 Ų | 177 | 53 Ų | 53 | 77% | 0.77 | 26% | 0.257 | S | S | * | . | trans | 55.8 | 32.4 | -179.5 | -55.1 | -178.7 | -178.7 | 178.6 | 0 | 114.5 | F274 I281 | F274-K279 CarbonylContact O-C 3.59Å; F274-K279 PolarHBondContact O-N 3.28Å; F274-K279 VanDerWaalsContact O-N 3.11Å; K279-I281 PolarHBondContact O-N 2.97Å | ||
| 280 | L | 92.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | trans | -93 | 44.7 | -179.3 | -62.5 | 176.6 | 0 | 0 | 0 | 112.8 | A237 V240 F274 E278 S282 V283 V284 | A237-L280 HydrophobicContact CB-CD1 4.39Å; V240-L280 HydrophobicContact CG1-CD1 4.14Å; F274-L280 HydrophobicContact CB-CB 4.32Å; F274-L280 HydrophobicContact CD1-CD1 4.47Å; F274-L280 HydrophobicContact CD2-CD1 4.5Å; F274-L280 HydrophobicContact CG-CB 4.49Å; F274-L280 HydrophobicContact CG-CD1 4.4Å; F274-L280 PolarHBondContact O-N 2.71Å; E278-L280 VanDerWaalsContact C-N 3.25Å; E278-L280 HydrophobicContact CB-CD1 3.96Å; E278-L280 HydrophobicContact CB-CG 3.96Å; E278-L280 PolarHBondContact O-N 2.97Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.94Å; L280-V283 HydrophobicContact CB-CB 4.24Å; L280-V283 HydrophobicContact CB-CG2 4.11Å; L280-V283 HydrophobicContact CD2-CG2 4.5Å; L280-V283 WeakPolarHBondContact O-CB 3.49Å; L280-V283 PolarHBondContact O-N 3.42Å; L280-V283 VanDerWaalsContact O-N 3.08Å; L280-V284 PolarHBondContact O-N 3.39Å | ||
| 281 | I | 92 | Very high | 93.9 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -29 | -175.2 | -161.3 | 165.7 | 0 | 0 | 0 | 113.8 | K279 V283 V284 R285 | K279-I281 PolarHBondContact O-N 2.97Å; I281-V283 VanDerWaalsContact C-N 3.32Å; I281-V284 PolarHBondContact O-N 3.17Å; I281-R285 WeakPolarHBondContact O-CG 3.41Å; I281-R285 PolarHBondContact O-N 3.36Å |
| 282 | S | 91 | Very high | 93.6 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 58% | 0.58 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 174.6 | 50.1 | 0 | 0 | 0 | 0 | 112 | L280 R285 E286 | L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.94Å; S282-R285 WeakPolarHBondContact O-CB 3.42Å; S282-R285 PolarHBondContact O-N 3.27Å; S282-E286 PolarHBondContact O-N 3.39Å |
| 283 | V | 93.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | V240 F274 L280 I281 R285 E286 L287 | V240-V283 HydrophobicContact CG1-CG1 4.19Å; V240-V283 HydrophobicContact CG1-CG2 3.71Å; F274-V283 HydrophobicContact CD2-CG1 4.36Å; F274-V283 HydrophobicContact CE2-CG1 4.23Å; L280-V283 HydrophobicContact CB-CB 4.24Å; L280-V283 HydrophobicContact CB-CG2 4.11Å; L280-V283 HydrophobicContact CD2-CG2 4.5Å; L280-V283 WeakPolarHBondContact O-CB 3.49Å; L280-V283 PolarHBondContact O-N 3.42Å; L280-V283 VanDerWaalsContact O-N 3.08Å; I281-V283 VanDerWaalsContact C-N 3.32Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.24Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 2.95Å; V283-E286 VanDerWaalsContact O-N 3.14Å; V283-L287 PolarHBondContact O-N 3.15Å |
| 284 | V | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | V271 F274 I275 L280 I281 E286 L287 L288 L323 | V271-V284 HydrophobicContact CG1-CG1 3.81Å; V271-V284 HydrophobicContact CG1-CG2 4.49Å; V271-V284 HydrophobicContact CG2-CG1 4.17Å; F274-V284 HydrophobicContact CB-CG2 3.71Å; F274-V284 HydrophobicContact CD2-CG2 4.31Å; I275-V284 HydrophobicContact CD1-CG1 4.28Å; I275-V284 HydrophobicContact CG1-CB 4.5Å; I275-V284 HydrophobicContact CG1-CG2 3.98Å; L280-V284 PolarHBondContact O-N 3.39Å; I281-V284 PolarHBondContact O-N 3.17Å; V284-E286 VanDerWaalsContact C-N 3.29Å; V284-E286 PolarHBondContact O-N 3.28Å; V284-L287 PolarHBondContact O-N 3.02Å; V284-L288 HydrophobicContact CG1-CD1 4.1Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 VanDerWaalsContact O-CG 3.31Å; V284-L288 WeakPolarHBondContact O-CG 3.35Å; V284-L288 PolarHBondContact O-N 3.45Å; V284-L323 HydrophobicContact CG1-CD2 3.78Å |
| 285 | R | 93.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.6 | -71.4 | 170.4 | -178.4 | -85.9 | -4.3 | 112.1 | I281 S282 V283 K289 L323 S326 | I281-R285 WeakPolarHBondContact O-CG 3.41Å; I281-R285 PolarHBondContact O-N 3.36Å; S282-R285 WeakPolarHBondContact O-CB 3.42Å; S282-R285 PolarHBondContact O-N 3.27Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.24Å; R285-K289 WeakPolarHBondContact O-CB 3.22Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.43Å; R285-L323 HydrophobicContact CG-CD1 3.7Å; R285-S326 PolarHBondContact NH1-OG 3.01Å |
| 286 | E | 93.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 174.7 | -170 | 177.1 | -176 | 0 | 0 | 111.4 | S246 I247 S282 V283 V284 L288 K289 E290 | S246-E286 PolarHBondContact OG-OE2 3.21Å; I247-E286 WeakPolarHBondContact CA-OE1 3.42Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.43Å; S282-E286 PolarHBondContact O-N 3.39Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 2.95Å; V283-E286 VanDerWaalsContact O-N 3.14Å; V284-E286 VanDerWaalsContact C-N 3.29Å; V284-E286 PolarHBondContact O-N 3.28Å; E286-L288 PolarHBondContact O-N 3.14Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 3.41Å; E286-E290 PolarHBondContact O-N 2.69Å |
| 287 | L | 96.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.3 | 172.2 | 64.6 | 0 | 0 | 0 | 112.4 | S250 L253 L267 V271 V283 V284 K289 E290 I291 | S250-L287 WeakPolarHBondContact O-CD1 3.45Å; L253-L287 HydrophobicContact CB-CD1 3.84Å; L253-L287 HydrophobicContact CD1-CD2 4.47Å; L267-L287 HydrophobicContact CD1-CD2 3.89Å; L267-L287 HydrophobicContact CD2-CD2 4.29Å; L267-L287 HydrophobicContact CG-CD2 4.26Å; V271-L287 HydrophobicContact CG2-CD2 4.11Å; V283-L287 PolarHBondContact O-N 3.15Å; V284-L287 PolarHBondContact O-N 3.02Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.14Å; L287-E290 WeakPolarHBondContact O-CB 3.49Å; L287-E290 PolarHBondContact O-N 2.65Å; L287-I291 HydrophobicContact CD1-CD1 3.98Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 4.05Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 3.12Å |
| 288 | L | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 178.5 | -68.8 | 171.3 | 0 | 0 | 0 | 111.8 | V284 E286 E290 I291 C292 F312 L313 V316 L323 I327 | V284-L288 HydrophobicContact CG1-CD1 4.1Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 VanDerWaalsContact O-CG 3.31Å; V284-L288 WeakPolarHBondContact O-CG 3.35Å; V284-L288 PolarHBondContact O-N 3.45Å; E286-L288 PolarHBondContact O-N 3.14Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-I291 PolarHBondContact O-N 3Å; L288-C292 WeakPolarHBondContact O-CB 3.4Å; L288-C292 PolarHBondContact O-N 3.05Å; L288-C292 PolarHBondContact O-SG 3.23Å; L288-F312 HydrophobicContact CD2-CE1 3.85Å; L288-L313 HydrophobicContact CD2-CD2 4.06Å; L288-V316 HydrophobicContact CD1-CG1 4.11Å; L288-V316 HydrophobicContact CD2-CG1 4.27Å; L288-V316 HydrophobicContact CD2-CG2 4.29Å; L288-L323 HydrophobicContact CD1-CD1 4.22Å; L288-L323 HydrophobicContact CD1-CD2 3.7Å; L288-L323 HydrophobicContact CD1-CG 3.82Å; L288-I327 HydrophobicContact CB-CG2 3.93Å; L288-I327 HydrophobicContact CD1-CD1 4.44Å; L288-I327 HydrophobicContact CD1-CG2 3.92Å |
| 289 | K | 93 | Very high | 89.7 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 172.2 | -80.4 | 170.9 | 179 | -174.6 | 0 | 111.6 | R285 E286 L287 C292 S293 L330 | R285-K289 WeakPolarHBondContact O-CB 3.22Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.43Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 3.41Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.14Å; K289-C292 CarbonylContact O-C 3.59Å; K289-C292 PolarHBondContact O-N 3.36Å; K289-S293 WeakPolarHBondContact O-CB 3.28Å; K289-S293 PolarHBondContact O-N 3.26Å; K289-L330 HydrophobicContact CB-CD1 4.44Å; K289-L330 HydrophobicContact CG-CD1 3.56Å |
| 290 | E | 94.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 176.8 | -176.4 | 59.7 | -163.3 | 0 | 0 | 111.3 | V251 A254 E286 L287 L288 C292 S293 Y294 | V251-E290 HydrophobicContact CG2-CG 4.34Å; A254-E290 HydrophobicContact CB-CG 3.89Å; E286-E290 PolarHBondContact O-N 2.69Å; L287-E290 WeakPolarHBondContact O-CB 3.49Å; L287-E290 PolarHBondContact O-N 2.65Å; L288-E290 VanDerWaalsContact C-N 3.31Å; E290-C292 VanDerWaalsContact C-N 3.28Å; E290-C292 PolarHBondContact O-N 2.8Å; E290-S293 WeakPolarHBondContact O-CB 3.31Å; E290-S293 PolarHBondContact O-N 3.44Å; E290-S293 PolarHBondContact O-OG 3.47Å; E290-Y294 WeakPolarHBondContact O-CD2 3.36Å |
| 291 | I | 93.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.3 | -67.2 | 165.9 | 0 | 0 | 0 | 111 | A254 L257 L267 L287 L288 S293 F309 F312 L313 | A254-I291 HydrophobicContact CB-CG1 3.9Å; L257-I291 HydrophobicContact CD2-CD1 3.9Å; L257-I291 HydrophobicContact CD2-CG1 4.47Å; L267-I291 HydrophobicContact CD2-CD1 4.18Å; L287-I291 HydrophobicContact CD1-CD1 3.98Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 4.05Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 3.12Å; L288-I291 PolarHBondContact O-N 3Å; I291-S293 PolarHBondContact O-N 2.91Å; I291-F309 HydrophobicContact CG2-CB 4.41Å; I291-F309 HydrophobicContact CG2-CD1 3.85Å; I291-F309 HydrophobicContact CG2-CE1 4.21Å; I291-F309 HydrophobicContact CG2-CG 4.07Å; I291-F312 HydrophobicContact CD1-CD1 3.79Å; I291-F312 HydrophobicContact CD1-CE1 3.4Å; I291-F312 VanDerWaalsContact CD1-CE1 3.4Å; I291-F312 HydrophobicContact CD1-CZ 4.35Å; I291-L313 HydrophobicContact CG2-CD2 4.31Å; I291-L313 HydrophobicContact CG2-CG 4.47Å |
| 292 | C | 90.5 | Very high | 88.1 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.081 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.3 | -13.2 | 178 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | L288 K289 E290 L330 L331 R334 | L288-C292 WeakPolarHBondContact O-CB 3.4Å; L288-C292 PolarHBondContact O-N 3.05Å; L288-C292 PolarHBondContact O-SG 3.23Å; K289-C292 CarbonylContact O-C 3.59Å; K289-C292 PolarHBondContact O-N 3.36Å; E290-C292 VanDerWaalsContact C-N 3.28Å; E290-C292 PolarHBondContact O-N 2.8Å; C292-L330 HydrophobicContact CB-CB 4.22Å; C292-L331 HydrophobicContact CB-CD2 4.39Å; C292-L331 VanDerWaalsContact SG-CD2 3.55Å; C292-R334 PolarHBondContact O-NH2 2.88Å |
| 293 | S | 89.2 | Confident | 87.9 | Confident | 74 Ų | 74 | 57 Ų | 57 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -82.6 | -16.2 | -177.8 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | K289 E290 I291 N295 | K289-S293 WeakPolarHBondContact O-CB 3.28Å; K289-S293 PolarHBondContact O-N 3.26Å; E290-S293 WeakPolarHBondContact O-CB 3.31Å; E290-S293 PolarHBondContact O-N 3.44Å; E290-S293 PolarHBondContact O-OG 3.47Å; I291-S293 PolarHBondContact O-N 2.91Å; S293-N295 PolarHBondContact O-N 3.08Å |
| 294 | Y | 88.8 | Confident | 87.7 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -59.3 | 129.2 | -179.6 | -85 | -113.1 | 0 | 0 | 0 | 111.7 | A254 Q258 E290 G296 F309 R334 | A254-Y294 HydrophobicContact CB-CE2 3.92Å; Q258-Y294 HydrophobicContact CG-CE1 4.38Å; E290-Y294 WeakPolarHBondContact O-CD2 3.36Å; Y294-G296 PolarHBondContact O-N 3.21Å; Y294-F309 AromaticContact CD1-CE2 3.66Å; Y294-F309 HydrophobicContact CD1-CE2 3.66Å; Y294-F309 AromaticContact CD1-CZ 3.93Å; Y294-F309 HydrophobicContact CD1-CZ 3.93Å; Y294-F309 HydrophobicContact CD2-CE2 4.19Å; Y294-F309 HydrophobicContact CD2-CZ 4.2Å; Y294-F309 HydrophobicContact CE1-CE2 4.17Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.27Å; Y294-F309 AromaticContact CG-CE2 3.67Å; Y294-F309 HydrophobicContact CG-CE2 3.67Å; Y294-F309 HydrophobicContact CG-CZ 4.05Å; Y294-R334 VanDerWaalsContact O-CZ 3.28Å; Y294-R334 PolarHBondContact O-NH1 3.34Å; Y294-R334 VanDerWaalsContact O-NH1 3.12Å; Y294-R334 PolarHBondContact O-NH2 2.75Å |
| 295 | N | 83.2 | Confident | 87.5 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | trans | -63.3 | 132 | -175.7 | -178.8 | 14.1 | 0 | 0 | 0 | 112.1 | S293 A297 D298 L299 | S293-N295 PolarHBondContact O-N 3.08Å; N295-A297 VanDerWaalsContact C-N 3.3Å; N295-A297 PolarHBondContact O-N 3.34Å; N295-A297 PolarHBondContact OD1-N 2.93Å; N295-D298 HydrophobicContact CB-CB 4.37Å; N295-D298 WeakPolarHBondContact CB-OD2 3.25Å; N295-D298 PolarHBondContact ND2-OD2 2.96Å; N295-D298 VanDerWaalsContact ND2-OD2 3.1Å; N295-D298 PolarHBondContact O-N 3Å; N295-D298 VanDerWaalsContact O-N 3.17Å; N295-L299 PolarHBondContact O-N 2.89Å; N295-L299 VanDerWaalsContact O-N 3.14Å | ||
| 296 | G | 77.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -36.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y294 D298 L299 E300 E337 | Y294-G296 PolarHBondContact O-N 3.21Å; G296-D298 VanDerWaalsContact C-N 3.3Å; G296-D298 PolarHBondContact O-N 3.5Å; G296-L299 PolarHBondContact O-N 3.36Å; G296-E300 PolarHBondContact O-N 3.05Å; G296-E337 WeakPolarHBondContact CA-OE1 3.45Å |
| 297 | A | 78.5 | Confident | 87.2 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.2 | -29.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N295 | N295-A297 VanDerWaalsContact C-N 3.3Å; N295-A297 PolarHBondContact O-N 3.34Å; N295-A297 PolarHBondContact OD1-N 2.93Å |
| 298 | D | 81 | Confident | 87.1 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.2 | -36.6 | 176.1 | -65.4 | -42.7 | 0 | 0 | 0 | 110.6 | N295 G296 E300 R301 D302 | N295-D298 HydrophobicContact CB-CB 4.37Å; N295-D298 WeakPolarHBondContact CB-OD2 3.25Å; N295-D298 PolarHBondContact ND2-OD2 2.96Å; N295-D298 VanDerWaalsContact ND2-OD2 3.1Å; N295-D298 PolarHBondContact O-N 3Å; N295-D298 VanDerWaalsContact O-N 3.17Å; G296-D298 VanDerWaalsContact C-N 3.3Å; G296-D298 PolarHBondContact O-N 3.5Å; D298-E300 VanDerWaalsContact C-N 3.31Å; D298-E300 PolarHBondContact O-N 2.86Å; D298-R301 PolarHBondContact O-N 3.04Å; D298-D302 PolarHBondContact O-N 3.49Å |
| 299 | L | 80.5 | Confident | 87 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -32.4 | 173.9 | -72.9 | 178.3 | 0 | 0 | 0 | 113.1 | N295 G296 R301 D302 A305 S306 F309 M342 | N295-L299 PolarHBondContact O-N 2.89Å; N295-L299 VanDerWaalsContact O-N 3.14Å; G296-L299 PolarHBondContact O-N 3.36Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 3.36Å; L299-D302 CarbonylContact O-C 3.52Å; L299-D302 PolarHBondContact O-N 3.28Å; L299-D302 VanDerWaalsContact O-N 3.14Å; L299-A305 HydrophobicContact CD2-CB 3.86Å; L299-S306 VanDerWaalsContact C-OG 3.26Å; L299-S306 WeakPolarHBondContact CB-OG 3.31Å; L299-S306 PolarHBondContact O-OG 2.9Å; L299-F309 HydrophobicContact CD1-CD2 4.01Å; L299-F309 HydrophobicContact CD1-CE2 4.43Å; L299-F309 HydrophobicContact CD2-CD2 3.55Å; L299-F309 HydrophobicContact CD2-CE2 3.6Å; L299-F309 HydrophobicContact CG-CD2 4.44Å; L299-M342 HydrophobicContact CD1-CE 4.46Å; L299-M342 HydrophobicContact CD1-SD 4.49Å |
| 300 | E | 75 | Confident | 86.9 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 173 | -176.4 | -179.2 | 179.4 | 0 | 0 | 112.2 | G296 D298 D302 P339 | G296-E300 PolarHBondContact O-N 3.05Å; D298-E300 VanDerWaalsContact C-N 3.31Å; D298-E300 PolarHBondContact O-N 2.86Å; E300-D302 VanDerWaalsContact C-N 3.25Å; E300-D302 PolarHBondContact O-N 3.27Å; E300-P339 HydrophobicContact CB-CG 3.86Å; E300-P339 HydrophobicContact CG-CG 3.88Å |
| 301 | R | 82.7 | Confident | 86.9 | Confident | 220 Ų | 220 | 52 Ų | 52 | 83% | 0.83 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -72.5 | -21.7 | 178 | -64.5 | 178.1 | 177.2 | -177.4 | -0.3 | 112.6 | D298 L299 | D298-R301 PolarHBondContact O-N 3.04Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 3.36Å |
| 302 | D | 84.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | trans | -117.7 | 82 | -178.9 | -169.4 | -14 | 0 | 0 | 0 | 111.3 | D298 L299 E300 Q304 A305 S306 | D298-D302 PolarHBondContact O-N 3.49Å; L299-D302 CarbonylContact O-C 3.52Å; L299-D302 PolarHBondContact O-N 3.28Å; L299-D302 VanDerWaalsContact O-N 3.14Å; E300-D302 VanDerWaalsContact C-N 3.25Å; E300-D302 PolarHBondContact O-N 3.27Å; D302-Q304 PolarHBondContact O-N 3.43Å; D302-Q304 VanDerWaalsContact O-N 3.15Å; D302-Q304 PolarHBondContact OD1-N 3.36Å; D302-A305 HydrophobicContact CB-CB 3.92Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 PolarHBondContact OD1-N 3.26Å; D302-A305 WeakPolarHBondContact OD2-CB 3.43Å; D302-S306 PolarHBondContact O-N 2.78Å; D302-S306 PolarHBondContact O-OG 3.15Å | ||
| 303 | S | 86.7 | Confident | 87.3 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58 | -28.6 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 113 | Q307 | S303-Q307 WeakPolarHBondContact O-CB 3.38Å; S303-Q307 PolarHBondContact O-N 3.28Å; S303-Q307 VanDerWaalsContact O-N 3.08Å |
| 304 | Q | 89.9 | Confident | 87.6 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.2 | -47.9 | 179.6 | -177 | 64.9 | 42.1 | 0 | 0 | 110.2 | D302 S306 Q307 N308 | D302-Q304 PolarHBondContact O-N 3.43Å; D302-Q304 VanDerWaalsContact O-N 3.15Å; D302-Q304 PolarHBondContact OD1-N 3.36Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3.17Å; Q304-Q307 PolarHBondContact O-N 3.44Å; Q304-N308 PolarHBondContact NE2-OD1 3.49Å; Q304-N308 WeakPolarHBondContact O-CB 3.37Å; Q304-N308 PolarHBondContact O-N 3.44Å; Q304-N308 PolarHBondContact O-ND2 3.48Å; Q304-N308 PolarHBondContact O-OD1 2.91Å |
| 305 | A | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q258 L299 D302 Q307 N308 F309 | Q258-A305 HydrophobicContact CB-CB 4.49Å; Q258-A305 HydrophobicContact CG-CB 3.55Å; L299-A305 HydrophobicContact CD2-CB 3.86Å; D302-A305 HydrophobicContact CB-CB 3.92Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 PolarHBondContact OD1-N 3.26Å; D302-A305 WeakPolarHBondContact OD2-CB 3.43Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 3.46Å; A305-N308 PolarHBondContact O-N 2.83Å; A305-F309 WeakPolarHBondContact O-CB 3.37Å; A305-F309 WeakPolarHBondContact O-CG 3.36Å; A305-F309 PolarHBondContact O-N 3.06Å |
| 306 | S | 88.7 | Confident | 88.6 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -46 | 175.1 | -76.4 | 0 | 0 | 0 | 0 | 112.5 | L299 D302 Q304 S310 | L299-S306 VanDerWaalsContact C-OG 3.26Å; L299-S306 WeakPolarHBondContact CB-OG 3.31Å; L299-S306 PolarHBondContact O-OG 2.9Å; D302-S306 PolarHBondContact O-N 2.78Å; D302-S306 PolarHBondContact O-OG 3.15Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3.17Å; S306-S310 VanDerWaalsContact O-CB 3.23Å; S306-S310 WeakPolarHBondContact O-CB 3.03Å; S306-S310 PolarHBondContact O-N 2.84Å; S306-S310 PolarHBondContact O-OG 3.31Å |
| 307 | Q | 90.7 | Very high | 89.5 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.4 | -40.9 | 179 | -170.2 | 64.9 | 50.5 | 0 | 0 | 112.1 | S303 Q304 A305 S310 N311 | S303-Q307 WeakPolarHBondContact O-CB 3.38Å; S303-Q307 PolarHBondContact O-N 3.28Å; S303-Q307 VanDerWaalsContact O-N 3.08Å; Q304-Q307 PolarHBondContact O-N 3.44Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 3.46Å; Q307-S310 PolarHBondContact O-N 3.09Å; Q307-N311 PolarHBondContact NE2-ND2 3.45Å; Q307-N311 PolarHBondContact NE2-OD1 2.94Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.28Å; Q307-N311 PolarHBondContact O-N 3.27Å; Q307-N311 PolarHBondContact O-ND2 2.9Å |
| 308 | N | 94.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 178.5 | -65.4 | -12.8 | 0 | 0 | 0 | 111.1 | L257 Q258 P261 V264 Q304 A305 N311 F312 | L257-N308 HydrophobicContact CD1-CB 4.17Å; L257-N308 HydrophobicContact CG-CB 4.44Å; L257-N308 VanDerWaalsContact O-CB 3.26Å; L257-N308 WeakPolarHBondContact O-CB 3.46Å; L257-N308 PolarHBondContact O-ND2 3.33Å; Q258-N308 PolarHBondContact O-ND2 2.9Å; P261-N308 WeakPolarHBondContact CA-OD1 3.34Å; P261-N308 WeakPolarHBondContact CB-OD1 3.26Å; V264-N308 HydrophobicContact CG2-CB 4.37Å; Q304-N308 PolarHBondContact NE2-OD1 3.49Å; Q304-N308 WeakPolarHBondContact O-CB 3.37Å; Q304-N308 PolarHBondContact O-N 3.44Å; Q304-N308 PolarHBondContact O-ND2 3.48Å; Q304-N308 PolarHBondContact O-OD1 2.91Å; A305-N308 PolarHBondContact O-N 2.83Å; N308-N311 PolarHBondContact O-N 3.24Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.34Å; N308-F312 PolarHBondContact O-N 3.4Å |
| 309 | F | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 175.5 | -69 | -20.3 | 0 | 0 | 0 | 111.6 | L257 Q258 I291 Y294 L299 A305 N311 F312 L313 | L257-F309 HydrophobicContact CB-CD1 4.41Å; L257-F309 HydrophobicContact CB-CE1 4Å; L257-F309 HydrophobicContact CD2-CD1 3.48Å; L257-F309 VanDerWaalsContact CD2-CD1 3.48Å; L257-F309 HydrophobicContact CD2-CE1 3.79Å; L257-F309 HydrophobicContact CG-CD1 3.66Å; L257-F309 HydrophobicContact CG-CE1 3.77Å; Q258-F309 HydrophobicContact CB-CE1 4.3Å; Q258-F309 HydrophobicContact CB-CZ 3.86Å; Q258-F309 HydrophobicContact CG-CZ 4.33Å; I291-F309 HydrophobicContact CG2-CB 4.41Å; I291-F309 HydrophobicContact CG2-CD1 3.85Å; I291-F309 HydrophobicContact CG2-CE1 4.21Å; I291-F309 HydrophobicContact CG2-CG 4.07Å; Y294-F309 AromaticContact CD1-CE2 3.66Å; Y294-F309 HydrophobicContact CD1-CE2 3.66Å; Y294-F309 AromaticContact CD1-CZ 3.93Å; Y294-F309 HydrophobicContact CD1-CZ 3.93Å; Y294-F309 HydrophobicContact CD2-CE2 4.19Å; Y294-F309 HydrophobicContact CD2-CZ 4.2Å; Y294-F309 HydrophobicContact CE1-CE2 4.17Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.27Å; Y294-F309 AromaticContact CG-CE2 3.67Å; Y294-F309 HydrophobicContact CG-CE2 3.67Å; Y294-F309 HydrophobicContact CG-CZ 4.05Å; L299-F309 HydrophobicContact CD1-CD2 4.01Å; L299-F309 HydrophobicContact CD1-CE2 4.43Å; L299-F309 HydrophobicContact CD2-CD2 3.55Å; L299-F309 HydrophobicContact CD2-CE2 3.6Å; L299-F309 HydrophobicContact CG-CD2 4.44Å; A305-F309 WeakPolarHBondContact O-CB 3.37Å; A305-F309 WeakPolarHBondContact O-CG 3.36Å; A305-F309 PolarHBondContact O-N 3.06Å; F309-N311 PolarHBondContact O-N 2.7Å; F309-F312 PolarHBondContact O-N 3.45Å; F309-L313 WeakPolarHBondContact O-CB 3.23Å; F309-L313 VanDerWaalsContact O-CG 3.23Å; F309-L313 WeakPolarHBondContact O-CG 3.23Å; F309-L313 PolarHBondContact O-N 3.14Å |
| 310 | S | 91.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -49 | 178.1 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | S306 Q307 F312 L313 L314 | S306-S310 VanDerWaalsContact O-CB 3.23Å; S306-S310 WeakPolarHBondContact O-CB 3.03Å; S306-S310 PolarHBondContact O-N 2.84Å; S306-S310 PolarHBondContact O-OG 3.31Å; Q307-S310 PolarHBondContact O-N 3.09Å; S310-F312 PolarHBondContact O-N 2.96Å; S310-L313 PolarHBondContact O-N 2.85Å; S310-L314 WeakPolarHBondContact O-CB 3.34Å; S310-L314 VanDerWaalsContact O-CG 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.24Å; S310-L314 PolarHBondContact O-N 2.92Å |
| 311 | N | 94.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 179.2 | -72.6 | -16.2 | 0 | 0 | 0 | 111.8 | V264 Q307 N308 F309 E315 | V264-N311 HydrophobicContact CG1-CB 4.13Å; V264-N311 HydrophobicContact CG2-CB 4.2Å; Q307-N311 PolarHBondContact NE2-ND2 3.45Å; Q307-N311 PolarHBondContact NE2-OD1 2.94Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.28Å; Q307-N311 PolarHBondContact O-N 3.27Å; Q307-N311 PolarHBondContact O-ND2 2.9Å; N308-N311 PolarHBondContact O-N 3.24Å; F309-N311 PolarHBondContact O-N 2.7Å; N311-E315 WeakPolarHBondContact O-CB 3.32Å; N311-E315 PolarHBondContact O-N 3.16Å |
| 312 | F | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 178.6 | 176.3 | -103.6 | 0 | 0 | 0 | 112.1 | L257 V264 L267 M268 V271 L288 I291 N308 F309 S310 L314 E315 V316 | L257-F312 HydrophobicContact CD1-CB 4.13Å; L257-F312 HydrophobicContact CD1-CG 4.45Å; L257-F312 HydrophobicContact CD2-CB 3.74Å; L257-F312 HydrophobicContact CD2-CD1 3.6Å; L257-F312 HydrophobicContact CD2-CD2 4.39Å; L257-F312 HydrophobicContact CD2-CE1 4.31Å; L257-F312 HydrophobicContact CD2-CG 3.63Å; V264-F312 HydrophobicContact CG1-CB 4.26Å; V264-F312 HydrophobicContact CG2-CB 4.4Å; L267-F312 HydrophobicContact CB-CD2 4.18Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.31Å; L267-F312 HydrophobicContact CD2-CD1 4.42Å; L267-F312 HydrophobicContact CD2-CD2 4.18Å; L267-F312 HydrophobicContact CD2-CE1 3.92Å; L267-F312 HydrophobicContact CD2-CE2 3.67Å; L267-F312 HydrophobicContact CD2-CZ 3.51Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.54Å; L267-F312 HydrophobicContact CG-CZ 3.63Å; M268-F312 HydrophobicContact CG-CD2 3.95Å; M268-F312 HydrophobicContact CG-CE2 3.93Å; M268-F312 HydrophobicContact SD-CD2 4.06Å; M268-F312 HydrophobicContact SD-CE2 3.74Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.95Å; L288-F312 HydrophobicContact CD2-CE1 3.85Å; I291-F312 HydrophobicContact CD1-CD1 3.79Å; I291-F312 HydrophobicContact CD1-CE1 3.4Å; I291-F312 VanDerWaalsContact CD1-CE1 3.4Å; I291-F312 HydrophobicContact CD1-CZ 4.35Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.34Å; N308-F312 PolarHBondContact O-N 3.4Å; F309-F312 PolarHBondContact O-N 3.45Å; S310-F312 PolarHBondContact O-N 2.96Å; F312-L314 VanDerWaalsContact C-N 3.31Å; F312-L314 PolarHBondContact O-N 3.43Å; F312-E315 PolarHBondContact O-N 3.46Å; F312-V316 HydrophobicContact CD1-CG2 4.29Å; F312-V316 HydrophobicContact CD2-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 3.84Å; F312-V316 HydrophobicContact CE2-CG2 3.94Å; F312-V316 HydrophobicContact CZ-CG2 3.65Å; F312-V316 WeakPolarHBondContact O-CG2 3.49Å; F312-V316 PolarHBondContact O-N 2.86Å |
| 313 | L | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 179.1 | -70.2 | 173.5 | 0 | 0 | 0 | 112 | L288 I291 F309 S310 A317 I327 L331 | L288-L313 HydrophobicContact CD2-CD2 4.06Å; I291-L313 HydrophobicContact CG2-CD2 4.31Å; I291-L313 HydrophobicContact CG2-CG 4.47Å; F309-L313 WeakPolarHBondContact O-CB 3.23Å; F309-L313 VanDerWaalsContact O-CG 3.23Å; F309-L313 WeakPolarHBondContact O-CG 3.23Å; F309-L313 PolarHBondContact O-N 3.14Å; S310-L313 PolarHBondContact O-N 2.85Å; L313-A317 VanDerWaalsContact O-CB 3.32Å; L313-A317 WeakPolarHBondContact O-CB 3.29Å; L313-A317 PolarHBondContact O-N 2.76Å; L313-I327 HydrophobicContact CD2-CD1 4.24Å; L313-L331 HydrophobicContact CD1-CD2 4.03Å |
| 314 | L | 95.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 174.5 | -72.1 | 172.8 | 0 | 0 | 0 | 112.2 | S310 F312 A317 R318 G348 V349 | S310-L314 WeakPolarHBondContact O-CB 3.34Å; S310-L314 VanDerWaalsContact O-CG 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.24Å; S310-L314 PolarHBondContact O-N 2.92Å; F312-L314 VanDerWaalsContact C-N 3.31Å; F312-L314 PolarHBondContact O-N 3.43Å; L314-A317 PolarHBondContact O-N 3.12Å; L314-R318 WeakPolarHBondContact O-CG 3.08Å; L314-R318 PolarHBondContact O-N 3.26Å; L314-G348 VanDerWaalsContact CD2-C 3.44Å; L314-V349 HydrophobicContact CD2-CG2 4.1Å |
| 315 | E | 95.7 | Very high | 93.5 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 35% | 0.346 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -69.5 | -38 | 178.2 | -162.9 | 59.7 | -158.8 | 0 | 0 | 112.1 | M268 N311 F312 A317 R318 T319 | M268-E315 HydrophobicContact CE-CB 4.49Å; M268-E315 HydrophobicContact CE-CG 4Å; M268-E315 HydrophobicContact CG-CB 4.09Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.05Å; M268-E315 HydrophobicContact SD-CG 4.03Å; N311-E315 WeakPolarHBondContact O-CB 3.32Å; N311-E315 PolarHBondContact O-N 3.16Å; F312-E315 PolarHBondContact O-N 3.46Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-R318 IonicContact OE2-NH1 3.32Å; E315-R318 PolarHBondContact OE2-NH1 3.48Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.42Å; E315-T319 PolarHBondContact O-OG1 3.35Å |
| 316 | V | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 169.3 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | M268 L288 F312 T319 Y320 L323 | M268-V316 HydrophobicContact CE-CG2 4.43Å; M268-V316 HydrophobicContact SD-CB 4.32Å; M268-V316 HydrophobicContact SD-CG2 3.4Å; M268-V316 WeakPolarHBondContact SD-CG2 3.44Å; L288-V316 HydrophobicContact CD1-CG1 4.11Å; L288-V316 HydrophobicContact CD2-CG1 4.27Å; L288-V316 HydrophobicContact CD2-CG2 4.29Å; F312-V316 HydrophobicContact CD1-CG2 4.29Å; F312-V316 HydrophobicContact CD2-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 3.84Å; F312-V316 HydrophobicContact CE2-CG2 3.94Å; F312-V316 HydrophobicContact CZ-CG2 3.65Å; F312-V316 WeakPolarHBondContact O-CG2 3.49Å; F312-V316 PolarHBondContact O-N 2.86Å; V316-T319 PolarHBondContact O-N 3.01Å; V316-Y320 PolarHBondContact O-N 3.4Å; V316-L323 HydrophobicContact CG1-CD2 4.3Å |
| 317 | A | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L313 L314 E315 P321 A324 V349 E352 | L313-A317 VanDerWaalsContact O-CB 3.32Å; L313-A317 WeakPolarHBondContact O-CB 3.29Å; L313-A317 PolarHBondContact O-N 2.76Å; L314-A317 PolarHBondContact O-N 3.12Å; E315-A317 VanDerWaalsContact C-N 3.33Å; A317-P321 WeakPolarHBondContact O-CA 3.25Å; A317-P321 WeakPolarHBondContact O-CG 3.41Å; A317-A324 HydrophobicContact CB-CB 3.82Å; A317-V349 HydrophobicContact CB-CB 4.32Å; A317-V349 HydrophobicContact CB-CG1 4.12Å; A317-V349 HydrophobicContact CB-CG2 3.99Å; A317-E352 HydrophobicContact CB-CB 4.06Å; A317-E352 HydrophobicContact CB-CG 4.14Å |
| 318 | R | 95.2 | Very high | 93.5 | Very high | 122 Ų | 122 | 29.4 Ų | 29.4 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.1 | -44 | 173.5 | -75.9 | 172.2 | -168.4 | 148.1 | 1.5 | 112.8 | L314 E315 E352 | L314-R318 WeakPolarHBondContact O-CG 3.08Å; L314-R318 PolarHBondContact O-N 3.26Å; E315-R318 IonicContact OE2-NH1 3.32Å; E315-R318 PolarHBondContact OE2-NH1 3.48Å; R318-E352 HydrophobicContact CG-CG 3.77Å; R318-E352 VanDerWaalsContact CG-OE1 3.22Å; R318-E352 WeakPolarHBondContact CG-OE1 3.39Å; R318-E352 WeakPolarHBondContact CG-OE2 3.35Å; R318-E352 IonicContact NE-OE1 3.5Å; R318-E352 PolarHBondContact NE-OE1 2.88Å; R318-E352 VanDerWaalsContact NE-OE1 3.17Å |
| 319 | T | 95.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 27% | 0.27 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -81.4 | -39.3 | -173.4 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | E315 V316 | E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.42Å; E315-T319 PolarHBondContact O-OG1 3.35Å; V316-T319 PolarHBondContact O-N 3.01Å |
| 320 | Y | 95 | Very high | 93 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | trans | -128.9 | 70.4 | -176.6 | -55 | -70.8 | 0 | 0 | 0 | 112.1 | V271 R272 I275 E276 V316 T322 L323 A324 | V271-Y320 HydrophobicContact CG1-CD2 4.36Å; V271-Y320 HydrophobicContact CG1-CE2 4.06Å; R272-Y320 WeakPolarHBondContact CA-OH 3.49Å; R272-Y320 WeakPolarHBondContact CG-OH 3.4Å; I275-Y320 HydrophobicContact CD1-CD1 4.16Å; I275-Y320 HydrophobicContact CD1-CD2 3.91Å; I275-Y320 HydrophobicContact CD1-CE1 4.16Å; I275-Y320 HydrophobicContact CD1-CE2 3.9Å; I275-Y320 HydrophobicContact CD1-CG 4.05Å; I275-Y320 HydrophobicContact CG2-CE1 4.26Å; E276-Y320 PolarHBondContact OE1-OH 2.89Å; V316-Y320 PolarHBondContact O-N 3.4Å; Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 2.87Å; Y320-L323 WeakPolarHBondContact O-CB 3.38Å; Y320-L323 PolarHBondContact O-N 3.46Å; Y320-A324 PolarHBondContact O-N 2.67Å | ||
| 321 | P | 92.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 24% | 0.24 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -34.6 | -176.3 | -27.3 | 35.2 | 0 | 0 | 0 | 115 | A317 L323 A324 Q325 M356 | A317-P321 WeakPolarHBondContact O-CA 3.25Å; A317-P321 WeakPolarHBondContact O-CG 3.41Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.46Å; P321-A324 VanDerWaalsContact O-CB 3.29Å; P321-A324 WeakPolarHBondContact O-CB 3.47Å; P321-A324 PolarHBondContact O-N 2.79Å; P321-Q325 PolarHBondContact O-N 3.17Å; P321-M356 HydrophobicContact CB-CE 4.42Å; P321-M356 HydrophobicContact CB-CG 4.07Å; P321-M356 HydrophobicContact CB-SD 3.33Å; P321-M356 WeakPolarHBondContact CB-SD 3.33Å |
| 322 | T | 90.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.6 | -34.7 | 176.2 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | Y320 M356 | Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 2.87Å; T322-M356 HydrophobicContact CG2-CE 3.67Å |
| 323 | L | 92.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.9 | -43 | 172.7 | -178.3 | 61.4 | 0 | 0 | 0 | 110 | I275 V284 R285 L288 V316 Y320 P321 Q325 S326 I327 | I275-L323 HydrophobicContact CD1-CD2 3.91Å; V284-L323 HydrophobicContact CG1-CD2 3.78Å; R285-L323 HydrophobicContact CG-CD1 3.7Å; L288-L323 HydrophobicContact CD1-CD1 4.22Å; L288-L323 HydrophobicContact CD1-CD2 3.7Å; L288-L323 HydrophobicContact CD1-CG 3.82Å; V316-L323 HydrophobicContact CG1-CD2 4.3Å; Y320-L323 WeakPolarHBondContact O-CB 3.38Å; Y320-L323 PolarHBondContact O-N 3.46Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.46Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.35Å; L323-S326 PolarHBondContact O-N 3.39Å; L323-S326 PolarHBondContact O-OG 3.02Å; L323-I327 PolarHBondContact O-N 2.66Å |
| 324 | A | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A317 Y320 P321 S326 I327 L328 V349 I353 | A317-A324 HydrophobicContact CB-CB 3.82Å; Y320-A324 PolarHBondContact O-N 2.67Å; P321-A324 VanDerWaalsContact O-CB 3.29Å; P321-A324 WeakPolarHBondContact O-CB 3.47Å; P321-A324 PolarHBondContact O-N 2.79Å; A324-S326 PolarHBondContact O-N 2.9Å; A324-I327 WeakPolarHBondContact O-CG1 3.4Å; A324-I327 PolarHBondContact O-N 3.27Å; A324-I327 VanDerWaalsContact O-N 3.12Å; A324-L328 PolarHBondContact O-N 2.75Å; A324-V349 HydrophobicContact CB-CG1 4.41Å; A324-I353 HydrophobicContact CB-CD1 3.86Å; A324-I353 HydrophobicContact CB-CG1 3.83Å |
| 325 | Q | 90.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55 | -37.1 | 175.8 | -170.3 | -167.9 | 7 | 0 | 0 | 112.3 | P321 L323 I353 | P321-Q325 PolarHBondContact O-N 3.17Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.35Å; Q325-I353 HydrophobicContact CB-CG2 4.44Å; Q325-I353 HydrophobicContact CG-CG2 4.47Å |
| 326 | S | 88.8 | Confident | 90.3 | Very high | 44 Ų | 44 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.5 | -22 | -178.1 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | R285 L323 A324 | R285-S326 PolarHBondContact NH1-OG 3.01Å; L323-S326 PolarHBondContact O-N 3.39Å; L323-S326 PolarHBondContact O-OG 3.02Å; A324-S326 PolarHBondContact O-N 2.9Å |
| 327 | I | 89.7 | Confident | 89.6 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -91.5 | -21.6 | 175.1 | 63.2 | 163 | 0 | 0 | 0 | 112.4 | L288 L313 L323 A324 P329 L330 L331 | L288-I327 HydrophobicContact CB-CG2 3.93Å; L288-I327 HydrophobicContact CD1-CD1 4.44Å; L288-I327 HydrophobicContact CD1-CG2 3.92Å; L313-I327 HydrophobicContact CD2-CD1 4.24Å; L323-I327 PolarHBondContact O-N 2.66Å; A324-I327 WeakPolarHBondContact O-CG1 3.4Å; A324-I327 PolarHBondContact O-N 3.27Å; A324-I327 VanDerWaalsContact O-N 3.12Å; I327-P329 VanDerWaalsContact C-N 3.3Å; I327-P329 VanDerWaalsContact O-N 3.14Å; I327-L330 WeakPolarHBondContact O-CA 3.45Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.48Å; I327-L330 PolarHBondContact O-N 2.93Å; I327-L331 HydrophobicContact CD1-CD1 4.18Å; I327-L331 PolarHBondContact O-N 3.39Å |
| 328 | L | 90.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.4 | -42 | -177.4 | -178.3 | 63.6 | 0 | 0 | 0 | 113.8 | A324 L330 L331 R332 V346 V349 I350 I353 L374 | A324-L328 PolarHBondContact O-N 2.75Å; L328-L330 PolarHBondContact O-N 3.1Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L328-L331 PolarHBondContact O-N 2.93Å; L328-R332 WeakPolarHBondContact O-CG 3.17Å; L328-R332 PolarHBondContact O-N 3.28Å; L328-R332 VanDerWaalsContact O-N 3.09Å; L328-V346 HydrophobicContact CD1-CG1 4.12Å; L328-V349 HydrophobicContact CD1-CG1 4.32Å; L328-I350 HydrophobicContact CD1-CG1 3.91Å; L328-I350 HydrophobicContact CD2-CG1 4.35Å; L328-I353 HydrophobicContact CB-CD1 4.14Å; L328-I353 HydrophobicContact CD2-CD1 4.01Å; L328-I353 HydrophobicContact CG-CD1 4.49Å; L328-L374 HydrophobicContact CD2-CD2 3.47Å; L328-L374 VanDerWaalsContact CD2-CD2 3.47Å |
| 329 | P | 89.7 | Confident | 87.8 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56 | -29.4 | 175.5 | -26.9 | 36.4 | 0 | 0 | 0 | 114.9 | I327 | I327-P329 VanDerWaalsContact C-N 3.3Å; I327-P329 VanDerWaalsContact O-N 3.14Å |
| 330 | L | 87.3 | Confident | 87.4 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.8 | -25.7 | 177.1 | -55 | 172.4 | 0 | 0 | 0 | 112.4 | K289 C292 I327 L328 C333 | K289-L330 HydrophobicContact CB-CD1 4.44Å; K289-L330 HydrophobicContact CG-CD1 3.56Å; C292-L330 HydrophobicContact CB-CB 4.22Å; I327-L330 WeakPolarHBondContact O-CA 3.45Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.48Å; I327-L330 PolarHBondContact O-N 2.93Å; L328-L330 PolarHBondContact O-N 3.1Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L330-C333 PolarHBondContact O-SG 3.1Å |
| 331 | L | 89.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -87.4 | -18.4 | 178.9 | -67.7 | 177.9 | 0 | 0 | 0 | 112.7 | C292 L313 I327 L328 C333 R334 V346 V349 | C292-L331 HydrophobicContact CB-CD2 4.39Å; C292-L331 VanDerWaalsContact SG-CD2 3.55Å; L313-L331 HydrophobicContact CD1-CD2 4.03Å; I327-L331 HydrophobicContact CD1-CD1 4.18Å; I327-L331 PolarHBondContact O-N 3.39Å; L328-L331 PolarHBondContact O-N 2.93Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.2Å; L331-R334 VanDerWaalsContact O-CB 3.24Å; L331-R334 WeakPolarHBondContact O-CB 3.43Å; L331-R334 WeakPolarHBondContact O-CG 2.97Å; L331-R334 PolarHBondContact O-N 3.48Å; L331-V346 HydrophobicContact CB-CG1 4.21Å; L331-V346 HydrophobicContact CB-CG2 3.89Å; L331-V349 HydrophobicContact CD1-CG1 4.36Å; L331-V349 HydrophobicContact CD1-CG2 4.26Å |
| 332 | R | 85.7 | Confident | 86.7 | Confident | 120 Ų | 120 | 51.3 Ų | 51.3 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -57.1 | -37.6 | -174.5 | -75.1 | -176.9 | 73.9 | 165 | 4.3 | 113.8 | L328 R334 L335 | L328-R332 WeakPolarHBondContact O-CG 3.17Å; L328-R332 PolarHBondContact O-N 3.28Å; L328-R332 VanDerWaalsContact O-N 3.09Å; R332-R334 PolarHBondContact O-N 3.03Å; R332-R334 VanDerWaalsContact O-N 3.16Å; R332-L335 WeakPolarHBondContact O-CB 3.49Å; R332-L335 PolarHBondContact O-N 2.66Å; R332-L335 VanDerWaalsContact O-N 3.16Å |
| 333 | C | 83.9 | Confident | 86.7 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 51% | 0.507 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -62.9 | -18.7 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | L330 L331 L335 D336 | L330-C333 PolarHBondContact O-SG 3.1Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.2Å; C333-L335 VanDerWaalsContact C-N 3.33Å; C333-D336 PolarHBondContact O-N 3.31Å |
| 334 | R | 84.7 | Confident | 86.7 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -79.2 | -15.1 | 178.7 | -47 | -60.8 | 179 | 155.8 | 6.1 | 113.3 | C292 Y294 L331 R332 D336 E337 M342 V346 | C292-R334 PolarHBondContact O-NH2 2.88Å; Y294-R334 VanDerWaalsContact O-CZ 3.28Å; Y294-R334 PolarHBondContact O-NH1 3.34Å; Y294-R334 VanDerWaalsContact O-NH1 3.12Å; Y294-R334 PolarHBondContact O-NH2 2.75Å; L331-R334 VanDerWaalsContact O-CB 3.24Å; L331-R334 WeakPolarHBondContact O-CB 3.43Å; L331-R334 WeakPolarHBondContact O-CG 2.97Å; L331-R334 PolarHBondContact O-N 3.48Å; R332-R334 PolarHBondContact O-N 3.03Å; R332-R334 VanDerWaalsContact O-N 3.16Å; R334-D336 PolarHBondContact O-N 3.21Å; R334-E337 WeakPolarHBondContact CD-OE1 3.26Å; R334-E337 VanDerWaalsContact CD-OE2 3.26Å; R334-E337 WeakPolarHBondContact CD-OE2 3.42Å; R334-E337 IonicContact CZ-OE1 3.45Å; R334-E337 IonicContact NE-OE1 3.12Å; R334-E337 IonicContact NH1-OE1 3.42Å; R334-E337 PolarHBondContact NH1-OE1 3.44Å; R334-E337 IonicContact NH1-OE2 2.78Å; R334-E337 PolarHBondContact O-N 3.39Å; R334-M342 HydrophobicContact CG-CE 4.4Å; R334-V346 HydrophobicContact CB-CG2 3.84Å |
| 335 | L | 86.9 | Confident | 86.7 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -68.8 | -22.4 | 172.1 | -70.4 | 172.4 | 0 | 0 | 0 | 111.9 | R332 C333 R343 V346 L347 I350 L377 | R332-L335 WeakPolarHBondContact O-CB 3.49Å; R332-L335 PolarHBondContact O-N 2.66Å; R332-L335 VanDerWaalsContact O-N 3.16Å; C333-L335 VanDerWaalsContact C-N 3.33Å; L335-R343 WeakPolarHBondContact O-CD 3.38Å; L335-V346 HydrophobicContact CD1-CG1 3.99Å; L335-V346 HydrophobicContact CD2-CB 3.65Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.03Å; L335-V346 HydrophobicContact CG-CG1 3.69Å; L335-L347 HydrophobicContact CD2-CD2 4.17Å; L335-L347 HydrophobicContact CD2-CG 4.15Å; L335-I350 HydrophobicContact CD1-CD1 4.22Å; L335-L377 HydrophobicContact CD1-CD1 4.35Å; L335-L377 HydrophobicContact CD1-CD2 4.25Å |
| 336 | D | 82.4 | Confident | 86.9 | Confident | 141 Ų | 141 | 46 Ų | 46 | 75% | 0.754 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -93 | -1.2 | 178.7 | -56.9 | -43.4 | 0 | 0 | 0 | 112.8 | C333 R334 | C333-D336 PolarHBondContact O-N 3.31Å; R334-D336 PolarHBondContact O-N 3.21Å |
| 337 | E | 81.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -83.3 | 147.5 | -179.1 | -68.7 | -178.4 | 167.5 | 0 | 0 | 111.8 | G296 R334 R343 | G296-E337 WeakPolarHBondContact CA-OE1 3.45Å; R334-E337 WeakPolarHBondContact CD-OE1 3.26Å; R334-E337 VanDerWaalsContact CD-OE2 3.26Å; R334-E337 WeakPolarHBondContact CD-OE2 3.42Å; R334-E337 IonicContact CZ-OE1 3.45Å; R334-E337 IonicContact NE-OE1 3.12Å; R334-E337 IonicContact NH1-OE1 3.42Å; R334-E337 PolarHBondContact NH1-OE1 3.44Å; R334-E337 IonicContact NH1-OE2 2.78Å; R334-E337 PolarHBondContact O-N 3.39Å; E337-R343 WeakPolarHBondContact O-CD 3.41Å; E337-R343 WeakPolarHBondContact O-CG 3.49Å; E337-R343 PolarHBondContact O-NH1 3.16Å |
| 338 | E | 76.5 | Confident | 87.5 | Confident | 152 Ų | 152 | 43.9 Ų | 43.9 | 71% | 0.71 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -60.4 | -38.3 | -179.5 | -67 | -63.8 | 147.5 | 0 | 0 | 115.3 | Y340 R343 | E338-Y340 PolarHBondContact O-N 3.16Å; E338-R343 PolarHBondContact O-NH1 3.42Å |
| 339 | P | 78.4 | Confident | 87.8 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | trans | -69.4 | 116.8 | -179.7 | -20.7 | 34.8 | 0 | 0 | 0 | 112.3 | E300 Q341 M342 R343 | E300-P339 HydrophobicContact CB-CG 3.86Å; E300-P339 HydrophobicContact CG-CG 3.88Å; P339-Q341 PolarHBondContact O-N 3.21Å; P339-M342 PolarHBondContact O-N 2.82Å; P339-R343 PolarHBondContact O-N 3.41Å | ||
| 340 | Y | 85.7 | Confident | 88.1 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -24.7 | -177.5 | 75 | -93.1 | 0 | 0 | 0 | 113.4 | E338 R343 N344 N386 Y388 | E338-Y340 PolarHBondContact O-N 3.16Å; Y340-R343 PolarHBondContact O-N 3.43Å; Y340-N344 VanDerWaalsContact O-CB 3.26Å; Y340-N344 WeakPolarHBondContact O-CB 3.41Å; Y340-N344 PolarHBondContact O-N 2.98Å; Y340-N386 WeakPolarHBondContact CD1-ND2 3.41Å; Y340-Y388 HydrophobicContact CD2-CG 4.5Å; Y340-Y388 HydrophobicContact CE2-CD2 4.17Å; Y340-Y388 HydrophobicContact CE2-CG 4.21Å |
| 341 | Q | 86.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 179.9 | -62.2 | 84.7 | -11.9 | 0 | 0 | 111.2 | P339 N344 C345 | P339-Q341 PolarHBondContact O-N 3.21Å; Q341-N344 PolarHBondContact O-N 3.16Å; Q341-C345 WeakPolarHBondContact O-CB 3.34Å; Q341-C345 PolarHBondContact O-N 2.85Å |
| 342 | M | 86.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -42.2 | 176.9 | -70.7 | -56.1 | -63.7 | 0 | 0 | 110.9 | L299 R334 P339 N344 C345 V346 | L299-M342 HydrophobicContact CD1-CE 4.46Å; L299-M342 HydrophobicContact CD1-SD 4.49Å; R334-M342 HydrophobicContact CG-CE 4.4Å; P339-M342 PolarHBondContact O-N 2.82Å; M342-N344 VanDerWaalsContact C-N 3.33Å; M342-N344 PolarHBondContact O-N 3.09Å; M342-C345 WeakPolarHBondContact O-CB 3.42Å; M342-C345 PolarHBondContact O-N 3.39Å; M342-C345 VanDerWaalsContact O-N 3.16Å; M342-V346 WeakPolarHBondContact O-CG2 3.22Å; M342-V346 PolarHBondContact O-N 3.41Å |
| 343 | R | 91.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 171.6 | -59.9 | -154.1 | -66 | -85.4 | 5.5 | 111.4 | L335 E337 E338 P339 Y340 C345 V346 L347 D384 V389 | L335-R343 WeakPolarHBondContact O-CD 3.38Å; E337-R343 WeakPolarHBondContact O-CD 3.41Å; E337-R343 WeakPolarHBondContact O-CG 3.49Å; E337-R343 PolarHBondContact O-NH1 3.16Å; E338-R343 PolarHBondContact O-NH1 3.42Å; P339-R343 PolarHBondContact O-N 3.41Å; Y340-R343 PolarHBondContact O-N 3.43Å; R343-C345 VanDerWaalsContact C-N 3.33Å; R343-C345 PolarHBondContact O-N 3.31Å; R343-V346 PolarHBondContact O-N 3.18Å; R343-V346 VanDerWaalsContact O-N 3.16Å; R343-L347 WeakPolarHBondContact O-CG 3.48Å; R343-L347 PolarHBondContact O-N 2.84Å; R343-D384 IonicContact CZ-OD1 3.76Å; R343-D384 IonicContact CZ-OD2 3.51Å; R343-D384 IonicContact NE-OD1 2.96Å; R343-D384 IonicContact NE-OD2 3.85Å; R343-D384 PolarHBondContact NE-OD2 3.04Å; R343-D384 IonicContact NH2-OD1 3.76Å; R343-D384 PolarHBondContact NH2-OD1 2.8Å; R343-D384 IonicContact NH2-OD2 2.9Å; R343-V389 HydrophobicContact CB-CG1 4.41Å; R343-V389 HydrophobicContact CB-CG2 4.37Å |
| 344 | N | 92.2 | Very high | 89.5 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 177 | -82.2 | -8.2 | 0 | 0 | 0 | 113.4 | Y340 Q341 M342 G348 V389 K392 | Y340-N344 VanDerWaalsContact O-CB 3.26Å; Y340-N344 WeakPolarHBondContact O-CB 3.41Å; Y340-N344 PolarHBondContact O-N 2.98Å; Q341-N344 PolarHBondContact O-N 3.16Å; M342-N344 VanDerWaalsContact C-N 3.33Å; M342-N344 PolarHBondContact O-N 3.09Å; N344-G348 PolarHBondContact O-N 2.98Å; N344-V389 VanDerWaalsContact OD1-CA 3.28Å; N344-V389 WeakPolarHBondContact OD1-CA 3.39Å; N344-K392 HydrophobicContact CB-CG 4.43Å; N344-K392 WeakPolarHBondContact OD1-CB 3.29Å |
| 345 | C | 92.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -51.4 | 171.2 | 177 | 0 | 0 | 0 | 0 | 110.1 | Q341 M342 R343 L347 G348 V349 | Q341-C345 WeakPolarHBondContact O-CB 3.34Å; Q341-C345 PolarHBondContact O-N 2.85Å; M342-C345 WeakPolarHBondContact O-CB 3.42Å; M342-C345 PolarHBondContact O-N 3.39Å; M342-C345 VanDerWaalsContact O-N 3.16Å; R343-C345 VanDerWaalsContact C-N 3.33Å; R343-C345 PolarHBondContact O-N 3.31Å; C345-L347 PolarHBondContact O-N 3.14Å; C345-G348 PolarHBondContact O-N 3.49Å; C345-G348 VanDerWaalsContact O-N 3.14Å; C345-V349 WeakPolarHBondContact O-CG2 3.37Å; C345-V349 PolarHBondContact O-N 2.85Å |
| 346 | V | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | L328 L331 R334 L335 M342 R343 G348 V349 I350 | L328-V346 HydrophobicContact CD1-CG1 4.12Å; L331-V346 HydrophobicContact CB-CG1 4.21Å; L331-V346 HydrophobicContact CB-CG2 3.89Å; R334-V346 HydrophobicContact CB-CG2 3.84Å; L335-V346 HydrophobicContact CD1-CG1 3.99Å; L335-V346 HydrophobicContact CD2-CB 3.65Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.03Å; L335-V346 HydrophobicContact CG-CG1 3.69Å; M342-V346 WeakPolarHBondContact O-CG2 3.22Å; M342-V346 PolarHBondContact O-N 3.41Å; R343-V346 PolarHBondContact O-N 3.18Å; R343-V346 VanDerWaalsContact O-N 3.16Å; V346-G348 VanDerWaalsContact C-N 3.29Å; V346-G348 PolarHBondContact O-N 3.48Å; V346-V349 PolarHBondContact O-N 2.97Å; V346-I350 HydrophobicContact CG1-CD1 4.24Å; V346-I350 WeakPolarHBondContact O-CG1 3.4Å; V346-I350 PolarHBondContact O-N 2.86Å |
| 347 | L | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 172 | -72.5 | -178.4 | 0 | 0 | 0 | 111.4 | L335 R343 C345 V349 I350 G351 L378 H381 V389 K392 A393 I396 | L335-L347 HydrophobicContact CD2-CD2 4.17Å; L335-L347 HydrophobicContact CD2-CG 4.15Å; R343-L347 WeakPolarHBondContact O-CG 3.48Å; R343-L347 PolarHBondContact O-N 2.84Å; C345-L347 PolarHBondContact O-N 3.14Å; L347-V349 PolarHBondContact O-N 2.88Å; L347-I350 HydrophobicContact CD2-CD1 4.44Å; L347-I350 CarbonylContact O-C 3.17Å; L347-I350 WeakPolarHBondContact O-CB 3.49Å; L347-I350 PolarHBondContact O-N 3.19Å; L347-G351 PolarHBondContact O-N 3.25Å; L347-L378 HydrophobicContact CD2-CD1 4.09Å; L347-H381 HydrophobicContact CD1-CB 3.97Å; L347-H381 HydrophobicContact CD2-CB 4.14Å; L347-V389 HydrophobicContact CD1-CG1 3.49Å; L347-V389 VanDerWaalsContact CD1-CG1 3.49Å; L347-K392 HydrophobicContact CB-CG 4.3Å; L347-A393 HydrophobicContact CD1-CB 4.33Å; L347-I396 HydrophobicContact CB-CD1 3.94Å; L347-I396 WeakPolarHBondContact O-CD1 3.43Å |
| 348 | G | 96.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L314 N344 C345 V346 I350 G351 E352 | L314-G348 VanDerWaalsContact CD2-C 3.44Å; N344-G348 PolarHBondContact O-N 2.98Å; C345-G348 PolarHBondContact O-N 3.49Å; C345-G348 VanDerWaalsContact O-N 3.14Å; V346-G348 VanDerWaalsContact C-N 3.29Å; V346-G348 PolarHBondContact O-N 3.48Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 3.06Å; G348-G351 CarbonylContact O-C 3.48Å; G348-G351 WeakPolarHBondContact O-CA 3.43Å; G348-G351 PolarHBondContact O-N 3.29Å; G348-E352 WeakPolarHBondContact O-CG 3.45Å; G348-E352 PolarHBondContact O-N 3.17Å |
| 349 | V | 96.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 111 | L314 A317 A324 L328 L331 C345 V346 L347 G351 E352 I353 | L314-V349 HydrophobicContact CD2-CG2 4.1Å; A317-V349 HydrophobicContact CB-CB 4.32Å; A317-V349 HydrophobicContact CB-CG1 4.12Å; A317-V349 HydrophobicContact CB-CG2 3.99Å; A324-V349 HydrophobicContact CB-CG1 4.41Å; L328-V349 HydrophobicContact CD1-CG1 4.32Å; L331-V349 HydrophobicContact CD1-CG1 4.36Å; L331-V349 HydrophobicContact CD1-CG2 4.26Å; C345-V349 WeakPolarHBondContact O-CG2 3.37Å; C345-V349 PolarHBondContact O-N 2.85Å; V346-V349 PolarHBondContact O-N 2.97Å; L347-V349 PolarHBondContact O-N 2.88Å; V349-G351 VanDerWaalsContact C-N 3.28Å; V349-G351 PolarHBondContact O-N 3.24Å; V349-E352 PolarHBondContact O-N 2.81Å; V349-I353 HydrophobicContact CG1-CD1 3.59Å; V349-I353 HydrophobicContact CG1-CG1 4.47Å; V349-I353 WeakPolarHBondContact O-CD1 3.32Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.16Å; V349-I353 PolarHBondContact O-N 3.01Å |
| 350 | I | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -43 | 172 | -68.5 | 169.4 | 0 | 0 | 0 | 110.2 | L328 L335 V346 L347 G348 E352 I353 L354 L374 L377 | L328-I350 HydrophobicContact CD1-CG1 3.91Å; L328-I350 HydrophobicContact CD2-CG1 4.35Å; L335-I350 HydrophobicContact CD1-CD1 4.22Å; V346-I350 HydrophobicContact CG1-CD1 4.24Å; V346-I350 WeakPolarHBondContact O-CG1 3.4Å; V346-I350 PolarHBondContact O-N 2.86Å; L347-I350 HydrophobicContact CD2-CD1 4.44Å; L347-I350 CarbonylContact O-C 3.17Å; L347-I350 WeakPolarHBondContact O-CB 3.49Å; L347-I350 PolarHBondContact O-N 3.19Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 3.06Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.36Å; I350-I353 PolarHBondContact O-N 3.2Å; I350-L354 WeakPolarHBondContact O-CB 3.47Å; I350-L354 PolarHBondContact O-N 2.93Å; I350-L374 HydrophobicContact CG1-CD2 4.27Å; I350-L374 HydrophobicContact CG2-CB 4.19Å; I350-L374 HydrophobicContact CG2-CD2 4.31Å; I350-L377 HydrophobicContact CD1-CB 4.41Å; I350-L377 HydrophobicContact CD1-CD1 4.24Å |
| 351 | G | 94.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -29.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L347 G348 V349 P355 | L347-G351 PolarHBondContact O-N 3.25Å; G348-G351 CarbonylContact O-C 3.48Å; G348-G351 WeakPolarHBondContact O-CA 3.43Å; G348-G351 PolarHBondContact O-N 3.29Å; V349-G351 VanDerWaalsContact C-N 3.28Å; V349-G351 PolarHBondContact O-N 3.24Å; G351-P355 WeakPolarHBondContact O-CD 3.45Å; G351-P355 WeakPolarHBondContact O-CG 3.43Å |
| 352 | E | 94.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -82.6 | -30.2 | 174.4 | -57.5 | -59.2 | 165.4 | 0 | 0 | 112.4 | A317 R318 G348 V349 I350 | A317-E352 HydrophobicContact CB-CB 4.06Å; A317-E352 HydrophobicContact CB-CG 4.14Å; R318-E352 HydrophobicContact CG-CG 3.77Å; R318-E352 VanDerWaalsContact CG-OE1 3.22Å; R318-E352 WeakPolarHBondContact CG-OE1 3.39Å; R318-E352 WeakPolarHBondContact CG-OE2 3.35Å; R318-E352 IonicContact NE-OE1 3.5Å; R318-E352 PolarHBondContact NE-OE1 2.88Å; R318-E352 VanDerWaalsContact NE-OE1 3.17Å; G348-E352 WeakPolarHBondContact O-CG 3.45Å; G348-E352 PolarHBondContact O-N 3.17Å; V349-E352 PolarHBondContact O-N 2.81Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.36Å |
| 353 | I | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.9 | -41.3 | 179.8 | -68.6 | 163.2 | 0 | 0 | 0 | 111.7 | A324 Q325 L328 V349 I350 P355 M356 F357 L374 | A324-I353 HydrophobicContact CB-CD1 3.86Å; A324-I353 HydrophobicContact CB-CG1 3.83Å; Q325-I353 HydrophobicContact CB-CG2 4.44Å; Q325-I353 HydrophobicContact CG-CG2 4.47Å; L328-I353 HydrophobicContact CB-CD1 4.14Å; L328-I353 HydrophobicContact CD2-CD1 4.01Å; L328-I353 HydrophobicContact CG-CD1 4.49Å; V349-I353 HydrophobicContact CG1-CD1 3.59Å; V349-I353 HydrophobicContact CG1-CG1 4.47Å; V349-I353 WeakPolarHBondContact O-CD1 3.32Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.16Å; V349-I353 PolarHBondContact O-N 3.01Å; I350-I353 PolarHBondContact O-N 3.2Å; I353-P355 VanDerWaalsContact C-CD 3.49Å; I353-M356 WeakPolarHBondContact O-CB 3.41Å; I353-M356 WeakPolarHBondContact O-CG 3.43Å; I353-M356 PolarHBondContact O-N 3.16Å; I353-F357 HydrophobicContact CG2-CD2 4.47Å; I353-F357 HydrophobicContact CG2-CE2 3.68Å; I353-L374 HydrophobicContact CG2-CD1 3.9Å |
| 354 | L | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39.6 | -172 | -176.1 | 57.5 | 0 | 0 | 0 | 113.8 | I350 M356 F357 A358 R371 L374 M375 L378 I400 | I350-L354 WeakPolarHBondContact O-CB 3.47Å; I350-L354 PolarHBondContact O-N 2.93Å; L354-M356 PolarHBondContact O-N 3.12Å; L354-M356 VanDerWaalsContact O-N 3.13Å; L354-F357 PolarHBondContact O-N 2.74Å; L354-A358 WeakPolarHBondContact O-CB 3.34Å; L354-A358 PolarHBondContact O-N 3.42Å; L354-R371 HydrophobicContact CD1-CG 4.07Å; L354-L374 HydrophobicContact CD1-CB 3.94Å; L354-L374 HydrophobicContact CD1-CD1 4.29Å; L354-M375 HydrophobicContact CD1-CE 4.14Å; L354-M375 HydrophobicContact CD1-CG 4.08Å; L354-M375 HydrophobicContact CD2-CE 4.47Å; L354-M375 HydrophobicContact CD2-CG 4.01Å; L354-L378 HydrophobicContact CD2-CD2 4.38Å; L354-I400 HydrophobicContact CB-CD1 4.09Å; L354-I400 HydrophobicContact CD2-CD1 3.78Å; L354-I400 HydrophobicContact CD2-CG1 3.81Å; L354-I400 HydrophobicContact CG-CD1 3.71Å; L354-I400 HydrophobicContact CG-CG1 4.31Å |
| 355 | P | 90 | Very high | 86.8 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.8 | -27.7 | 174 | -29.2 | 36.8 | 0 | 0 | 0 | 114.8 | G351 I353 F357 A358 I400 L403 | G351-P355 WeakPolarHBondContact O-CD 3.45Å; G351-P355 WeakPolarHBondContact O-CG 3.43Å; I353-P355 VanDerWaalsContact C-CD 3.49Å; P355-F357 PolarHBondContact O-N 3.35Å; P355-A358 PolarHBondContact O-N 3.46Å; P355-I400 HydrophobicContact CG-CD1 4.05Å; P355-L403 HydrophobicContact CB-CD1 4.27Å; P355-L403 HydrophobicContact CG-CD1 4.16Å |
| 356 | M | 88.3 | Confident | 86.4 | Confident | 56 Ų | 56 | 57 Ų | 57 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -26.5 | 175.7 | -60.2 | 173.6 | 64.5 | 0 | 0 | 112.8 | P321 T322 I353 L354 R360 | P321-M356 HydrophobicContact CB-CE 4.42Å; P321-M356 HydrophobicContact CB-CG 4.07Å; P321-M356 HydrophobicContact CB-SD 3.33Å; P321-M356 WeakPolarHBondContact CB-SD 3.33Å; T322-M356 HydrophobicContact CG2-CE 3.67Å; I353-M356 WeakPolarHBondContact O-CB 3.41Å; I353-M356 WeakPolarHBondContact O-CG 3.43Å; I353-M356 PolarHBondContact O-N 3.16Å; L354-M356 PolarHBondContact O-N 3.12Å; L354-M356 VanDerWaalsContact O-N 3.13Å; M356-R360 VanDerWaalsContact O-CD 3.23Å; M356-R360 WeakPolarHBondContact O-CD 3.4Å |
| 357 | F | 85.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -108.4 | -27.4 | 179.6 | -48.5 | -72.4 | 0 | 0 | 0 | 112.7 | I353 L354 P355 K359 L363 E367 Q370 R371 L374 | I353-F357 HydrophobicContact CG2-CD2 4.47Å; I353-F357 HydrophobicContact CG2-CE2 3.68Å; L354-F357 PolarHBondContact O-N 2.74Å; P355-F357 PolarHBondContact O-N 3.35Å; F357-K359 PolarHBondContact O-N 2.93Å; F357-L363 HydrophobicContact CB-CD2 4.32Å; F357-L363 HydrophobicContact CD1-CD2 4.32Å; F357-L363 WeakPolarHBondContact O-CD1 3.42Å; F357-E367 HydrophobicContact CD1-CB 4.01Å; F357-E367 HydrophobicContact CD1-CG 4.45Å; F357-E367 HydrophobicContact CE1-CB 4.25Å; F357-E367 HydrophobicContact CE1-CG 4.28Å; F357-Q370 HydrophobicContact CE2-CG 4.23Å; F357-Q370 HydrophobicContact CZ-CG 4.29Å; F357-R371 HydrophobicContact CB-CB 3.73Å; F357-R371 HydrophobicContact CB-CG 3.94Å; F357-R371 HydrophobicContact CG-CB 4.41Å; F357-L374 HydrophobicContact CD2-CD1 4.26Å; F357-L374 HydrophobicContact CE2-CD1 4.2Å |
| 358 | A | 80.5 | Confident | 85.6 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L354 P355 M375 I400 | L354-A358 WeakPolarHBondContact O-CB 3.34Å; L354-A358 PolarHBondContact O-N 3.42Å; P355-A358 PolarHBondContact O-N 3.46Å; A358-M375 HydrophobicContact CB-CE 4.47Å; A358-I400 HydrophobicContact CB-CD1 4.23Å; A358-I400 HydrophobicContact CB-CG2 4.45Å |
| 359 | K | 72 | Confident | 85.2 | Confident | 167 Ų | 167 | 68.4 Ų | 68.4 | 73% | 0.726 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -82.2 | -17.6 | -175.3 | -169.3 | 174 | 179.2 | 176.5 | 0 | 114.6 | F357 E361 | F357-K359 PolarHBondContact O-N 2.93Å; K359-E361 PolarHBondContact O-N 3Å |
| 360 | R | 76 | Confident | 84.9 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | trans | -82.7 | 119.7 | -169.9 | -71.6 | 171 | 61.2 | -160.2 | -10.8 | 111 | M356 L363 E367 | M356-R360 VanDerWaalsContact O-CD 3.23Å; M356-R360 WeakPolarHBondContact O-CD 3.4Å; R360-L363 HydrophobicContact CB-CD2 3.79Å; R360-L363 HydrophobicContact CB-CG 4.14Å; R360-E367 IonicContact CZ-OE1 2.64Å; R360-E367 IonicContact CZ-OE2 3.53Å; R360-E367 IonicContact NH1-OE1 3.68Å; R360-E367 PolarHBondContact NH1-OE1 2.92Å; R360-E367 IonicContact NH1-OE2 3.03Å; R360-E367 PolarHBondContact NH1-OE2 2.94Å; R360-E367 IonicContact NH2-OE1 2.65Å; R360-E367 PolarHBondContact NH2-OE1 3.41Å; R360-E367 IonicContact NH2-OE2 3.04Å; R360-E367 PolarHBondContact NH2-OE2 3.3Å | ||
| 361 | E | 65.2 | Low | 84.7 | Confident | 192 Ų | 192 | 71.9 Ų | 71.9 | 90% | 0.897 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.4 | -40.2 | 176.6 | -65.1 | -176.8 | 170.6 | 0 | 0 | 112.4 | K359 | K359-E361 PolarHBondContact O-N 3Š|
| 362 | Q | 73.4 | Confident | 84.4 | Confident | 169 Ų | 169 | 73.1 Ų | 73.1 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -106.1 | 91.3 | -178.5 | -67.2 | 167.5 | 8.2 | 0 | 0 | 109.5 | ||
| 363 | L | 78.2 | Confident | 84.3 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | trans | -101 | 139.4 | 172 | -69.4 | 167.6 | 0 | 0 | 0 | 109.6 | F357 R360 E367 R368 | F357-L363 HydrophobicContact CB-CD2 4.32Å; F357-L363 HydrophobicContact CD1-CD2 4.32Å; F357-L363 WeakPolarHBondContact O-CD1 3.42Å; R360-L363 HydrophobicContact CB-CD2 3.79Å; R360-L363 HydrophobicContact CB-CG 4.14Å; L363-E367 HydrophobicContact CB-CB 4.2Å; L363-E367 HydrophobicContact CD2-CB 3.91Å; L363-R368 HydrophobicContact CB-CB 4.28Å | ||
| 364 | D | 84 | Confident | 84.3 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | trans | -62.5 | 153 | 168.1 | -69.5 | -38.1 | 0 | 0 | 0 | 110 | N366 E367 R368 | D364-N366 PolarHBondContact O-N 3.36Å; D364-E367 HydrophobicContact CB-CG 4.28Å; D364-E367 PolarHBondContact N-OE2 3.49Å; D364-E367 PolarHBondContact O-N 2.72Å; D364-R368 PolarHBondContact O-N 3.38Å | ||
| 365 | P | 82.2 | Confident | 84.4 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -51.8 | -36.4 | -178.2 | -29 | 35 | 0 | 0 | 0 | 114 | V369 | P365-V369 VanDerWaalsContact O-CG2 3.31Å; P365-V369 WeakPolarHBondContact O-CG2 3.38Å; P365-V369 PolarHBondContact O-N 3Å; P365-V369 VanDerWaalsContact O-N 3.11Å |
| 366 | N | 86 | Confident | 84.6 | Confident | 137 Ų | 137 | 79.1 Ų | 79.1 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | 177.7 | -70.7 | -20.4 | 0 | 0 | 0 | 112.7 | D364 R368 V369 Q370 | D364-N366 PolarHBondContact O-N 3.36Å; N366-R368 VanDerWaalsContact C-N 3.34Å; N366-V369 PolarHBondContact O-N 3.4Å; N366-Q370 PolarHBondContact O-N 2.9Å |
| 367 | E | 87.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 177.2 | -63.1 | -176.3 | 127.7 | 0 | 0 | 110.9 | F357 R360 L363 D364 Q370 R371 | F357-E367 HydrophobicContact CD1-CB 4.01Å; F357-E367 HydrophobicContact CD1-CG 4.45Å; F357-E367 HydrophobicContact CE1-CB 4.25Å; F357-E367 HydrophobicContact CE1-CG 4.28Å; R360-E367 IonicContact CZ-OE1 2.64Å; R360-E367 IonicContact CZ-OE2 3.53Å; R360-E367 IonicContact NH1-OE1 3.68Å; R360-E367 PolarHBondContact NH1-OE1 2.92Å; R360-E367 IonicContact NH1-OE2 3.03Å; R360-E367 PolarHBondContact NH1-OE2 2.94Å; R360-E367 IonicContact NH2-OE1 2.65Å; R360-E367 PolarHBondContact NH2-OE1 3.41Å; R360-E367 IonicContact NH2-OE2 3.04Å; R360-E367 PolarHBondContact NH2-OE2 3.3Å; L363-E367 HydrophobicContact CB-CB 4.2Å; L363-E367 HydrophobicContact CD2-CB 3.91Å; D364-E367 HydrophobicContact CB-CG 4.28Å; D364-E367 PolarHBondContact N-OE2 3.49Å; D364-E367 PolarHBondContact O-N 2.72Å; E367-Q370 WeakPolarHBondContact O-CB 3.28Å; E367-Q370 PolarHBondContact O-N 2.61Å; E367-R371 PolarHBondContact O-N 3.28Å |
| 368 | R | 84.9 | Confident | 85.3 | Confident | 134 Ų | 134 | 77.5 Ų | 77.5 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.4 | -172.5 | 176.4 | -179.5 | 138.1 | -0.9 | 111.8 | L363 D364 N366 Q370 R371 D372 | L363-R368 HydrophobicContact CB-CB 4.28Å; D364-R368 PolarHBondContact O-N 3.38Å; N366-R368 VanDerWaalsContact C-N 3.34Å; R368-Q370 VanDerWaalsContact C-N 3.29Å; R368-Q370 PolarHBondContact O-N 2.7Å; R368-R371 PolarHBondContact O-N 2.93Å; R368-D372 WeakPolarHBondContact O-CB 3.49Å; R368-D372 VanDerWaalsContact O-CG 3.32Å; R368-D372 PolarHBondContact O-N 3.45Å |
| 369 | V | 88.8 | Confident | 86 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | P365 N366 R373 | P365-V369 VanDerWaalsContact O-CG2 3.31Å; P365-V369 WeakPolarHBondContact O-CG2 3.38Å; P365-V369 PolarHBondContact O-N 3Å; P365-V369 VanDerWaalsContact O-N 3.11Å; N366-V369 PolarHBondContact O-N 3.4Å; V369-R373 HydrophobicContact CG1-CG 4.48Å; V369-R373 WeakPolarHBondContact O-CB 3.35Å; V369-R373 VanDerWaalsContact O-CG 3.26Å; V369-R373 WeakPolarHBondContact O-CG 3.4Å; V369-R373 PolarHBondContact O-N 3.1Å |
| 370 | Q | 89.3 | Confident | 87.1 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -49.3 | 176.6 | -179.1 | 164.8 | 15 | 0 | 0 | 111.9 | F357 N366 E367 R368 D372 R373 L374 | F357-Q370 HydrophobicContact CE2-CG 4.23Å; F357-Q370 HydrophobicContact CZ-CG 4.29Å; N366-Q370 PolarHBondContact O-N 2.9Å; E367-Q370 WeakPolarHBondContact O-CB 3.28Å; E367-Q370 PolarHBondContact O-N 2.61Å; R368-Q370 VanDerWaalsContact C-N 3.29Å; R368-Q370 PolarHBondContact O-N 2.7Å; Q370-D372 VanDerWaalsContact C-N 3.28Å; Q370-D372 PolarHBondContact O-N 2.97Å; Q370-R373 PolarHBondContact O-N 3.27Å; Q370-L374 HydrophobicContact CG-CD1 4.27Å; Q370-L374 HydrophobicContact CG-CG 4.48Å; Q370-L374 WeakPolarHBondContact O-CG 3.4Å; Q370-L374 PolarHBondContact O-N 3.09Å |
| 371 | R | 90.5 | Very high | 88 | Confident | 20 Ų | 20 | 73 Ų | 73 | 8% | 0.075 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -51.7 | -50.1 | 174.5 | -177.1 | -159.9 | 65.6 | -166.4 | -1 | 111.1 | L354 F357 E367 R368 R373 L374 M375 | L354-R371 HydrophobicContact CD1-CG 4.07Å; F357-R371 HydrophobicContact CB-CB 3.73Å; F357-R371 HydrophobicContact CB-CG 3.94Å; F357-R371 HydrophobicContact CG-CB 4.41Å; E367-R371 PolarHBondContact O-N 3.28Å; R368-R371 PolarHBondContact O-N 2.93Å; R371-R373 PolarHBondContact O-N 3.36Å; R371-L374 PolarHBondContact O-N 3.26Å; R371-M375 HydrophobicContact CG-CE 3.79Å; R371-M375 HydrophobicContact CG-SD 4.04Å; R371-M375 WeakPolarHBondContact O-CG 3.1Å; R371-M375 PolarHBondContact O-N 2.98Å |
| 372 | D | 90.1 | Very high | 89.5 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 21% | 0.214 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | -176.4 | -70.6 | -20.6 | 0 | 0 | 0 | 111.4 | R368 Q370 L374 M375 D376 R410 | R368-D372 WeakPolarHBondContact O-CB 3.49Å; R368-D372 VanDerWaalsContact O-CG 3.32Å; R368-D372 PolarHBondContact O-N 3.45Å; Q370-D372 VanDerWaalsContact C-N 3.28Å; Q370-D372 PolarHBondContact O-N 2.97Å; D372-L374 PolarHBondContact O-N 2.89Å; D372-M375 PolarHBondContact O-N 3.1Å; D372-D376 PolarHBondContact O-N 2.83Å; D372-R410 VanDerWaalsContact CA-NH2 3.33Å; D372-R410 PolarHBondContact O-NH2 3.04Å; D372-R410 IonicContact OD1-NE 2.7Å; D372-R410 IonicContact OD1-NH2 3.6Å |
| 373 | R | 92.1 | Very high | 90.5 | Very high | 153 Ų | 153 | 62 Ų | 62 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 174.3 | -74.4 | 172.6 | 179.3 | 177.4 | 1.9 | 113.3 | V369 Q370 R371 D376 L377 | V369-R373 HydrophobicContact CG1-CG 4.48Å; V369-R373 WeakPolarHBondContact O-CB 3.35Å; V369-R373 VanDerWaalsContact O-CG 3.26Å; V369-R373 WeakPolarHBondContact O-CG 3.4Å; V369-R373 PolarHBondContact O-N 3.1Å; Q370-R373 PolarHBondContact O-N 3.27Å; R371-R373 PolarHBondContact O-N 3.36Å; R373-D376 PolarHBondContact O-N 3.03Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.21Å; R373-L377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 177.5 | -67.3 | 179.5 | 0 | 0 | 0 | 111.5 | L328 I350 I353 L354 F357 Q370 R371 D372 D376 L377 L378 | L328-L374 HydrophobicContact CD2-CD2 3.47Å; L328-L374 VanDerWaalsContact CD2-CD2 3.47Å; I350-L374 HydrophobicContact CG1-CD2 4.27Å; I350-L374 HydrophobicContact CG2-CB 4.19Å; I350-L374 HydrophobicContact CG2-CD2 4.31Å; I353-L374 HydrophobicContact CG2-CD1 3.9Å; L354-L374 HydrophobicContact CD1-CB 3.94Å; L354-L374 HydrophobicContact CD1-CD1 4.29Å; F357-L374 HydrophobicContact CD2-CD1 4.26Å; F357-L374 HydrophobicContact CE2-CD1 4.2Å; Q370-L374 HydrophobicContact CG-CD1 4.27Å; Q370-L374 HydrophobicContact CG-CG 4.48Å; Q370-L374 WeakPolarHBondContact O-CG 3.4Å; Q370-L374 PolarHBondContact O-N 3.09Å; R371-L374 PolarHBondContact O-N 3.26Å; D372-L374 PolarHBondContact O-N 2.89Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-L377 PolarHBondContact O-N 3.01Å; L374-L378 PolarHBondContact O-N 2.83Å |
| 375 | M | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 173.4 | -74.1 | 174.9 | 175.5 | 0 | 0 | 112 | L354 A358 R371 D372 L378 Q379 W397 I400 P407 R410 | L354-M375 HydrophobicContact CD1-CE 4.14Å; L354-M375 HydrophobicContact CD1-CG 4.08Å; L354-M375 HydrophobicContact CD2-CE 4.47Å; L354-M375 HydrophobicContact CD2-CG 4.01Å; A358-M375 HydrophobicContact CB-CE 4.47Å; R371-M375 HydrophobicContact CG-CE 3.79Å; R371-M375 HydrophobicContact CG-SD 4.04Å; R371-M375 WeakPolarHBondContact O-CG 3.1Å; R371-M375 PolarHBondContact O-N 2.98Å; D372-M375 PolarHBondContact O-N 3.1Å; M375-L378 PolarHBondContact O-N 3.41Å; M375-Q379 WeakPolarHBondContact O-CB 3.44Å; M375-Q379 PolarHBondContact O-N 3.5Å; M375-W397 HydrophobicContact CB-CH2 3.88Å; M375-W397 HydrophobicContact CB-CZ2 4.41Å; M375-W397 HydrophobicContact CG-CH2 3.94Å; M375-W397 HydrophobicContact CG-CZ3 4.39Å; M375-I400 HydrophobicContact CE-CG2 4.37Å; M375-P407 HydrophobicContact CE-CG 3.98Å; M375-P407 HydrophobicContact SD-CG 4.06Å; M375-R410 VanDerWaalsContact SD-CD 3.53Å |
| 376 | D | 94.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.4 | -63.3 | -20 | 0 | 0 | 0 | 111.3 | D372 R373 L374 L378 Q379 E380 R410 | D372-D376 PolarHBondContact O-N 2.83Å; R373-D376 PolarHBondContact O-N 3.03Å; L374-D376 VanDerWaalsContact C-N 3.35Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.92Å; D376-Q379 WeakPolarHBondContact O-CB 3.28Å; D376-Q379 PolarHBondContact O-N 3.2Å; D376-E380 PolarHBondContact O-N 2.85Å; D376-R410 IonicContact OD1-CZ 2.68Å; D376-R410 VanDerWaalsContact OD1-CZ 3.25Å; D376-R410 IonicContact OD1-NH1 3.49Å; D376-R410 PolarHBondContact OD1-NH1 3.28Å; D376-R410 IonicContact OD1-NH2 3.67Å; D376-R410 PolarHBondContact OD1-NH2 2.67Å; D376-R410 IonicContact OD2-NH2 2.74Å |
| 377 | L | 93.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 173 | -71.2 | 171.4 | 0 | 0 | 0 | 111.3 | L335 I350 R373 L374 Q379 E380 H381 | L335-L377 HydrophobicContact CD1-CD1 4.35Å; L335-L377 HydrophobicContact CD1-CD2 4.25Å; I350-L377 HydrophobicContact CD1-CB 4.41Å; I350-L377 HydrophobicContact CD1-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.21Å; R373-L377 VanDerWaalsContact O-N 3.1Å; L374-L377 PolarHBondContact O-N 3.01Å; L377-Q379 VanDerWaalsContact C-N 3.29Å; L377-Q379 PolarHBondContact O-N 2.82Å; L377-E380 PolarHBondContact O-N 3.44Å; L377-H381 PolarHBondContact O-CD2 3.07Å; L377-H381 PolarHBondContact O-N 3.03Å |
| 378 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 178.6 | -169 | 65.1 | 0 | 0 | 0 | 112.3 | L347 L354 L374 M375 D376 A393 I396 W397 | L347-L378 HydrophobicContact CD2-CD1 4.09Å; L354-L378 HydrophobicContact CD2-CD2 4.38Å; L374-L378 PolarHBondContact O-N 2.83Å; M375-L378 PolarHBondContact O-N 3.41Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.92Å; L378-A393 HydrophobicContact CD1-CB 3.97Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.92Å; L378-I396 HydrophobicContact CD1-CG2 4.07Å; L378-I396 HydrophobicContact CD2-CB 4.07Å; L378-I396 HydrophobicContact CD2-CG2 3.6Å; L378-W397 HydrophobicContact CB-CZ2 4.25Å; L378-W397 HydrophobicContact CD2-CD2 3.7Å; L378-W397 HydrophobicContact CD2-CE3 4.34Å; L378-W397 HydrophobicContact CD2-CG 3.81Å; L378-W397 HydrophobicContact CD2-CZ2 4.16Å; L378-W397 HydrophobicContact CG-CD2 4.35Å; L378-W397 HydrophobicContact CG-CG 4.31Å; L378-W397 HydrophobicContact CG-CZ2 4.37Å |
| 379 | Q | 95.5 | Very high | 93.4 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 176.5 | -166.7 | -175.2 | -61.1 | 0 | 0 | 112.2 | M375 D376 L377 H381 I382 H383 W397 L417 | M375-Q379 WeakPolarHBondContact O-CB 3.44Å; M375-Q379 PolarHBondContact O-N 3.5Å; D376-Q379 WeakPolarHBondContact O-CB 3.28Å; D376-Q379 PolarHBondContact O-N 3.2Å; L377-Q379 VanDerWaalsContact C-N 3.29Å; L377-Q379 PolarHBondContact O-N 2.82Å; Q379-H381 VanDerWaalsContact C-N 3.3Å; Q379-H381 PolarHBondContact O-N 3.22Å; Q379-I382 WeakPolarHBondContact O-CB 3.36Å; Q379-I382 PolarHBondContact O-N 3.23Å; Q379-H383 PolarHBondContact O-ND1 3.26Å; Q379-W397 HydrophobicContact CB-CZ2 4.27Å; Q379-L417 HydrophobicContact CG-CD1 3.28Å |
| 380 | E | 94.3 | Very high | 93.9 | Very high | 126 Ų | 126 | 53.1 Ų | 53.1 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.7 | -44.2 | 176.9 | -174.8 | 170.7 | -173.1 | 0 | 0 | 111.1 | D376 L377 I382 H383 | D376-E380 PolarHBondContact O-N 2.85Å; L377-E380 PolarHBondContact O-N 3.44Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.19Å; E380-H383 PolarHBondContact O-N 3.02Å |
| 381 | H | 95.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -77.4 | -0.6 | -179.9 | -70.2 | -73.1 | 0 | 0 | 0 | 115.5 | L347 L377 Q379 H383 D384 V389 A393 | L347-H381 HydrophobicContact CD1-CB 3.97Å; L347-H381 HydrophobicContact CD2-CB 4.14Å; L377-H381 PolarHBondContact O-CD2 3.07Å; L377-H381 PolarHBondContact O-N 3.03Å; Q379-H381 VanDerWaalsContact C-N 3.3Å; Q379-H381 PolarHBondContact O-N 3.22Å; H381-H383 PolarHBondContact O-N 3.37Å; H381-D384 IonicContact CE1-OD2 2.99Å; H381-D384 IonicContact ND1-OD2 3.84Å; H381-D384 PolarHBondContact ND1-OD2 3.31Å; H381-D384 VanDerWaalsContact ND1-OD2 3.1Å; H381-D384 PolarHBondContact O-N 3.44Å; H381-V389 HydrophobicContact CB-CG1 4.22Å; H381-A393 HydrophobicContact CB-CB 4.17Å |
| 382 | I | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -65 | -26.1 | 161.1 | -65 | 176 | 0 | 0 | 0 | 110.2 | Q379 E380 R390 A393 L394 L414 L417 A424 | Q379-I382 WeakPolarHBondContact O-CB 3.36Å; Q379-I382 PolarHBondContact O-N 3.23Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.19Å; I382-R390 WeakPolarHBondContact O-CD 3.43Å; I382-R390 WeakPolarHBondContact O-CG 3.33Å; I382-A393 HydrophobicContact CG1-CB 4.39Å; I382-L394 HydrophobicContact CD1-CD2 4.13Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.29Å; I382-L414 HydrophobicContact CD1-CD1 4Å; I382-L417 HydrophobicContact CD1-CB 4.46Å; I382-L417 HydrophobicContact CD1-CD1 4.09Å; I382-A424 HydrophobicContact CG2-CB 4.32Å |
| 383 | H | 93.8 | Very high | 95 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 57% | 0.569 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -102.2 | 18.3 | -179.6 | -53.2 | 87 | 0 | 0 | 0 | 112.9 | Q379 E380 H381 | Q379-H383 PolarHBondContact O-ND1 3.26Å; E380-H383 PolarHBondContact O-N 3.02Å; H381-H383 PolarHBondContact O-N 3.37Å |
| 384 | D | 95.2 | Very high | 95.3 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | trans | -62.6 | 146.6 | 178.3 | -163.4 | -73.5 | 0 | 0 | 0 | 111.3 | R343 H381 N386 V389 R390 | R343-D384 IonicContact CZ-OD1 3.76Å; R343-D384 IonicContact CZ-OD2 3.51Å; R343-D384 IonicContact NE-OD1 2.96Å; R343-D384 IonicContact NE-OD2 3.85Å; R343-D384 PolarHBondContact NE-OD2 3.04Å; R343-D384 IonicContact NH2-OD1 3.76Å; R343-D384 PolarHBondContact NH2-OD1 2.8Å; R343-D384 IonicContact NH2-OD2 2.9Å; H381-D384 IonicContact CE1-OD2 2.99Å; H381-D384 IonicContact ND1-OD2 3.84Å; H381-D384 PolarHBondContact ND1-OD2 3.31Å; H381-D384 VanDerWaalsContact ND1-OD2 3.1Å; H381-D384 PolarHBondContact O-N 3.44Å; D384-N386 PolarHBondContact O-N 2.97Å; D384-N386 PolarHBondContact OD1-N 3.35Å; D384-V389 HydrophobicContact CB-CB 3.88Å; D384-V389 HydrophobicContact CB-CG1 3.86Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.13Å; D384-R390 HydrophobicContact CB-CG 3.87Å; D384-R390 WeakPolarHBondContact O-CD 3.14Å; D384-R390 VanDerWaalsContact O-CG 3.24Å; D384-R390 WeakPolarHBondContact O-CG 3.23Å; D384-R390 PolarHBondContact O-NE 3.49Å | ||
| 385 | V | 92 | Very high | 95.6 | Very high | 135 Ų | 135 | 46.4 Ų | 46.4 | 82% | 0.818 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -63.2 | -28.2 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 386 | N | 92.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -95.9 | 123.5 | -176.6 | -170.9 | -54.8 | 0 | 0 | 0 | 111.6 | Y340 D384 Y388 V389 R390 | Y340-N386 WeakPolarHBondContact CD1-ND2 3.41Å; D384-N386 PolarHBondContact O-N 2.97Å; D384-N386 PolarHBondContact OD1-N 3.35Å; N386-Y388 VanDerWaalsContact C-N 3.26Å; N386-Y388 PolarHBondContact O-N 2.92Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.34Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.46Å; N386-Y388 PolarHBondContact OD1-N 3.31Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 3.46Å; N386-R390 PolarHBondContact O-N 3.5Å |
| 387 | G | 94.2 | Very high | 95.9 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -27.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A391 | G387-A391 VanDerWaalsContact O-CB 3.3Å; G387-A391 WeakPolarHBondContact O-CB 3.34Å; G387-A391 PolarHBondContact O-N 3.17Å |
| 388 | Y | 94.9 | Very high | 96 | Very high | 149 Ų | 149 | 44 Ų | 44 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -71.5 | -32.3 | 175.4 | -66.6 | -73.4 | 0 | 0 | 0 | 112.3 | Y340 N386 K392 | Y340-Y388 HydrophobicContact CD2-CG 4.5Å; Y340-Y388 HydrophobicContact CE2-CD2 4.17Å; Y340-Y388 HydrophobicContact CE2-CG 4.21Å; N386-Y388 VanDerWaalsContact C-N 3.26Å; N386-Y388 PolarHBondContact O-N 2.92Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.34Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.46Å; N386-Y388 PolarHBondContact OD1-N 3.31Å; Y388-K392 WeakPolarHBondContact O-CB 3.49Å; Y388-K392 PolarHBondContact O-N 3.48Å |
| 389 | V | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.5 | -44.9 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | R343 N344 L347 H381 D384 N386 A391 K392 A393 | R343-V389 HydrophobicContact CB-CG1 4.41Å; R343-V389 HydrophobicContact CB-CG2 4.37Å; N344-V389 VanDerWaalsContact OD1-CA 3.28Å; N344-V389 WeakPolarHBondContact OD1-CA 3.39Å; L347-V389 HydrophobicContact CD1-CG1 3.49Å; L347-V389 VanDerWaalsContact CD1-CG1 3.49Å; H381-V389 HydrophobicContact CB-CG1 4.22Å; D384-V389 HydrophobicContact CB-CB 3.88Å; D384-V389 HydrophobicContact CB-CG1 3.86Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.13Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 3.46Å; V389-A391 PolarHBondContact O-N 3.34Å; V389-K392 WeakPolarHBondContact O-CB 3.19Å; V389-K392 PolarHBondContact O-N 2.96Å; V389-K392 VanDerWaalsContact O-N 3.14Å; V389-A393 PolarHBondContact O-N 3.28Å |
| 390 | R | 97.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 45 Ų | 45 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 173.4 | -63.3 | -167.8 | -79.3 | 147.1 | 19.9 | 111.8 | I382 D384 N386 K392 A393 L394 D427 A432 | I382-R390 WeakPolarHBondContact O-CD 3.43Å; I382-R390 WeakPolarHBondContact O-CG 3.33Å; D384-R390 HydrophobicContact CB-CG 3.87Å; D384-R390 WeakPolarHBondContact O-CD 3.14Å; D384-R390 VanDerWaalsContact O-CG 3.24Å; D384-R390 WeakPolarHBondContact O-CG 3.23Å; D384-R390 PolarHBondContact O-NE 3.49Å; N386-R390 PolarHBondContact O-N 3.5Å; R390-K392 VanDerWaalsContact C-N 3.3Å; R390-K392 PolarHBondContact O-N 3Å; R390-A393 PolarHBondContact O-N 3.42Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 WeakPolarHBondContact O-CD1 3.22Å; R390-L394 VanDerWaalsContact O-CG 3.31Å; R390-L394 WeakPolarHBondContact O-CG 3.33Å; R390-L394 PolarHBondContact O-N 2.94Å; R390-D427 VanDerWaalsContact CZ-CG 3.47Å; R390-D427 IonicContact CZ-OD1 2.67Å; R390-D427 VanDerWaalsContact CZ-OD1 3.25Å; R390-D427 IonicContact CZ-OD2 3.4Å; R390-D427 IonicContact NE-OD2 3.5Å; R390-D427 IonicContact NH1-OD1 2.64Å; R390-D427 PolarHBondContact NH1-OD1 2.85Å; R390-D427 IonicContact NH1-OD2 3.11Å; R390-D427 PolarHBondContact NH1-OD2 3.1Å; R390-D427 IonicContact NH2-OD1 2.96Å; R390-D427 PolarHBondContact NH2-OD1 3.34Å; R390-D427 IonicContact NH2-OD2 3.16Å; R390-D427 PolarHBondContact NH2-OD2 3.22Å; R390-A432 HydrophobicContact CB-CB 4.48Å |
| 391 | A | 98.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G387 V389 Q395 A432 | G387-A391 VanDerWaalsContact O-CB 3.3Å; G387-A391 WeakPolarHBondContact O-CB 3.34Å; G387-A391 PolarHBondContact O-N 3.17Å; V389-A391 PolarHBondContact O-N 3.34Å; A391-Q395 VanDerWaalsContact O-CB 3.31Å; A391-Q395 WeakPolarHBondContact O-CB 3.48Å; A391-Q395 PolarHBondContact O-N 3.47Å; A391-A432 HydrophobicContact CB-CB 4.29Å |
| 392 | K | 97.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 176.6 | -175.2 | 61.5 | -178.9 | 177.9 | 0 | 112.2 | N344 L347 Y388 V389 R390 Q395 I396 | N344-K392 HydrophobicContact CB-CG 4.43Å; N344-K392 WeakPolarHBondContact OD1-CB 3.29Å; L347-K392 HydrophobicContact CB-CG 4.3Å; Y388-K392 WeakPolarHBondContact O-CB 3.49Å; Y388-K392 PolarHBondContact O-N 3.48Å; V389-K392 WeakPolarHBondContact O-CB 3.19Å; V389-K392 PolarHBondContact O-N 2.96Å; V389-K392 VanDerWaalsContact O-N 3.14Å; R390-K392 VanDerWaalsContact C-N 3.3Å; R390-K392 PolarHBondContact O-N 3Å; K392-Q395 PolarHBondContact O-N 2.99Å; K392-I396 HydrophobicContact CG-CD1 4.19Å; K392-I396 WeakPolarHBondContact O-CD1 3.4Å; K392-I396 VanDerWaalsContact O-CG1 3.31Å; K392-I396 WeakPolarHBondContact O-CG1 3.24Å; K392-I396 PolarHBondContact O-N 3Å |
| 393 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L347 L378 H381 I382 V389 R390 I396 W397 | L347-A393 HydrophobicContact CD1-CB 4.33Å; L378-A393 HydrophobicContact CD1-CB 3.97Å; H381-A393 HydrophobicContact CB-CB 4.17Å; I382-A393 HydrophobicContact CG1-CB 4.39Å; V389-A393 PolarHBondContact O-N 3.28Å; R390-A393 PolarHBondContact O-N 3.42Å; A393-I396 PolarHBondContact O-N 3.49Å; A393-W397 VanDerWaalsContact O-CD1 3.3Å; A393-W397 PolarHBondContact O-N 3.27Å |
| 394 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.6 | -68.3 | 162.7 | 0 | 0 | 0 | 112.2 | I382 R390 I396 W397 H398 L418 A424 A432 N435 A436 T439 | I382-L394 HydrophobicContact CD1-CD2 4.13Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.29Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 WeakPolarHBondContact O-CD1 3.22Å; R390-L394 VanDerWaalsContact O-CG 3.31Å; R390-L394 WeakPolarHBondContact O-CG 3.33Å; R390-L394 PolarHBondContact O-N 2.94Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 PolarHBondContact O-N 3.41Å; L394-W397 WeakPolarHBondContact O-CB 3.3Å; L394-W397 PolarHBondContact O-N 3.25Å; L394-H398 PolarHBondContact O-N 3.41Å; L394-L418 HydrophobicContact CD2-CD2 3.45Å; L394-L418 VanDerWaalsContact CD2-CD2 3.45Å; L394-A424 HydrophobicContact CD1-CB 3.82Å; L394-A424 HydrophobicContact CD2-CB 3.95Å; L394-A432 HydrophobicContact CD1-CB 3.92Å; L394-A432 WeakPolarHBondContact CD1-O 3.32Å; L394-N435 HydrophobicContact CB-CB 3.68Å; L394-A436 HydrophobicContact CD1-CB 4.27Å; L394-A436 HydrophobicContact CD2-CB 4.33Å; L394-T439 PolarHBondContact O-OG1 3.47Å |
| 395 | Q | 98.3 | Very high | 94.4 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 174 | -180 | -176.7 | 55.3 | 0 | 0 | 111.8 | A391 K392 H398 N399 | A391-Q395 VanDerWaalsContact O-CB 3.31Å; A391-Q395 WeakPolarHBondContact O-CB 3.48Å; A391-Q395 PolarHBondContact O-N 3.47Å; K392-Q395 PolarHBondContact O-N 2.99Å; Q395-H398 PolarHBondContact O-N 3.42Å; Q395-N399 VanDerWaalsContact O-CG 3.26Å; Q395-N399 PolarHBondContact O-N 2.99Å; Q395-N399 PolarHBondContact O-OD1 3.29Å |
| 396 | I | 97.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 177.2 | -63.5 | 158.1 | 0 | 0 | 0 | 109.9 | L347 L378 K392 A393 L394 H398 N399 I400 | L347-I396 HydrophobicContact CB-CD1 3.94Å; L347-I396 WeakPolarHBondContact O-CD1 3.43Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.92Å; L378-I396 HydrophobicContact CD1-CG2 4.07Å; L378-I396 HydrophobicContact CD2-CB 4.07Å; L378-I396 HydrophobicContact CD2-CG2 3.6Å; K392-I396 HydrophobicContact CG-CD1 4.19Å; K392-I396 WeakPolarHBondContact O-CD1 3.4Å; K392-I396 VanDerWaalsContact O-CG1 3.31Å; K392-I396 WeakPolarHBondContact O-CG1 3.24Å; K392-I396 PolarHBondContact O-N 3Å; A393-I396 PolarHBondContact O-N 3.49Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 PolarHBondContact O-N 3.41Å; I396-H398 PolarHBondContact O-N 3.47Å; I396-N399 PolarHBondContact O-N 3.26Å; I396-N399 VanDerWaalsContact O-N 3.16Å; I396-I400 HydrophobicContact CG2-CG1 4.37Å; I396-I400 WeakPolarHBondContact O-CG1 3.38Å; I396-I400 PolarHBondContact O-N 3.15Å |
| 397 | W | 97 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 173.2 | -84.3 | 116.7 | 0 | 0 | 0 | 112.1 | M375 L378 Q379 A393 L394 N399 I400 V401 L406 L414 T439 | M375-W397 HydrophobicContact CB-CH2 3.88Å; M375-W397 HydrophobicContact CB-CZ2 4.41Å; M375-W397 HydrophobicContact CG-CH2 3.94Å; M375-W397 HydrophobicContact CG-CZ3 4.39Å; L378-W397 HydrophobicContact CB-CZ2 4.25Å; L378-W397 HydrophobicContact CD2-CD2 3.7Å; L378-W397 HydrophobicContact CD2-CE3 4.34Å; L378-W397 HydrophobicContact CD2-CG 3.81Å; L378-W397 HydrophobicContact CD2-CZ2 4.16Å; L378-W397 HydrophobicContact CG-CD2 4.35Å; L378-W397 HydrophobicContact CG-CG 4.31Å; L378-W397 HydrophobicContact CG-CZ2 4.37Å; Q379-W397 HydrophobicContact CB-CZ2 4.27Å; A393-W397 VanDerWaalsContact O-CD1 3.3Å; A393-W397 PolarHBondContact O-N 3.27Å; L394-W397 WeakPolarHBondContact O-CB 3.3Å; L394-W397 PolarHBondContact O-N 3.25Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 2.94Å; W397-I400 PolarHBondContact O-N 3.46Å; W397-I400 VanDerWaalsContact O-N 3.13Å; W397-V401 WeakPolarHBondContact O-CG2 3.02Å; W397-V401 PolarHBondContact O-N 2.93Å; W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CZ3-CD1 3.63Å; W397-L414 HydrophobicContact CB-CD2 4.4Å; W397-L414 HydrophobicContact CD2-CD1 3.84Å; W397-L414 HydrophobicContact CD2-CD2 3.93Å; W397-L414 HydrophobicContact CE3-CD1 4.3Å; W397-L414 HydrophobicContact CE3-CD2 3.61Å; W397-L414 HydrophobicContact CG-CD1 3.96Å; W397-L414 HydrophobicContact CG-CD2 4.31Å; W397-L414 HydrophobicContact CZ3-CD2 4.18Å; W397-T439 HydrophobicContact CB-CG2 4.14Å |
| 398 | H | 96.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.2 | -48.3 | 173.4 | 170.6 | -109.5 | 0 | 0 | 0 | 111.6 | L394 Q395 I396 I400 V401 V402 K438 T439 | L394-H398 PolarHBondContact O-N 3.41Å; Q395-H398 PolarHBondContact O-N 3.42Å; I396-H398 PolarHBondContact O-N 3.47Å; H398-I400 PolarHBondContact O-N 3.16Å; H398-V401 WeakPolarHBondContact O-CB 3.45Å; H398-V401 PolarHBondContact O-N 2.95Å; H398-V402 WeakPolarHBondContact NE2-CG2 2.97Å; H398-V402 WeakPolarHBondContact O-CG2 3.13Å; H398-V402 PolarHBondContact O-N 3.48Å; H398-K438 PolarHBondContact CD2-O 2.95Å; H398-T439 WeakPolarHBondContact CB-OG1 3.49Å; H398-T439 PolarHBondContact N-OG1 3.04Å |
| 399 | N | 95.1 | Very high | 92 | Very high | 79 Ų | 79 | 31.9 Ų | 31.9 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 178.9 | -67.1 | -9.5 | 0 | 0 | 0 | 112.3 | Q395 I396 W397 V401 V402 L403 | Q395-N399 VanDerWaalsContact O-CG 3.26Å; Q395-N399 PolarHBondContact O-N 2.99Å; Q395-N399 PolarHBondContact O-OD1 3.29Å; I396-N399 PolarHBondContact O-N 3.26Å; I396-N399 VanDerWaalsContact O-N 3.16Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 2.94Å; N399-V401 VanDerWaalsContact C-N 3.33Å; N399-V402 PolarHBondContact O-N 3.38Å; N399-L403 WeakPolarHBondContact O-CB 2.98Å; N399-L403 WeakPolarHBondContact O-CG 3.24Å; N399-L403 PolarHBondContact O-N 3.2Å |
| 400 | I | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.8 | -66.7 | -61 | 0 | 0 | 0 | 111.3 | L354 P355 A358 M375 I396 W397 H398 G405 | L354-I400 HydrophobicContact CB-CD1 4.09Å; L354-I400 HydrophobicContact CD2-CD1 3.78Å; L354-I400 HydrophobicContact CD2-CG1 3.81Å; L354-I400 HydrophobicContact CG-CD1 3.71Å; L354-I400 HydrophobicContact CG-CG1 4.31Å; P355-I400 HydrophobicContact CG-CD1 4.05Å; A358-I400 HydrophobicContact CB-CD1 4.23Å; A358-I400 HydrophobicContact CB-CG2 4.45Å; M375-I400 HydrophobicContact CE-CG2 4.37Å; I396-I400 HydrophobicContact CG2-CG1 4.37Å; I396-I400 WeakPolarHBondContact O-CG1 3.38Å; I396-I400 PolarHBondContact O-N 3.15Å; W397-I400 PolarHBondContact O-N 3.46Å; W397-I400 VanDerWaalsContact O-N 3.13Å; H398-I400 PolarHBondContact O-N 3.16Å; I400-G405 WeakPolarHBondContact O-CA 3.21Å; I400-G405 PolarHBondContact O-N 3.27Å |
| 401 | V | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -61.4 | 173 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | W397 H398 N399 L403 G404 L406 L414 T439 A442 M443 Q446 | W397-V401 WeakPolarHBondContact O-CG2 3.02Å; W397-V401 PolarHBondContact O-N 2.93Å; H398-V401 WeakPolarHBondContact O-CB 3.45Å; H398-V401 PolarHBondContact O-N 2.95Å; N399-V401 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 2.96Å; V401-G404 WeakPolarHBondContact O-CA 3.45Å; V401-G404 PolarHBondContact O-N 3.42Å; V401-L406 HydrophobicContact CG2-CB 4.2Å; V401-L406 HydrophobicContact CG2-CD2 3.83Å; V401-L414 HydrophobicContact CG2-CD2 4.25Å; V401-T439 HydrophobicContact CG2-CG2 4Å; V401-A442 HydrophobicContact CB-CB 4.43Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V401-M443 HydrophobicContact CB-CG 4.44Å; V401-M443 HydrophobicContact CG1-CB 4.41Å; V401-M443 HydrophobicContact CG1-CG 3.79Å; V401-M443 HydrophobicContact CG2-CG 3.75Å; V401-Q446 PolarHBondContact O-NE2 2.98Å; V401-Q446 PolarHBondContact O-OE1 2.86Å; V401-Q446 VanDerWaalsContact O-OE1 3.08Å |
| 402 | V | 91.6 | Very high | 90.6 | Very high | 84 Ų | 84 | 31.8 Ų | 31.8 | 51% | 0.509 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -50.5 | -36.1 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 113.5 | H398 N399 G404 A442 | H398-V402 WeakPolarHBondContact NE2-CG2 2.97Å; H398-V402 WeakPolarHBondContact O-CG2 3.13Å; H398-V402 PolarHBondContact O-N 3.48Å; N399-V402 PolarHBondContact O-N 3.38Å; V402-G404 PolarHBondContact O-N 3.37Å; V402-A442 HydrophobicContact CG2-CB 4.05Å |
| 403 | L | 88.9 | Confident | 90.3 | Very high | 101 Ų | 101 | 34.6 Ų | 34.6 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.5 | 177 | -70.3 | 172 | 0 | 0 | 0 | 115.1 | P355 N399 V401 G405 | P355-L403 HydrophobicContact CB-CD1 4.27Å; P355-L403 HydrophobicContact CG-CD1 4.16Å; N399-L403 WeakPolarHBondContact O-CB 2.98Å; N399-L403 WeakPolarHBondContact O-CG 3.24Å; N399-L403 PolarHBondContact O-N 3.2Å; V401-L403 PolarHBondContact O-N 2.96Å; L403-G405 VanDerWaalsContact C-N 3.29Å |
| 404 | G | 85.5 | Confident | 90.1 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 21.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V401 V402 | V401-G404 WeakPolarHBondContact O-CA 3.45Å; V401-G404 PolarHBondContact O-N 3.42Å; V402-G404 PolarHBondContact O-N 3.37Å |
| 405 | G | 85.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -94.1 | -1.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I400 L403 P407 | I400-G405 WeakPolarHBondContact O-CA 3.21Å; I400-G405 PolarHBondContact O-N 3.27Å; L403-G405 VanDerWaalsContact C-N 3.29Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.36Å | ||
| 406 | L | 88.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | trans | -79 | 113.4 | -179.6 | -179.4 | 64.1 | 0 | 0 | 0 | 110.3 | W397 V401 R410 Q411 L414 M443 | W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CZ3-CD1 3.63Å; V401-L406 HydrophobicContact CG2-CB 4.2Å; V401-L406 HydrophobicContact CG2-CD2 3.83Å; L406-R410 HydrophobicContact CD1-CB 3.89Å; L406-Q411 HydrophobicContact CD2-CB 4.49Å; L406-Q411 HydrophobicContact CD2-CG 3.81Å; L406-Q411 HydrophobicContact CG-CG 4.11Å; L406-L414 HydrophobicContact CD1-CD2 4.14Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; L406-M443 HydrophobicContact CD2-CE 3.88Å; L406-M443 HydrophobicContact CD2-CG 4.15Å; L406-M443 HydrophobicContact CD2-SD 4.41Å | ||
| 407 | P | 82.5 | Confident | 89.7 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | trans | -64.5 | 140 | 177.3 | -19.9 | 34.1 | 0 | 0 | 0 | 110.4 | M375 G405 S409 R410 Q411 | M375-P407 HydrophobicContact CE-CG 3.98Å; M375-P407 HydrophobicContact SD-CG 4.06Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.36Å; P407-S409 PolarHBondContact O-N 3.42Å; P407-S409 VanDerWaalsContact O-N 3.13Å; P407-R410 WeakPolarHBondContact O-CA 3.3Å; P407-R410 WeakPolarHBondContact O-CB 3.47Å; P407-R410 PolarHBondContact O-N 2.64Å; P407-Q411 PolarHBondContact O-N 3.14Å | ||
| 408 | I | 75.1 | Confident | 89.7 | Confident | 49 Ų | 49 | 34.5 Ų | 34.5 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -50 | -43.3 | 179.3 | -66.3 | 153.9 | 0 | 0 | 0 | 112 | R410 Q411 V611 Y665 | I408-R410 PolarHBondContact O-N 3.26Å; I408-Q411 WeakPolarHBondContact O-CB 3.31Å; I408-Q411 PolarHBondContact O-N 3.05Å; I408-V611 HydrophobicContact CD1-CG2 3.69Å; I408-Y665 HydrophobicContact CD1-CD2 4.49Å; I408-Y665 HydrophobicContact CD1-CE2 3.95Å; I408-Y665 HydrophobicContact CG1-CE2 4.38Å; I408-Y665 HydrophobicContact CG2-CD2 3.67Å; I408-Y665 HydrophobicContact CG2-CE2 3.57Å |
| 409 | S | 76.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -5.3 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 115.8 | P407 E668 | P407-S409 PolarHBondContact O-N 3.42Å; P407-S409 VanDerWaalsContact O-N 3.13Å; S409-E668 VanDerWaalsContact CA-OE2 3.31Å; S409-E668 WeakPolarHBondContact CA-OE2 3.24Å |
| 410 | R | 87.3 | Confident | 89.7 | Confident | 19 Ų | 19 | 30 Ų | 30 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -117 | -8.2 | 176.4 | -66 | -164.7 | 179.5 | -106.2 | 1 | 113.3 | D372 M375 D376 L406 P407 I408 K413 L414 | D372-R410 VanDerWaalsContact CA-NH2 3.33Å; D372-R410 PolarHBondContact O-NH2 3.04Å; D372-R410 IonicContact OD1-NE 2.7Å; D372-R410 IonicContact OD1-NH2 3.6Å; M375-R410 VanDerWaalsContact SD-CD 3.53Å; D376-R410 IonicContact OD1-CZ 2.68Å; D376-R410 VanDerWaalsContact OD1-CZ 3.25Å; D376-R410 IonicContact OD1-NH1 3.49Å; D376-R410 PolarHBondContact OD1-NH1 3.28Å; D376-R410 IonicContact OD1-NH2 3.67Å; D376-R410 PolarHBondContact OD1-NH2 2.67Å; D376-R410 IonicContact OD2-NH2 2.74Å; L406-R410 HydrophobicContact CD1-CB 3.89Å; P407-R410 WeakPolarHBondContact O-CA 3.3Å; P407-R410 WeakPolarHBondContact O-CB 3.47Å; P407-R410 PolarHBondContact O-N 2.64Å; I408-R410 PolarHBondContact O-N 3.26Å; R410-K413 PolarHBondContact O-N 3.24Å; R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 PolarHBondContact O-N 3.31Å |
| 411 | Q | 87.9 | Confident | 89.5 | Confident | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -55.6 | 179.8 | -72.2 | 173.8 | -9 | 0 | 0 | 111.5 | L406 P407 I408 K413 L414 A415 M443 C447 F672 | L406-Q411 HydrophobicContact CD2-CB 4.49Å; L406-Q411 HydrophobicContact CD2-CG 3.81Å; L406-Q411 HydrophobicContact CG-CG 4.11Å; P407-Q411 PolarHBondContact O-N 3.14Å; I408-Q411 WeakPolarHBondContact O-CB 3.31Å; I408-Q411 PolarHBondContact O-N 3.05Å; Q411-K413 VanDerWaalsContact C-N 3.29Å; Q411-K413 PolarHBondContact O-N 3.42Å; Q411-L414 PolarHBondContact O-N 3.27Å; Q411-A415 WeakPolarHBondContact O-CB 3.26Å; Q411-A415 PolarHBondContact O-N 3.32Å; Q411-M443 HydrophobicContact CB-CE 4.48Å; Q411-M443 VanDerWaalsContact O-CE 3.22Å; Q411-M443 WeakPolarHBondContact O-CE 3.49Å; Q411-C447 PolarHBondContact NE2-SG 2.87Å; Q411-C447 VanDerWaalsContact NE2-SG 3.42Å; Q411-C447 PolarHBondContact OE1-SG 3.46Å; Q411-C447 VanDerWaalsContact OE1-SG 3.32Å; Q411-F672 HydrophobicContact CB-CD2 4.35Å |
| 412 | S | 88.5 | Confident | 89.4 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | A416 S671 | S412-A416 WeakPolarHBondContact O-CB 3.31Å; S412-A416 PolarHBondContact O-N 2.99Å; S412-S671 VanDerWaalsContact OG-CB 3.28Å; S412-S671 WeakPolarHBondContact OG-CB 3.5Å; S412-S671 PolarHBondContact OG-OG 2.87Å |
| 413 | K | 90.9 | Very high | 89.6 | Confident | 111 Ų | 111 | 41.9 Ų | 41.9 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -43.5 | 179.7 | -68.4 | 175.6 | -176.3 | 158.5 | 0 | 111.8 | R410 Q411 L417 | R410-K413 PolarHBondContact O-N 3.24Å; Q411-K413 VanDerWaalsContact C-N 3.29Å; Q411-K413 PolarHBondContact O-N 3.42Å; K413-L417 WeakPolarHBondContact O-CG 3.31Å |
| 414 | L | 94.3 | Very high | 90 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.8 | -178.1 | 59.8 | 0 | 0 | 0 | 110.3 | I382 W397 V401 L406 R410 Q411 A416 L417 L418 T439 M443 | I382-L414 HydrophobicContact CD1-CD1 4Å; W397-L414 HydrophobicContact CB-CD2 4.4Å; W397-L414 HydrophobicContact CD2-CD1 3.84Å; W397-L414 HydrophobicContact CD2-CD2 3.93Å; W397-L414 HydrophobicContact CE3-CD1 4.3Å; W397-L414 HydrophobicContact CE3-CD2 3.61Å; W397-L414 HydrophobicContact CG-CD1 3.96Å; W397-L414 HydrophobicContact CG-CD2 4.31Å; W397-L414 HydrophobicContact CZ3-CD2 4.18Å; V401-L414 HydrophobicContact CG2-CD2 4.25Å; L406-L414 HydrophobicContact CD1-CD2 4.14Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 PolarHBondContact O-N 3.31Å; Q411-L414 PolarHBondContact O-N 3.27Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 3.02Å; L414-L417 WeakPolarHBondContact O-CB 3.43Å; L414-L417 PolarHBondContact O-N 3.23Å; L414-L418 HydrophobicContact CG-CD1 4.29Å; L414-L418 WeakPolarHBondContact O-CG 3.31Å; L414-L418 PolarHBondContact O-N 3.26Å; L414-T439 HydrophobicContact CD2-CG2 4.02Å; L414-M443 HydrophobicContact CB-CE 4.08Å; L414-M443 HydrophobicContact CD2-CE 4.23Å; L414-M443 HydrophobicContact CD2-SD 3.83Å; L414-M443 HydrophobicContact CG-CE 4.26Å; L414-M443 HydrophobicContact CG-SD 4.05Å |
| 415 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q411 L417 L418 V419 M443 F672 H675 | Q411-A415 WeakPolarHBondContact O-CB 3.26Å; Q411-A415 PolarHBondContact O-N 3.32Å; A415-L417 PolarHBondContact O-N 3.45Å; A415-L417 VanDerWaalsContact O-N 3.15Å; A415-L418 PolarHBondContact O-N 3.25Å; A415-V419 WeakPolarHBondContact O-CG2 3.44Å; A415-V419 PolarHBondContact O-N 3.01Å; A415-V419 VanDerWaalsContact O-N 3.16Å; A415-M443 HydrophobicContact CB-CE 4.04Å; A415-F672 HydrophobicContact CB-CD2 3.65Å; A415-F672 HydrophobicContact CB-CE2 3.76Å; A415-H675 HydrophobicContact CB-CB 3.81Å |
| 416 | A | 94.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -24 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S412 L414 | S412-A416 WeakPolarHBondContact O-CB 3.31Å; S412-A416 PolarHBondContact O-N 2.99Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 3.02Å |
| 417 | L | 96.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -89.4 | -15.3 | 177 | -61.6 | 176.3 | 0 | 0 | 0 | 113 | Q379 I382 K413 L414 A415 G423 A424 | Q379-L417 HydrophobicContact CG-CD1 3.28Å; I382-L417 HydrophobicContact CD1-CB 4.46Å; I382-L417 HydrophobicContact CD1-CD1 4.09Å; K413-L417 WeakPolarHBondContact O-CG 3.31Å; L414-L417 WeakPolarHBondContact O-CB 3.43Å; L414-L417 PolarHBondContact O-N 3.23Å; A415-L417 PolarHBondContact O-N 3.45Å; A415-L417 VanDerWaalsContact O-N 3.15Å; L417-G423 WeakPolarHBondContact O-CA 2.99Å; L417-A424 PolarHBondContact O-N 2.86Å |
| 418 | L | 97.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -92.4 | -40.4 | -178.7 | -59.6 | -179.6 | 0 | 0 | 0 | 111.7 | L394 L414 A415 G423 A424 M425 A436 T439 L440 M443 | L394-L418 HydrophobicContact CD2-CD2 3.45Å; L394-L418 VanDerWaalsContact CD2-CD2 3.45Å; L414-L418 HydrophobicContact CG-CD1 4.29Å; L414-L418 WeakPolarHBondContact O-CG 3.31Å; L414-L418 PolarHBondContact O-N 3.26Å; A415-L418 PolarHBondContact O-N 3.25Å; L418-G423 CarbonylContact O-C 3.57Å; L418-G423 WeakPolarHBondContact O-CA 3.33Å; L418-A424 HydrophobicContact CD2-CB 4.1Å; L418-A424 PolarHBondContact O-N 3.14Å; L418-M425 VanDerWaalsContact O-CB 3.32Å; L418-M425 WeakPolarHBondContact O-CB 3.23Å; L418-M425 VanDerWaalsContact O-CG 3.25Å; L418-M425 WeakPolarHBondContact O-CG 3.42Å; L418-M425 PolarHBondContact O-N 3.4Å; L418-A436 HydrophobicContact CD2-CB 3.94Å; L418-T439 HydrophobicContact CD1-CG2 3.8Å; L418-L440 HydrophobicContact CD1-CB 4Å; L418-L440 HydrophobicContact CD1-CD1 4.31Å; L418-M443 HydrophobicContact CD1-SD 3.9Å |
| 419 | V | 96.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -98.6 | 160.5 | -169.3 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | A415 M425 L440 H675 T678 A679 D682 | A415-V419 WeakPolarHBondContact O-CG2 3.44Å; A415-V419 PolarHBondContact O-N 3.01Å; A415-V419 VanDerWaalsContact O-N 3.16Å; V419-M425 HydrophobicContact CG1-SD 4.2Å; V419-L440 HydrophobicContact CG1-CD1 4.38Å; V419-L440 HydrophobicContact CG1-CD2 3.44Å; V419-L440 VanDerWaalsContact CG1-CD2 3.44Å; V419-H675 HydrophobicContact CG2-CB 3.87Å; V419-T678 HydrophobicContact CB-CG2 4.19Å; V419-T678 HydrophobicContact CG2-CG2 4.12Å; V419-A679 HydrophobicContact CG1-CB 3.73Å; V419-D682 WeakPolarHBondContact CA-OD2 3.36Å; V419-D682 WeakPolarHBondContact CB-OD2 3.43Å |
| 420 | G | 93.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 82.1 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L422 G423 D682 | G420-L422 PolarHBondContact O-N 3.19Å; G420-G423 WeakPolarHBondContact O-CA 3.43Å; G420-G423 PolarHBondContact O-N 2.95Å; G420-D682 PolarHBondContact N-OD2 3.46Å |
| 421 | N | 89.9 | Confident | 94.1 | Very high | 149 Ų | 149 | 44.3 Ų | 44.3 | 80% | 0.797 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.9 | -172.2 | -60.8 | -1.9 | 0 | 0 | 0 | 115.2 | ||
| 422 | L | 90.9 | Very high | 94.6 | Very high | 180 Ų | 180 | 43.3 Ų | 43.3 | 94% | 0.942 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 1.8 | 176.8 | -60.6 | 177.6 | 0 | 0 | 0 | 112.5 | G420 | G420-L422 PolarHBondContact O-N 3.19Š|
| 423 | G | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.5 | 160 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L417 L418 G420 M425 M426 | L417-G423 WeakPolarHBondContact O-CA 2.99Å; L418-G423 CarbonylContact O-C 3.57Å; L418-G423 WeakPolarHBondContact O-CA 3.33Å; G420-G423 WeakPolarHBondContact O-CA 3.43Å; G420-G423 PolarHBondContact O-N 2.95Å; G423-M425 PolarHBondContact O-N 3.24Å; G423-M425 VanDerWaalsContact O-N 3.13Å; G423-M426 PolarHBondContact O-N 3.37Å |
| 424 | A | 97 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.8 | -15 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I382 L394 L417 L418 M426 D427 A436 | I382-A424 HydrophobicContact CG2-CB 4.32Å; L394-A424 HydrophobicContact CD1-CB 3.82Å; L394-A424 HydrophobicContact CD2-CB 3.95Å; L417-A424 PolarHBondContact O-N 2.86Å; L418-A424 HydrophobicContact CD2-CB 4.1Å; L418-A424 PolarHBondContact O-N 3.14Å; A424-M426 VanDerWaalsContact C-N 3.27Å; A424-D427 WeakPolarHBondContact O-CB 3.41Å; A424-D427 PolarHBondContact O-N 2.9Å; A424-A436 HydrophobicContact CB-CB 3.73Å |
| 425 | M | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -70.5 | -23.7 | 170.5 | -71.3 | 175.5 | 62.6 | 0 | 0 | 112.9 | L418 V419 G423 R433 A436 L440 D682 F683 M686 | L418-M425 VanDerWaalsContact O-CB 3.32Å; L418-M425 WeakPolarHBondContact O-CB 3.23Å; L418-M425 VanDerWaalsContact O-CG 3.25Å; L418-M425 WeakPolarHBondContact O-CG 3.42Å; L418-M425 PolarHBondContact O-N 3.4Å; V419-M425 HydrophobicContact CG1-SD 4.2Å; G423-M425 PolarHBondContact O-N 3.24Å; G423-M425 VanDerWaalsContact O-N 3.13Å; M425-R433 WeakPolarHBondContact O-CD 3.48Å; M425-R433 VanDerWaalsContact O-CG 3.25Å; M425-R433 WeakPolarHBondContact O-CG 3.27Å; M425-A436 HydrophobicContact CG-CB 3.97Å; M425-L440 HydrophobicContact CE-CD2 4.47Å; M425-L440 HydrophobicContact SD-CD2 3.41Å; M425-L440 WeakPolarHBondContact SD-CD2 3.29Å; M425-D682 HydrophobicContact CE-CB 3.7Å; M425-F683 HydrophobicContact CE-CD1 3.87Å; M425-F683 HydrophobicContact CE-CD2 3.56Å; M425-F683 HydrophobicContact CE-CE1 3.81Å; M425-F683 HydrophobicContact CE-CE2 3.44Å; M425-F683 VanDerWaalsContact CE-CE2 3.44Å; M425-F683 HydrophobicContact CE-CG 3.79Å; M425-F683 HydrophobicContact CE-CZ 3.61Å; M425-F683 HydrophobicContact SD-CE2 4.18Å; M425-F683 HydrophobicContact SD-CZ 4.42Å; M425-M686 HydrophobicContact CE-SD 3.92Å |
| 426 | M | 94.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -100.2 | 19.9 | 177.1 | -61 | -59 | 129.4 | 0 | 0 | 112.3 | G423 A424 D682 M686 | G423-M426 PolarHBondContact O-N 3.37Å; A424-M426 VanDerWaalsContact C-N 3.27Å; M426-D682 HydrophobicContact CE-CB 3.78Å; M426-M686 HydrophobicContact CE-CG 4.18Å; M426-M686 HydrophobicContact CE-SD 4.32Å |
| 427 | D | 96.6 | Very high | 96 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -65.5 | 145.5 | -179.5 | -162.5 | -56.3 | 0 | 0 | 0 | 112.5 | R390 A424 S429 A432 R433 | R390-D427 VanDerWaalsContact CZ-CG 3.47Å; R390-D427 IonicContact CZ-OD1 2.67Å; R390-D427 VanDerWaalsContact CZ-OD1 3.25Å; R390-D427 IonicContact CZ-OD2 3.4Å; R390-D427 IonicContact NE-OD2 3.5Å; R390-D427 IonicContact NH1-OD1 2.64Å; R390-D427 PolarHBondContact NH1-OD1 2.85Å; R390-D427 IonicContact NH1-OD2 3.11Å; R390-D427 PolarHBondContact NH1-OD2 3.1Å; R390-D427 IonicContact NH2-OD1 2.96Å; R390-D427 PolarHBondContact NH2-OD1 3.34Å; R390-D427 IonicContact NH2-OD2 3.16Å; R390-D427 PolarHBondContact NH2-OD2 3.22Å; A424-D427 WeakPolarHBondContact O-CB 3.41Å; A424-D427 PolarHBondContact O-N 2.9Å; D427-S429 VanDerWaalsContact C-N 3.27Å; D427-S429 PolarHBondContact O-N 3.03Å; D427-S429 WeakPolarHBondContact OD1-CB 3.32Å; D427-S429 PolarHBondContact OD1-N 3.31Å; D427-A432 HydrophobicContact CB-CB 3.93Å; D427-A432 VanDerWaalsContact CG-CB 3.46Å; D427-A432 WeakPolarHBondContact OD2-CB 3.32Å; D427-R433 HydrophobicContact CB-CG 3.84Å; D427-R433 WeakPolarHBondContact O-CD 3.33Å; D427-R433 WeakPolarHBondContact O-CG 3.26Å; D427-R433 PolarHBondContact O-NH1 3.02Å | ||
| 428 | V | 94.5 | Very high | 96 | Very high | 136 Ų | 136 | 42.4 Ų | 42.4 | 82% | 0.824 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -60.6 | -37 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | A430 R433 | V428-A430 PolarHBondContact O-N 3.3Å; V428-R433 PolarHBondContact O-NH1 3.05Å; V428-R433 VanDerWaalsContact O-NH1 3.08Å |
| 429 | S | 95.1 | Very high | 96 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -76 | 112.6 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | D427 S431 A432 R433 | D427-S429 VanDerWaalsContact C-N 3.27Å; D427-S429 PolarHBondContact O-N 3.03Å; D427-S429 WeakPolarHBondContact OD1-CB 3.32Å; D427-S429 PolarHBondContact OD1-N 3.31Å; S429-S431 PolarHBondContact O-N 3.47Å; S429-S431 VanDerWaalsContact O-N 3.16Å; S429-A432 WeakPolarHBondContact O-CA 3.25Å; S429-A432 WeakPolarHBondContact O-CB 3.25Å; S429-A432 PolarHBondContact O-N 3.1Å; S429-A432 PolarHBondContact OG-N 2.88Å; S429-R433 PolarHBondContact O-N 3.43Å | ||
| 430 | A | 95.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.8 | -32.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V428 K434 T691 | V428-A430 PolarHBondContact O-N 3.3Å; A430-K434 VanDerWaalsContact O-CB 3.28Å; A430-K434 WeakPolarHBondContact O-CB 3.48Å; A430-K434 PolarHBondContact O-N 2.98Å; A430-T691 HydrophobicContact CB-CG2 4.22Å |
| 431 | S | 96.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 42% | 0.42 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -37.4 | 175 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | S429 N435 | S429-S431 PolarHBondContact O-N 3.47Å; S429-S431 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-N 2.89Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 3.01Å |
| 432 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -47.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R390 A391 L394 D427 S429 K434 N435 A436 | R390-A432 HydrophobicContact CB-CB 4.48Å; A391-A432 HydrophobicContact CB-CB 4.29Å; L394-A432 HydrophobicContact CD1-CB 3.92Å; L394-A432 WeakPolarHBondContact CD1-O 3.32Å; D427-A432 HydrophobicContact CB-CB 3.93Å; D427-A432 VanDerWaalsContact CG-CB 3.46Å; D427-A432 WeakPolarHBondContact OD2-CB 3.32Å; S429-A432 WeakPolarHBondContact O-CA 3.25Å; S429-A432 WeakPolarHBondContact O-CB 3.25Å; S429-A432 PolarHBondContact O-N 3.1Å; S429-A432 PolarHBondContact OG-N 2.88Å; A432-K434 PolarHBondContact O-N 3.43Å; A432-N435 PolarHBondContact O-N 2.96Å; A432-A436 WeakPolarHBondContact O-CB 3.2Å; A432-A436 PolarHBondContact O-N 3.24Å |
| 433 | R | 97.8 | Very high | 96.1 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.2 | -52.8 | 174.5 | -63.5 | -161.8 | -61.9 | -89.2 | 10.5 | 111.9 | M425 D427 V428 S429 N435 A436 C437 T691 D694 | M425-R433 WeakPolarHBondContact O-CD 3.48Å; M425-R433 VanDerWaalsContact O-CG 3.25Å; M425-R433 WeakPolarHBondContact O-CG 3.27Å; D427-R433 HydrophobicContact CB-CG 3.84Å; D427-R433 WeakPolarHBondContact O-CD 3.33Å; D427-R433 WeakPolarHBondContact O-CG 3.26Å; D427-R433 PolarHBondContact O-NH1 3.02Å; V428-R433 PolarHBondContact O-NH1 3.05Å; V428-R433 VanDerWaalsContact O-NH1 3.08Å; S429-R433 PolarHBondContact O-N 3.43Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.23Å; R433-A436 WeakPolarHBondContact O-CA 3.31Å; R433-A436 WeakPolarHBondContact O-CB 3.49Å; R433-A436 PolarHBondContact O-N 3Å; R433-C437 PolarHBondContact O-N 3.39Å; R433-C437 PolarHBondContact O-SG 3.21Å; R433-T691 PolarHBondContact NH2-OG1 3.34Å; R433-D694 IonicContact CZ-OD1 2.61Å; R433-D694 IonicContact CZ-OD2 3.17Å; R433-D694 VanDerWaalsContact CZ-OD2 3.28Å; R433-D694 IonicContact NE-OD1 3.67Å; R433-D694 PolarHBondContact NE-OD1 3.47Å; R433-D694 IonicContact NE-OD2 2.7Å; R433-D694 PolarHBondContact NE-OD2 3.26Å; R433-D694 IonicContact NH2-OD1 3.29Å; R433-D694 PolarHBondContact NH2-OD1 3.37Å; R433-D694 IonicContact NH2-OD2 2.75Å; R433-D694 PolarHBondContact NH2-OD2 3.06Å |
| 434 | K | 98.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 26.6 Ų | 26.6 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -52.5 | -48 | 177.4 | 177.3 | 173.8 | -177.8 | 167.8 | 0 | 112.7 | A430 A432 K438 E697 | A430-K434 VanDerWaalsContact O-CB 3.28Å; A430-K434 WeakPolarHBondContact O-CB 3.48Å; A430-K434 PolarHBondContact O-N 2.98Å; A432-K434 PolarHBondContact O-N 3.43Å; K434-K438 VanDerWaalsContact CE-CE 3.44Å; K434-K438 WeakPolarHBondContact O-CG 3.43Å; K434-K438 PolarHBondContact O-N 3.43Å; K434-E697 VanDerWaalsContact CE-OE1 3.23Å; K434-E697 WeakPolarHBondContact CE-OE1 3.45Å; K434-E697 HydrophobicContact CG-CG 4.08Å |
| 435 | N | 98.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.2 | -33.1 | 179.5 | -72.7 | -70.9 | 0 | 0 | 0 | 112.1 | L394 S431 A432 R433 T439 | L394-N435 HydrophobicContact CB-CB 3.68Å; S431-N435 PolarHBondContact O-N 2.89Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 3.01Å; A432-N435 PolarHBondContact O-N 2.96Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.23Å; N435-T439 WeakPolarHBondContact O-CB 3.09Å; N435-T439 PolarHBondContact O-N 3.36Å; N435-T439 PolarHBondContact O-OG1 3.5Å |
| 436 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L394 L418 A424 M425 A432 R433 T439 L440 | L394-A436 HydrophobicContact CD1-CB 4.27Å; L394-A436 HydrophobicContact CD2-CB 4.33Å; L418-A436 HydrophobicContact CD2-CB 3.94Å; A424-A436 HydrophobicContact CB-CB 3.73Å; M425-A436 HydrophobicContact CG-CB 3.97Å; A432-A436 WeakPolarHBondContact O-CB 3.2Å; A432-A436 PolarHBondContact O-N 3.24Å; R433-A436 WeakPolarHBondContact O-CA 3.31Å; R433-A436 WeakPolarHBondContact O-CB 3.49Å; R433-A436 PolarHBondContact O-N 3Å; A436-T439 WeakPolarHBondContact O-CB 3.28Å; A436-T439 PolarHBondContact O-N 2.85Å; A436-L440 PolarHBondContact O-N 3.21Å |
| 437 | C | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 175.6 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | R433 T439 L440 T441 F683 M686 E697 | R433-C437 PolarHBondContact O-N 3.39Å; R433-C437 PolarHBondContact O-SG 3.21Å; C437-T439 VanDerWaalsContact C-N 3.3Å; C437-T439 PolarHBondContact O-N 3.11Å; C437-L440 PolarHBondContact O-N 2.97Å; C437-L440 VanDerWaalsContact O-N 3.14Å; C437-T441 WeakPolarHBondContact O-CB 3.43Å; C437-T441 PolarHBondContact O-N 3.25Å; C437-T441 PolarHBondContact O-OG1 3.44Å; C437-F683 HydrophobicContact CB-CE1 3.69Å; C437-F683 HydrophobicContact CB-CZ 3.77Å; C437-F683 VanDerWaalsContact SG-CE1 3.58Å; C437-M686 VanDerWaalsContact SG-CE 3.5Å; C437-M686 VanDerWaalsContact SG-SD 3.65Å; C437-E697 HydrophobicContact CB-CB 3.86Å |
| 438 | K | 97.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 175.7 | -73.5 | -178 | -177.9 | -50.9 | 0 | 112.8 | H398 K434 L440 A442 E697 E700 | H398-K438 PolarHBondContact CD2-O 2.95Å; K434-K438 VanDerWaalsContact CE-CE 3.44Å; K434-K438 WeakPolarHBondContact O-CG 3.43Å; K434-K438 PolarHBondContact O-N 3.43Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.21Å; K438-A442 VanDerWaalsContact O-CB 3.31Å; K438-A442 WeakPolarHBondContact O-CB 3.4Å; K438-A442 PolarHBondContact O-N 3.41Å; K438-E697 WeakPolarHBondContact CE-OE1 3.32Å; K438-E697 WeakPolarHBondContact CE-OE2 3.49Å; K438-E697 WeakPolarHBondContact CG-OE2 3.42Å; K438-E697 IonicContact NZ-OE1 3.63Å; K438-E697 PolarHBondContact NZ-OE1 2.89Å; K438-E697 IonicContact NZ-OE2 3.21Å; K438-E697 PolarHBondContact NZ-OE2 3.48Å; K438-E700 IonicContact NZ-OE2 3.35Å |
| 439 | T | 97.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 110 | L394 W397 H398 V401 L414 L418 N435 A436 C437 A442 M443 | L394-T439 PolarHBondContact O-OG1 3.47Å; W397-T439 HydrophobicContact CB-CG2 4.14Å; H398-T439 WeakPolarHBondContact CB-OG1 3.49Å; H398-T439 PolarHBondContact N-OG1 3.04Å; V401-T439 HydrophobicContact CG2-CG2 4Å; L414-T439 HydrophobicContact CD2-CG2 4.02Å; L418-T439 HydrophobicContact CD1-CG2 3.8Å; N435-T439 WeakPolarHBondContact O-CB 3.09Å; N435-T439 PolarHBondContact O-N 3.36Å; N435-T439 PolarHBondContact O-OG1 3.5Å; A436-T439 WeakPolarHBondContact O-CB 3.28Å; A436-T439 PolarHBondContact O-N 2.85Å; C437-T439 VanDerWaalsContact C-N 3.3Å; C437-T439 PolarHBondContact O-N 3.11Å; T439-A442 PolarHBondContact O-N 2.95Å; T439-M443 HydrophobicContact CG2-SD 4.13Å; T439-M443 VanDerWaalsContact O-CG 3.23Å; T439-M443 WeakPolarHBondContact O-CG 3.37Å; T439-M443 PolarHBondContact O-N 2.96Å |
| 440 | L | 95.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | -177.4 | -170.2 | 59.6 | 0 | 0 | 0 | 112.8 | L418 V419 M425 A436 C437 K438 A442 M443 I444 I676 A679 F683 | L418-L440 HydrophobicContact CD1-CB 4Å; L418-L440 HydrophobicContact CD1-CD1 4.31Å; V419-L440 HydrophobicContact CG1-CD1 4.38Å; V419-L440 HydrophobicContact CG1-CD2 3.44Å; V419-L440 VanDerWaalsContact CG1-CD2 3.44Å; M425-L440 HydrophobicContact CE-CD2 4.47Å; M425-L440 HydrophobicContact SD-CD2 3.41Å; M425-L440 WeakPolarHBondContact SD-CD2 3.29Å; A436-L440 PolarHBondContact O-N 3.21Å; C437-L440 PolarHBondContact O-N 2.97Å; C437-L440 VanDerWaalsContact O-N 3.14Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.21Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 2.79Å; L440-M443 HydrophobicContact CD1-SD 4.35Å; L440-M443 WeakPolarHBondContact O-CB 3.43Å; L440-M443 PolarHBondContact O-N 2.94Å; L440-M443 VanDerWaalsContact O-N 3.12Å; L440-I444 PolarHBondContact O-N 3.13Å; L440-I676 HydrophobicContact CD1-CD1 3.99Å; L440-A679 HydrophobicContact CD2-CB 3.45Å; L440-A679 VanDerWaalsContact CD2-CB 3.45Å; L440-A679 HydrophobicContact CG-CB 4.42Å; L440-F683 HydrophobicContact CD2-CE2 4.03Å |
| 441 | T | 94.9 | Very high | 88.2 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | C437 M443 I444 I704 | C437-T441 WeakPolarHBondContact O-CB 3.43Å; C437-T441 PolarHBondContact O-N 3.25Å; C437-T441 PolarHBondContact O-OG1 3.44Å; T441-M443 VanDerWaalsContact C-N 3.35Å; T441-M443 PolarHBondContact O-N 2.77Å; T441-I444 PolarHBondContact O-N 3.37Å; T441-I704 HydrophobicContact CG2-CB 3.97Å; T441-I704 HydrophobicContact CG2-CD1 3.49Å; T441-I704 VanDerWaalsContact CG2-CD1 3.49Å; T441-I704 HydrophobicContact CG2-CG1 4.3Å; T441-I704 HydrophobicContact CG2-CG2 3.93Å |
| 442 | A | 93.2 | Very high | 87.1 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 12% | 0.116 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V401 V402 K438 T439 L440 L445 | V401-A442 HydrophobicContact CB-CB 4.43Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V402-A442 HydrophobicContact CG2-CB 4.05Å; K438-A442 VanDerWaalsContact O-CB 3.31Å; K438-A442 WeakPolarHBondContact O-CB 3.4Å; K438-A442 PolarHBondContact O-N 3.41Å; T439-A442 PolarHBondContact O-N 2.95Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 2.79Å; A442-L445 PolarHBondContact O-N 3.02Å |
| 443 | M | 91.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 178 | -74.4 | 170.1 | 74.8 | 0 | 0 | 112 | V401 L406 Q411 L414 A415 L418 T439 L440 T441 L445 Q446 C447 F672 | V401-M443 HydrophobicContact CB-CG 4.44Å; V401-M443 HydrophobicContact CG1-CB 4.41Å; V401-M443 HydrophobicContact CG1-CG 3.79Å; V401-M443 HydrophobicContact CG2-CG 3.75Å; L406-M443 HydrophobicContact CD2-CE 3.88Å; L406-M443 HydrophobicContact CD2-CG 4.15Å; L406-M443 HydrophobicContact CD2-SD 4.41Å; Q411-M443 HydrophobicContact CB-CE 4.48Å; Q411-M443 VanDerWaalsContact O-CE 3.22Å; Q411-M443 WeakPolarHBondContact O-CE 3.49Å; L414-M443 HydrophobicContact CB-CE 4.08Å; L414-M443 HydrophobicContact CD2-CE 4.23Å; L414-M443 HydrophobicContact CD2-SD 3.83Å; L414-M443 HydrophobicContact CG-CE 4.26Å; L414-M443 HydrophobicContact CG-SD 4.05Å; A415-M443 HydrophobicContact CB-CE 4.04Å; L418-M443 HydrophobicContact CD1-SD 3.9Å; T439-M443 HydrophobicContact CG2-SD 4.13Å; T439-M443 VanDerWaalsContact O-CG 3.23Å; T439-M443 WeakPolarHBondContact O-CG 3.37Å; T439-M443 PolarHBondContact O-N 2.96Å; L440-M443 HydrophobicContact CD1-SD 4.35Å; L440-M443 WeakPolarHBondContact O-CB 3.43Å; L440-M443 PolarHBondContact O-N 2.94Å; L440-M443 VanDerWaalsContact O-N 3.12Å; T441-M443 VanDerWaalsContact C-N 3.35Å; T441-M443 PolarHBondContact O-N 2.77Å; M443-L445 VanDerWaalsContact C-N 3.3Å; M443-L445 PolarHBondContact O-N 3.3Å; M443-Q446 PolarHBondContact O-N 3.06Å; M443-Q446 VanDerWaalsContact O-N 3.1Å; M443-C447 PolarHBondContact O-N 2.89Å; M443-C447 PolarHBondContact O-SG 3.33Å; M443-F672 HydrophobicContact CB-CZ 4.35Å; M443-F672 HydrophobicContact CE-CD2 4.46Å; M443-F672 HydrophobicContact CE-CE2 3.72Å |
| 444 | I | 88.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.4 | -43.5 | 178 | -80.4 | 164.7 | 0 | 0 | 0 | 111.6 | L440 T441 Q446 C447 I676 F701 A708 I710 | L440-I444 PolarHBondContact O-N 3.13Å; T441-I444 PolarHBondContact O-N 3.37Å; I444-Q446 PolarHBondContact O-N 3.5Å; I444-Q446 VanDerWaalsContact O-N 3.17Å; I444-C447 PolarHBondContact O-N 3.3Å; I444-I676 HydrophobicContact CD1-CD1 4.1Å; I444-I676 HydrophobicContact CD1-CG2 4.49Å; I444-I676 HydrophobicContact CG1-CD1 3.77Å; I444-F701 HydrophobicContact CD1-CD2 4.01Å; I444-F701 HydrophobicContact CD1-CE2 3.24Å; I444-F701 HydrophobicContact CD1-CZ 3.98Å; I444-A708 HydrophobicContact CG2-CB 3.88Å; I444-I710 HydrophobicContact CB-CD1 4.23Å; I444-I710 HydrophobicContact CD1-CD1 3.68Å; I444-I710 HydrophobicContact CG1-CD1 3.84Å; I444-I710 HydrophobicContact CG2-CD1 3.39Å; I444-I710 HydrophobicContact CG2-CG1 4.37Å |
| 445 | L | 83.9 | Confident | 84 | Confident | 113 Ų | 113 | 30 Ų | 30 | 59% | 0.592 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.7 | -21.7 | 179.9 | -69.3 | 176.5 | 0 | 0 | 0 | 113.5 | A442 M443 I704 A708 | A442-L445 PolarHBondContact O-N 3.02Å; M443-L445 VanDerWaalsContact C-N 3.3Å; M443-L445 PolarHBondContact O-N 3.3Å; L445-I704 HydrophobicContact CD1-CG2 4.02Å; L445-I704 HydrophobicContact CD2-CG2 3.75Å; L445-I704 HydrophobicContact CG-CG2 3.8Å; L445-A708 HydrophobicContact CD2-CB 4.42Å |
| 446 | Q | 78.7 | Confident | 83.1 | Confident | 61 Ų | 61 | 32 Ų | 32 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -99.3 | -5.1 | -178.3 | -62.8 | -168.4 | -8.2 | 0 | 0 | 114.2 | V401 M443 I444 P448 | V401-Q446 PolarHBondContact O-NE2 2.98Å; V401-Q446 PolarHBondContact O-OE1 2.86Å; V401-Q446 VanDerWaalsContact O-OE1 3.08Å; M443-Q446 PolarHBondContact O-N 3.06Å; M443-Q446 VanDerWaalsContact O-N 3.1Å; I444-Q446 PolarHBondContact O-N 3.5Å; I444-Q446 VanDerWaalsContact O-N 3.17Å; Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.44Å |
| 447 | C | 74.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | trans | -118.1 | 85.8 | -175.1 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | Q411 M443 I444 A449 A450 F672 | Q411-C447 PolarHBondContact NE2-SG 2.87Å; Q411-C447 VanDerWaalsContact NE2-SG 3.42Å; Q411-C447 PolarHBondContact OE1-SG 3.46Å; Q411-C447 VanDerWaalsContact OE1-SG 3.32Å; M443-C447 PolarHBondContact O-N 2.89Å; M443-C447 PolarHBondContact O-SG 3.33Å; I444-C447 PolarHBondContact O-N 3.3Å; C447-A449 PolarHBondContact O-N 2.87Å; C447-A450 VanDerWaalsContact O-CB 3.27Å; C447-A450 WeakPolarHBondContact O-CB 3.47Å; C447-A450 PolarHBondContact O-N 3.18Å; C447-F672 HydrophobicContact CB-CD1 4.18Å; C447-F672 HydrophobicContact CB-CE1 3.46Å; C447-F672 VanDerWaalsContact CB-CE1 3.46Å; C447-F672 HydrophobicContact CB-CZ 4.06Å | ||
| 448 | P | 63.4 | Low | 81.4 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -52.5 | -31.1 | -177.2 | -27.6 | 33.2 | 0 | 0 | 0 | 114.1 | Q446 A450 K451 A603 | Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-A450 PolarHBondContact O-N 3.46Å; P448-K451 WeakPolarHBondContact O-CG 3.45Å; P448-K451 PolarHBondContact O-N 2.87Å; P448-A603 HydrophobicContact CB-CB 4.13Å |
| 449 | A | 68.5 | Low | 80.8 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -68.1 | -12 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C447 K451 L452 A604 T669 I673 | C447-A449 PolarHBondContact O-N 2.87Å; A449-K451 PolarHBondContact O-N 2.75Å; A449-K451 VanDerWaalsContact O-N 3.12Å; A449-L452 HydrophobicContact CB-CD1 4.26Å; A449-L452 WeakPolarHBondContact O-CB 3.42Å; A449-L452 PolarHBondContact O-N 3.2Å; A449-A604 HydrophobicContact CB-CB 4.29Å; A449-T669 HydrophobicContact CB-CG2 3.16Å; A449-I673 WeakPolarHBondContact O-CD1 3.38Å |
| 450 | A | 68.3 | Low | 80 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.3 | -18.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | C447 P448 L452 F672 I710 | C447-A450 VanDerWaalsContact O-CB 3.27Å; C447-A450 WeakPolarHBondContact O-CB 3.47Å; C447-A450 PolarHBondContact O-N 3.18Å; P448-A450 PolarHBondContact O-N 3.46Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 PolarHBondContact O-N 3.45Å; A450-F672 HydrophobicContact CB-CE1 4.45Å; A450-I710 HydrophobicContact CB-CD1 4.22Å; A450-I710 HydrophobicContact CB-CG1 4.38Å |
| 451 | K | 72.8 | Confident | 79.4 | Confident | 73 Ų | 73 | 41.3 Ų | 41.3 | 32% | 0.317 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -71.2 | -18.9 | 173.8 | -65.2 | -179.9 | 176.7 | -166.7 | 0 | 114 | P448 A449 A600 A708 | P448-K451 WeakPolarHBondContact O-CG 3.45Å; P448-K451 PolarHBondContact O-N 2.87Å; A449-K451 PolarHBondContact O-N 2.75Å; A449-K451 VanDerWaalsContact O-N 3.12Å; K451-A600 HydrophobicContact CB-CB 3.96Å; K451-A600 HydrophobicContact CD-CB 4.13Å; K451-A708 WeakPolarHBondContact CE-O 3.22Å; K451-A708 WeakPolarHBondContact CG-O 3.28Å |
| 452 | L | 72.2 | Confident | 79.1 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -85.3 | 143.3 | -175.2 | -62.8 | 169.9 | 0 | 0 | 0 | 111.1 | A449 A450 L457 A597 A600 L601 I673 | A449-L452 HydrophobicContact CB-CD1 4.26Å; A449-L452 WeakPolarHBondContact O-CB 3.42Å; A449-L452 PolarHBondContact O-N 3.2Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 PolarHBondContact O-N 3.45Å; L452-L457 HydrophobicContact CB-CB 4.5Å; L452-L457 HydrophobicContact CD1-CD1 4.07Å; L452-A597 HydrophobicContact CD2-CB 4.23Å; L452-A597 WeakPolarHBondContact CD2-O 3.44Å; L452-A600 HydrophobicContact CD2-CB 4.35Å; L452-A600 HydrophobicContact CG-CB 4.32Å; L452-L601 HydrophobicContact CD1-CD1 3.91Å; L452-L601 HydrophobicContact CD2-CB 4.35Å; L452-I673 HydrophobicContact CB-CD1 4.22Å |
| 453 | T | 74.2 | Confident | 78.9 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | trans | -71.1 | 155.3 | 165.5 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | N455 E456 L457 K711 | T453-N455 PolarHBondContact O-N 3.36Å; T453-E456 PolarHBondContact N-OE2 3.41Å; T453-E456 PolarHBondContact O-N 3.48Å; T453-E456 WeakPolarHBondContact OG1-CB 3.14Å; T453-E456 WeakPolarHBondContact OG1-CG 3.13Å; T453-E456 PolarHBondContact OG1-N 2.99Å; T453-E456 VanDerWaalsContact OG1-N 3.14Å; T453-E456 PolarHBondContact OG1-OE2 3.25Å; T453-L457 PolarHBondContact O-N 3.21Å; T453-L457 VanDerWaalsContact O-N 3.12Å; T453-K711 HydrophobicContact CG2-CD 3.61Å | ||
| 454 | T | 75.5 | Confident | 78.6 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.9 | -37.2 | 173.2 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | Q458 I673 | T454-Q458 VanDerWaalsContact O-CB 3.23Å; T454-Q458 WeakPolarHBondContact O-CB 3.22Å; T454-Q458 PolarHBondContact O-N 3.03Å; T454-I673 HydrophobicContact CG2-CG2 3.9Å |
| 455 | N | 79.8 | Confident | 78.6 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71 | -47.5 | 179.7 | -70.7 | -17.3 | 0 | 0 | 0 | 113 | T453 L457 Q458 Q459 | T453-N455 PolarHBondContact O-N 3.36Å; N455-L457 VanDerWaalsContact C-N 3.32Å; N455-L457 PolarHBondContact O-N 3Å; N455-Q458 PolarHBondContact O-N 3.36Å; N455-Q459 WeakPolarHBondContact O-CG 3.43Å; N455-Q459 PolarHBondContact O-N 3.15Å; N455-Q459 VanDerWaalsContact O-N 3.11Å |
| 456 | E | 78.5 | Confident | 79.1 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 177.2 | -73.8 | 155.7 | 175.9 | 0 | 0 | 110.6 | T453 Q459 V460 K711 | T453-E456 PolarHBondContact N-OE2 3.41Å; T453-E456 PolarHBondContact O-N 3.48Å; T453-E456 WeakPolarHBondContact OG1-CB 3.14Å; T453-E456 WeakPolarHBondContact OG1-CG 3.13Å; T453-E456 PolarHBondContact OG1-N 2.99Å; T453-E456 VanDerWaalsContact OG1-N 3.14Å; T453-E456 PolarHBondContact OG1-OE2 3.25Å; E456-Q459 PolarHBondContact O-N 2.87Å; E456-V460 PolarHBondContact O-N 2.97Å; E456-K711 IonicContact OE1-NZ 2.67Å; E456-K711 PolarHBondContact OE1-NZ 3.08Å; E456-K711 IonicContact OE2-NZ 3.41Å |
| 457 | L | 78.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 178.6 | -175.3 | 63.9 | 0 | 0 | 0 | 112 | L452 T453 N455 Q459 V460 V461 L666 T669 S670 I673 | L452-L457 HydrophobicContact CB-CB 4.5Å; L452-L457 HydrophobicContact CD1-CD1 4.07Å; T453-L457 PolarHBondContact O-N 3.21Å; T453-L457 VanDerWaalsContact O-N 3.12Å; N455-L457 VanDerWaalsContact C-N 3.32Å; N455-L457 PolarHBondContact O-N 3Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 3.35Å; L457-V460 PolarHBondContact O-N 2.89Å; L457-V460 VanDerWaalsContact O-N 3.1Å; L457-V461 HydrophobicContact CG-CG2 4.26Å; L457-V461 VanDerWaalsContact O-CG2 3.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.49Å; L457-V461 PolarHBondContact O-N 2.92Å; L457-L666 HydrophobicContact CD1-CD2 3.97Å; L457-T669 HydrophobicContact CD2-CG2 3.86Å; L457-S670 VanDerWaalsContact CD2-CA 3.49Å; L457-I673 HydrophobicContact CD2-CD1 3.51Å |
| 458 | Q | 83.1 | Confident | 80.3 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 178.8 | -170.8 | 64.3 | 37.4 | 0 | 0 | 112 | T454 N455 V460 V461 N462 | T454-Q458 VanDerWaalsContact O-CB 3.23Å; T454-Q458 WeakPolarHBondContact O-CB 3.22Å; T454-Q458 PolarHBondContact O-N 3.03Å; N455-Q458 PolarHBondContact O-N 3.36Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.45Å; Q458-V461 PolarHBondContact O-N 3.49Å; Q458-N462 PolarHBondContact NE2-OD1 3.26Å; Q458-N462 WeakPolarHBondContact O-CB 3.41Å; Q458-N462 PolarHBondContact O-N 3.46Å; Q458-N462 PolarHBondContact O-ND2 2.98Å; Q458-N462 PolarHBondContact O-OD1 3.47Å |
| 459 | Q | 83.6 | Confident | 81.7 | Confident | 142 Ų | 142 | 61.5 Ų | 61.5 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 175.1 | -69.1 | 179.7 | 12.6 | 0 | 0 | 111.8 | N455 E456 L457 N462 K463 | N455-Q459 WeakPolarHBondContact O-CG 3.43Å; N455-Q459 PolarHBondContact O-N 3.15Å; N455-Q459 VanDerWaalsContact O-N 3.11Å; E456-Q459 PolarHBondContact O-N 2.87Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 3.35Å; Q459-N462 PolarHBondContact O-N 3.37Å; Q459-K463 PolarHBondContact O-N 3.23Å |
| 460 | V | 81.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.3 | -41.5 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | E456 L457 Q458 N462 K463 E464 L601 L666 | E456-V460 PolarHBondContact O-N 2.97Å; L457-V460 PolarHBondContact O-N 2.89Å; L457-V460 VanDerWaalsContact O-N 3.1Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.45Å; V460-N462 VanDerWaalsContact C-N 3.27Å; V460-N462 PolarHBondContact O-N 3.19Å; V460-K463 PolarHBondContact O-N 2.82Å; V460-K463 VanDerWaalsContact O-N 3.14Å; V460-E464 HydrophobicContact CG1-CG 4.23Å; V460-E464 WeakPolarHBondContact O-CG 3.38Å; V460-E464 PolarHBondContact O-N 3.34Å; V460-L601 HydrophobicContact CB-CD1 3.97Å; V460-L601 HydrophobicContact CG1-CD1 3.93Å; V460-L601 HydrophobicContact CG2-CD1 3.61Å; V460-L601 HydrophobicContact CG2-CD2 3.55Å; V460-L601 HydrophobicContact CG2-CG 4.15Å; V460-L666 HydrophobicContact CG1-CD1 4.22Å |
| 461 | V | 83.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.4 | -50.3 | 169.6 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | L457 Q458 K463 E464 T465 L666 L667 | L457-V461 HydrophobicContact CG-CG2 4.26Å; L457-V461 VanDerWaalsContact O-CG2 3.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.49Å; L457-V461 PolarHBondContact O-N 2.92Å; Q458-V461 PolarHBondContact O-N 3.49Å; V461-K463 VanDerWaalsContact C-N 3.32Å; V461-K463 PolarHBondContact O-N 3.5Å; V461-E464 PolarHBondContact O-N 3.38Å; V461-T465 HydrophobicContact CG1-CG2 4.15Å; V461-T465 WeakPolarHBondContact O-CB 3.28Å; V461-T465 WeakPolarHBondContact O-CG2 3.47Å; V461-T465 PolarHBondContact O-N 3.15Å; V461-T465 PolarHBondContact O-OG1 3.14Å; V461-L666 HydrophobicContact CG2-CB 3.71Å; V461-L667 HydrophobicContact CG1-CD2 3.72Å; V461-L667 HydrophobicContact CG1-CG 4.42Å |
| 462 | N | 88.7 | Confident | 84.7 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 179.9 | -70 | -15.8 | 0 | 0 | 0 | 113.4 | Q458 Q459 V460 T465 K466 | Q458-N462 PolarHBondContact NE2-OD1 3.26Å; Q458-N462 WeakPolarHBondContact O-CB 3.41Å; Q458-N462 PolarHBondContact O-N 3.46Å; Q458-N462 PolarHBondContact O-ND2 2.98Å; Q458-N462 PolarHBondContact O-OD1 3.47Å; Q459-N462 PolarHBondContact O-N 3.37Å; V460-N462 VanDerWaalsContact C-N 3.27Å; V460-N462 PolarHBondContact O-N 3.19Å; N462-T465 VanDerWaalsContact CA-OG1 3.32Å; N462-T465 WeakPolarHBondContact CA-OG1 3.23Å; N462-T465 PolarHBondContact O-OG1 3.37Å; N462-K466 VanDerWaalsContact O-CG 3.31Å; N462-K466 WeakPolarHBondContact O-CG 3.37Å; N462-K466 PolarHBondContact O-N 2.83Å |
| 463 | K | 87.3 | Confident | 85.5 | Confident | 144 Ų | 144 | 69.7 Ų | 69.7 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.7 | -47 | 176.2 | -179.6 | -177.7 | 175.2 | -177 | 0 | 111.1 | Q459 V460 V461 K466 R467 | Q459-K463 PolarHBondContact O-N 3.23Å; V460-K463 PolarHBondContact O-N 2.82Å; V460-K463 VanDerWaalsContact O-N 3.14Å; V461-K463 VanDerWaalsContact C-N 3.32Å; V461-K463 PolarHBondContact O-N 3.5Å; K463-K466 PolarHBondContact O-N 3.45Å; K463-R467 PolarHBondContact O-N 3.11Å; K463-R467 VanDerWaalsContact O-N 3.11Å |
| 464 | E | 85.2 | Confident | 86.2 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.4 | -27.4 | -177 | -65.8 | -53.8 | 132.9 | 0 | 0 | 112.8 | V460 V461 R467 L468 Q659 V663 L666 | V460-E464 HydrophobicContact CG1-CG 4.23Å; V460-E464 WeakPolarHBondContact O-CG 3.38Å; V460-E464 PolarHBondContact O-N 3.34Å; V461-E464 PolarHBondContact O-N 3.38Å; E464-R467 PolarHBondContact O-N 3.42Å; E464-R467 WeakPolarHBondContact OE2-CD 3.46Å; E464-R467 IonicContact OE2-NH1 2.82Å; E464-L468 PolarHBondContact O-N 3.44Å; E464-Q659 PolarHBondContact O-NE2 2.95Å; E464-Q659 PolarHBondContact OE2-NE2 2.95Å; E464-V663 HydrophobicContact CB-CG2 4.21Å; E464-V663 WeakPolarHBondContact O-CG2 3.43Å; E464-L666 HydrophobicContact CB-CD1 3.94Å; E464-L666 HydrophobicContact CG-CD1 3.89Å |
| 465 | T | 90.2 | Very high | 86.6 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 169.9 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | V461 N462 R467 L468 E469 V663 | V461-T465 HydrophobicContact CG1-CG2 4.15Å; V461-T465 WeakPolarHBondContact O-CB 3.28Å; V461-T465 WeakPolarHBondContact O-CG2 3.47Å; V461-T465 PolarHBondContact O-N 3.15Å; V461-T465 PolarHBondContact O-OG1 3.14Å; N462-T465 VanDerWaalsContact CA-OG1 3.32Å; N462-T465 WeakPolarHBondContact CA-OG1 3.23Å; N462-T465 PolarHBondContact O-OG1 3.37Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.93Å; T465-L468 WeakPolarHBondContact O-CA 3.46Å; T465-L468 WeakPolarHBondContact O-CB 3.46Å; T465-L468 PolarHBondContact O-N 3.18Å; T465-L468 VanDerWaalsContact O-N 3.07Å; T465-E469 WeakPolarHBondContact O-CG 3.49Å; T465-E469 PolarHBondContact O-N 3.19Å; T465-V663 HydrophobicContact CG2-CG1 3.59Å; T465-V663 HydrophobicContact CG2-CG2 4.25Å |
| 466 | K | 93.3 | Very high | 86.8 | Confident | 146 Ų | 146 | 69.4 Ų | 69.4 | 64% | 0.635 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 173.7 | -74.1 | 175.9 | -178.5 | 179 | 0 | 112.4 | N462 K463 L468 E469 S470 | N462-K466 VanDerWaalsContact O-CG 3.31Å; N462-K466 WeakPolarHBondContact O-CG 3.37Å; N462-K466 PolarHBondContact O-N 2.83Å; K463-K466 PolarHBondContact O-N 3.45Å; K466-L468 VanDerWaalsContact C-N 3.35Å; K466-E469 PolarHBondContact O-N 2.59Å; K466-S470 PolarHBondContact O-N 3.21Å; K466-S470 VanDerWaalsContact O-N 3.08Å |
| 467 | R | 88.2 | Confident | 86.9 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.4 | -173.5 | -179.1 | -178.5 | 179 | 1.8 | 111.7 | K463 E464 T465 S470 L471 | K463-R467 PolarHBondContact O-N 3.11Å; K463-R467 VanDerWaalsContact O-N 3.11Å; E464-R467 PolarHBondContact O-N 3.42Å; E464-R467 WeakPolarHBondContact OE2-CD 3.46Å; E464-R467 IonicContact OE2-NH1 2.82Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.93Å; R467-S470 PolarHBondContact O-N 3.08Å; R467-L471 WeakPolarHBondContact O-CG 3.35Å; R467-L471 PolarHBondContact O-N 3.35Å; R467-L471 VanDerWaalsContact O-N 3.12Å |
| 468 | L | 90.2 | Very high | 86.8 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.4 | 176.3 | 58.3 | 0 | 0 | 0 | 111.5 | E464 T465 K466 S470 L471 E472 V656 Q659 R660 V663 | E464-L468 PolarHBondContact O-N 3.44Å; T465-L468 WeakPolarHBondContact O-CA 3.46Å; T465-L468 WeakPolarHBondContact O-CB 3.46Å; T465-L468 PolarHBondContact O-N 3.18Å; T465-L468 VanDerWaalsContact O-N 3.07Å; K466-L468 VanDerWaalsContact C-N 3.35Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-S470 PolarHBondContact O-N 2.73Å; L468-L471 PolarHBondContact O-N 3.07Å; L468-L471 VanDerWaalsContact O-N 3.17Å; L468-E472 HydrophobicContact CD1-CG 3.99Å; L468-E472 HydrophobicContact CG-CG 4.38Å; L468-E472 WeakPolarHBondContact O-CG 3.35Å; L468-E472 PolarHBondContact O-N 3.09Å; L468-V656 HydrophobicContact CD1-CG1 4.29Å; L468-Q659 HydrophobicContact CB-CG 3.74Å; L468-Q659 HydrophobicContact CD1-CB 4.03Å; L468-Q659 HydrophobicContact CD1-CG 4.02Å; L468-Q659 HydrophobicContact CG-CG 4.44Å; L468-R660 HydrophobicContact CD1-CB 4.44Å; L468-R660 HydrophobicContact CD1-CG 3.46Å; L468-R660 VanDerWaalsContact CD1-CG 3.46Å; L468-R660 HydrophobicContact CD2-CG 3.81Å; L468-R660 HydrophobicContact CG-CG 4.27Å; L468-V663 HydrophobicContact CB-CG2 4.19Å; L468-V663 HydrophobicContact CD2-CB 4.34Å; L468-V663 HydrophobicContact CD2-CG2 4.08Å |
| 469 | E | 93.5 | Very high | 86.3 | Confident | 112 Ų | 112 | 79.6 Ų | 79.6 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.8 | -46.4 | 177.7 | -69.9 | 170.4 | 173.8 | 0 | 0 | 111.4 | T465 K466 L471 E472 E473 | T465-E469 WeakPolarHBondContact O-CG 3.49Å; T465-E469 PolarHBondContact O-N 3.19Å; K466-E469 PolarHBondContact O-N 2.59Å; E469-L471 PolarHBondContact O-N 3.33Å; E469-E472 PolarHBondContact O-N 3.44Å; E469-E473 WeakPolarHBondContact O-CG 3.01Å; E469-E473 PolarHBondContact O-N 3.47Å |
| 470 | S | 92.6 | Very high | 85.6 | Confident | 64 Ų | 64 | 75.5 Ų | 75.5 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 113.2 | K466 R467 L468 E473 L474 | K466-S470 PolarHBondContact O-N 3.21Å; K466-S470 VanDerWaalsContact O-N 3.08Å; R467-S470 PolarHBondContact O-N 3.08Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-S470 PolarHBondContact O-N 2.73Å; S470-E473 PolarHBondContact O-N 2.95Å; S470-L474 WeakPolarHBondContact O-CG 3.36Å; S470-L474 PolarHBondContact O-N 3.37Å |
| 471 | L | 88.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.7 | -71.2 | 174.2 | 0 | 0 | 0 | 112.2 | R467 L468 E469 L474 L475 L652 V656 Q659 | R467-L471 WeakPolarHBondContact O-CG 3.35Å; R467-L471 PolarHBondContact O-N 3.35Å; R467-L471 VanDerWaalsContact O-N 3.12Å; L468-L471 PolarHBondContact O-N 3.07Å; L468-L471 VanDerWaalsContact O-N 3.17Å; E469-L471 PolarHBondContact O-N 3.33Å; L471-L474 PolarHBondContact O-N 2.77Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 2.82Å; L471-L652 HydrophobicContact CD2-CD1 4.07Å; L471-V656 HydrophobicContact CB-CG2 3.77Å; L471-Q659 HydrophobicContact CD1-CB 3.91Å; L471-Q659 HydrophobicContact CD1-CG 4.09Å |
| 472 | E | 91.1 | Very high | 83.3 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 175.9 | -72.6 | -173.6 | 170.3 | 0 | 0 | 111.8 | L468 E469 L475 I476 V656 R660 | L468-E472 HydrophobicContact CD1-CG 3.99Å; L468-E472 HydrophobicContact CG-CG 4.38Å; L468-E472 WeakPolarHBondContact O-CG 3.35Å; L468-E472 PolarHBondContact O-N 3.09Å; E469-E472 PolarHBondContact O-N 3.44Å; E472-L475 PolarHBondContact O-N 3.16Å; E472-I476 VanDerWaalsContact O-CG1 3.27Å; E472-I476 WeakPolarHBondContact O-CG1 3.4Å; E472-I476 PolarHBondContact O-N 2.93Å; E472-V656 HydrophobicContact CG-CG1 3.95Å; E472-R660 IonicContact OE1-CZ 2.77Å; E472-R660 IonicContact OE1-NE 3.44Å; E472-R660 PolarHBondContact OE1-NE 3.33Å; E472-R660 IonicContact OE1-NH2 3.56Å; E472-R660 PolarHBondContact OE1-NH2 2.62Å; E472-R660 IonicContact OE2-NH2 3.37Å |
| 473 | E | 90 | Very high | 81.5 | Confident | 115 Ų | 115 | 85 Ų | 85 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.2 | -76.4 | -175.3 | -174.2 | 0 | 0 | 111.9 | E469 S470 L475 I476 R477 | E469-E473 WeakPolarHBondContact O-CG 3.01Å; E469-E473 PolarHBondContact O-N 3.47Å; S470-E473 PolarHBondContact O-N 2.95Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.73Å; E473-I476 PolarHBondContact O-N 3.19Å; E473-R477 VanDerWaalsContact O-CB 3.32Å; E473-R477 WeakPolarHBondContact O-CB 3.36Å; E473-R477 PolarHBondContact O-N 3.41Å |
| 474 | L | 86.8 | Confident | 79.7 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.6 | -76 | 174.8 | 0 | 0 | 0 | 111.4 | S470 L471 R477 Y478 L652 | S470-L474 WeakPolarHBondContact O-CG 3.36Å; S470-L474 PolarHBondContact O-N 3.37Å; L471-L474 PolarHBondContact O-N 2.77Å; L474-R477 PolarHBondContact O-N 2.86Å; L474-Y478 WeakPolarHBondContact O-CD2 3.45Å; L474-Y478 PolarHBondContact O-N 3.31Å; L474-L652 HydrophobicContact CB-CD1 4.49Å; L474-L652 HydrophobicContact CB-CD2 4.25Å |
| 475 | L | 85.1 | Confident | 77.8 | Confident | 15 Ų | 15 | 95 Ų | 95 | 8% | 0.079 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 178.7 | -177.5 | 65.5 | 0 | 0 | 0 | 111.9 | L471 E472 E473 R477 Y478 K479 L652 T653 V656 | L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 2.82Å; E472-L475 PolarHBondContact O-N 3.16Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.73Å; L475-R477 VanDerWaalsContact C-N 3.35Å; L475-Y478 PolarHBondContact O-N 2.92Å; L475-K479 WeakPolarHBondContact O-CG 3.06Å; L475-K479 PolarHBondContact O-N 2.75Å; L475-L652 HydrophobicContact CB-CD2 4.04Å; L475-L652 HydrophobicContact CB-CG 4.24Å; L475-L652 HydrophobicContact CD1-CD2 4.03Å; L475-L652 HydrophobicContact CD1-CG 4.09Å; L475-T653 HydrophobicContact CD1-CG2 3.55Å; L475-T653 HydrophobicContact CD2-CG2 4.11Å; L475-T653 HydrophobicContact CG-CG2 4.49Å; L475-V656 HydrophobicContact CB-CG2 4.31Å; L475-V656 HydrophobicContact CD2-CB 4.48Å; L475-V656 HydrophobicContact CD2-CG2 4.12Å |
| 476 | I | 84.5 | Confident | 75.6 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 57% | 0.569 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 174 | -68.2 | 164.3 | 0 | 0 | 0 | 109.9 | E472 E473 Y478 K479 S480 | E472-I476 VanDerWaalsContact O-CG1 3.27Å; E472-I476 WeakPolarHBondContact O-CG1 3.4Å; E472-I476 PolarHBondContact O-N 2.93Å; E473-I476 PolarHBondContact O-N 3.19Å; I476-Y478 PolarHBondContact O-N 3.16Å; I476-K479 PolarHBondContact O-N 3.29Å; I476-S480 WeakPolarHBondContact O-CB 3.19Å; I476-S480 PolarHBondContact O-N 3.4Å |
| 477 | R | 80.6 | Confident | 72.9 | Confident | 152 Ų | 152 | 100.7 Ų | 100.7 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.7 | -45.9 | 177.7 | -155.9 | -179.1 | -64.5 | -169.8 | 1.8 | 110.7 | E473 L474 L475 K479 S480 V481 | E473-R477 VanDerWaalsContact O-CB 3.32Å; E473-R477 WeakPolarHBondContact O-CB 3.36Å; E473-R477 PolarHBondContact O-N 3.41Å; L474-R477 PolarHBondContact O-N 2.86Å; L475-R477 VanDerWaalsContact C-N 3.35Å; R477-K479 PolarHBondContact O-N 3.4Å; R477-S480 PolarHBondContact O-N 3.06Å; R477-S480 PolarHBondContact O-OG 3.13Å; R477-V481 WeakPolarHBondContact O-CG2 3.5Å; R477-V481 PolarHBondContact O-N 2.91Å |
| 478 | Y | 75.5 | Confident | 70.3 | Confident | 102 Ų | 102 | 100.8 Ų | 100.8 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 173.5 | -101.2 | -89.9 | 0 | 0 | 0 | 113 | L474 L475 I476 S480 V481 S482 T645 L652 | L474-Y478 WeakPolarHBondContact O-CD2 3.45Å; L474-Y478 PolarHBondContact O-N 3.31Å; L475-Y478 PolarHBondContact O-N 2.92Å; I476-Y478 PolarHBondContact O-N 3.16Å; Y478-S480 VanDerWaalsContact C-N 3.26Å; Y478-S480 PolarHBondContact O-N 3.49Å; Y478-V481 PolarHBondContact O-N 3.35Å; Y478-S482 PolarHBondContact O-N 2.84Å; Y478-T645 HydrophobicContact CE1-CG2 4.3Å; Y478-L652 HydrophobicContact CD2-CD2 3.88Å; Y478-L652 HydrophobicContact CE2-CD2 4.45Å; Y478-L652 HydrophobicContact CG-CD2 4.36Å |
| 479 | K | 73.3 | Confident | 67.5 | Low | 103 Ų | 103 | 102.8 Ų | 102.8 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 176.6 | -74.2 | 175.5 | 179.9 | 176.3 | 0 | 112 | L475 I476 R477 K483 | L475-K479 WeakPolarHBondContact O-CG 3.06Å; L475-K479 PolarHBondContact O-N 2.75Å; I476-K479 PolarHBondContact O-N 3.29Å; R477-K479 PolarHBondContact O-N 3.4Å; K479-K483 PolarHBondContact O-N 3.21Å |
| 480 | S | 68.2 | Low | 64.5 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.4 | -39.7 | 177.9 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | I476 R477 Y478 K483 R484 | I476-S480 WeakPolarHBondContact O-CB 3.19Å; I476-S480 PolarHBondContact O-N 3.4Å; R477-S480 PolarHBondContact O-N 3.06Å; R477-S480 PolarHBondContact O-OG 3.13Å; Y478-S480 VanDerWaalsContact C-N 3.26Å; Y478-S480 PolarHBondContact O-N 3.49Å; S480-K483 PolarHBondContact O-N 3.16Å; S480-R484 PolarHBondContact O-N 3.43Å |
| 481 | V | 61.8 | Low | 61.3 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | R477 Y478 K483 R484 K485 | R477-V481 WeakPolarHBondContact O-CG2 3.5Å; R477-V481 PolarHBondContact O-N 2.91Å; Y478-V481 PolarHBondContact O-N 3.35Å; V481-K483 VanDerWaalsContact C-N 3.27Å; V481-K483 PolarHBondContact O-N 2.82Å; V481-R484 PolarHBondContact O-N 3.22Å; V481-R484 VanDerWaalsContact O-N 3.11Å; V481-K485 PolarHBondContact O-N 3.48Å |
| 482 | S | 53.7 | Low | 58.5 | Low | 58 Ų | 58 | 114.4 Ų | 114.4 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65 | -30 | 176.7 | -154.1 | 0 | 0 | 0 | 0 | 112.8 | Y478 T486 | Y478-S482 PolarHBondContact O-N 2.84Å; S482-T486 PolarHBondContact O-OG1 2.91Å |
| 483 | K | 52.1 | Low | 55.6 | Low | 160 Ų | 160 | 120.5 Ų | 120.5 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.4 | -28.5 | 171.6 | -76.1 | -176.6 | 179 | -178.5 | 0 | 113.5 | K479 S480 V481 T486 | K479-K483 PolarHBondContact O-N 3.21Å; S480-K483 PolarHBondContact O-N 3.16Å; V481-K483 VanDerWaalsContact C-N 3.27Å; V481-K483 PolarHBondContact O-N 2.82Å; K483-T486 PolarHBondContact O-OG1 3.47Å; K483-T486 VanDerWaalsContact O-OG1 3.06Å |
| 484 | R | 48.8 | Very low | 52.7 | Low | 202 Ų | 202 | 122.6 Ų | 122.6 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.6 | -35.3 | 176.9 | -77.8 | -175.6 | -179.8 | 175.7 | 0.7 | 112.6 | S480 V481 T486 K487 | S480-R484 PolarHBondContact O-N 3.43Å; V481-R484 PolarHBondContact O-N 3.22Å; V481-R484 VanDerWaalsContact O-N 3.11Å; R484-T486 PolarHBondContact O-N 2.85Å; R484-K487 PolarHBondContact O-N 3.5Å; R484-K487 VanDerWaalsContact O-N 3.15Å |
| 485 | K | 45.7 | Very low | 50.1 | Low | 168 Ų | 168 | 128.7 Ų | 128.7 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.2 | -19.1 | 175.3 | -79.4 | -169.8 | 175.6 | -177 | 0 | 114.2 | V481 | V481-K485 PolarHBondContact O-N 3.48Å |
| 486 | T | 43.1 | Very low | 47.5 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.8 | 174.9 | 38.2 | 0 | 0 | 0 | 0 | 114.1 | S482 K483 R484 | S482-T486 PolarHBondContact O-OG1 2.91Å; K483-T486 PolarHBondContact O-OG1 3.47Å; K483-T486 VanDerWaalsContact O-OG1 3.06Å; R484-T486 PolarHBondContact O-N 2.85Å |
| 487 | K | 36.7 | Very low | 44.8 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 81% | 0.809 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -112.5 | 1.3 | 179.1 | -88.9 | -169 | 172.9 | -169.7 | 0 | 115.8 | R484 G489 | R484-K487 PolarHBondContact O-N 3.5Å; R484-K487 VanDerWaalsContact O-N 3.15Å; K487-G489 VanDerWaalsContact C-N 3.31Å; K487-G489 PolarHBondContact O-N 3.46Å |
| 488 | V | 34.2 | Very low | 42.4 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | trans | -82.5 | 83 | 170.3 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 489 | G | 31.7 | Very low | 40.1 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | -179.6 | 44 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K487 | K487-G489 VanDerWaalsContact C-N 3.31Å; K487-G489 PolarHBondContact O-N 3.46Å | ||
| 490 | T | 29.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -170.6 | 110.7 | 155.2 | 3.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 491 | L | 26.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 133 | 161.1 | -68.3 | 143.3 | 0 | 0 | 0 | 107.4 | ||||
| 492 | D | 29 | Very low | 34.6 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | 171.9 | 147.2 | 124.7 | -93.6 | -23.9 | 0 | 0 | 0 | 113.1 | |||||
| 493 | E | 31.3 | Very low | 33.6 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | 84.1 | 104.8 | 154.8 | -70.9 | 170.7 | -169.1 | 0 | 0 | 120.2 | ||||
| 494 | N | 27.8 | Very low | 32.4 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -51.4 | 129.2 | 160.4 | -68.3 | -42.8 | 0 | 0 | 0 | 112.3 | ||||
| 495 | E | 32.7 | Very low | 31.6 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -135.2 | 138.7 | 144.8 | -78.7 | -165.6 | 154.9 | 0 | 0 | 110.8 | ||||
| 496 | T | 30.8 | Very low | 30.7 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -77.8 | 152.5 | -163.9 | 40 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 497 | A | 27.1 | Very low | 29.9 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -57.6 | 140.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 498 | T | 31.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -154.9 | 131.3 | 139.8 | 21.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 499 | K | 27.3 | Very low | 29.1 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 139.6 | 170.3 | -74.4 | 173.3 | 169.9 | -179.5 | 0 | 108.6 | ||||
| 500 | D | 30.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -151.8 | 118.6 | 142.6 | -92.6 | -29.9 | 0 | 0 | 0 | 108.7 | ||||
| 501 | D | 28.6 | Very low | 28.5 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -79.1 | 158.6 | 171.1 | -81.4 | -45.9 | 0 | 0 | 0 | 110.4 | ||||
| 502 | N | 28.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | 71.3 | 103.1 | 168.1 | -82.7 | -17.5 | 0 | 0 | 0 | 118 | ||||
| 503 | N | 31.6 | Very low | 28.4 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | -156.2 | 128 | 103.1 | -145.4 | -5.8 | 0 | 0 | 0 | 112.1 | |||||
| 504 | N | 27.5 | Very low | 28.1 | Very low | 147 Ų | 147 | 151 Ų | 151 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -90.7 | 112.2 | 177.7 | -155.6 | 8.1 | 0 | 0 | 0 | 106.8 | ||||
| 505 | N | 32.6 | Very low | 28 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -151.7 | 112.2 | 161.3 | -106.8 | -15.2 | 0 | 0 | 0 | 109.1 | ||||
| 506 | G | 25.7 | Very low | 27.7 | Very low | 66 Ų | 66 | 151.1 Ų | 151.1 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -68.1 | 151.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 507 | I | 27 | Very low | 27.6 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -162.9 | 122.9 | 134.6 | -90.9 | 144.7 | 0 | 0 | 0 | 106.5 | I509 | I507-I509 HydrophobicContact CG2-CD1 4.25Å; I507-I509 HydrophobicContact CG2-CG1 3.89Å | ||
| 508 | N | 25.7 | Very low | 27.4 | Very low | 160 Ų | 160 | 159 Ų | 159 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -79.9 | 111.6 | -177 | -160.3 | -2.1 | 0 | 0 | 0 | 108.7 | ||||
| 509 | I | 27.3 | Very low | 27.1 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -116.7 | 99.4 | 176.9 | -60.7 | 179.6 | 0 | 0 | 0 | 109.2 | I507 | I507-I509 HydrophobicContact CG2-CD1 4.25Å; I507-I509 HydrophobicContact CG2-CG1 3.89Å | ||
| 510 | Q | 24.8 | Very low | 27.2 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -96.2 | 104.7 | 164.8 | -172.6 | 76.8 | 5 | 0 | 0 | 108.1 | ||||
| 511 | K | 24.5 | Very low | 26.8 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | 164.7 | 116.1 | 152.8 | -97.6 | 167.4 | -176.3 | 178.5 | 0 | 110.4 | ||||
| 512 | S | 27 | Very low | 26.7 | Very low | 108 Ų | 108 | 166.1 Ų | 166.1 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | 166.5 | 86.7 | 139.8 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 513 | L | 27.1 | Very low | 26.5 | Very low | 183 Ų | 183 | 164.9 Ų | 164.9 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -108.4 | 106.2 | 156.9 | -91.8 | 163.8 | 0 | 0 | 0 | 106.5 | ||||
| 514 | D | 24.7 | Very low | 26.3 | Very low | 125 Ų | 125 | 163.1 Ų | 163.1 | 67% | 0.668 | 81% | 0.812 | S | S | * | * | trans | -143.6 | 136.9 | -175.5 | -147.4 | 14.1 | 0 | 0 | 0 | 109 | ||||
| 515 | K | 26.1 | Very low | 26.2 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | trans | 91.1 | 132.7 | 158.5 | -57.8 | 173.1 | -177.8 | 167.7 | 0 | 121 | ||||
| 516 | K | 27 | Very low | 25.9 | Very low | 187 Ų | 187 | 166.6 Ų | 166.6 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 98.2 | 128.5 | 158.6 | -64.4 | 173.4 | 179.7 | 170.3 | 0 | 113.6 | ||||
| 517 | K | 28 | Very low | 25.8 | Very low | 194 Ų | 194 | 168.4 Ų | 168.4 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | cis | -163.8 | 153.4 | 16.5 | -115.6 | 167.5 | -178 | -177.5 | 0 | 110.3 | ||||
| 518 | K | 23.3 | Very low | 25.9 | Very low | 207 Ų | 207 | 169 Ų | 169 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -63.6 | 155.4 | 179.2 | -65.2 | 163.3 | 165.9 | 172.8 | 0 | 114.7 | ||||
| 519 | S | 24.8 | Very low | 25.8 | Very low | 109 Ų | 109 | 166 Ų | 166 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | 133 | 103.5 | 118.5 | -166.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 520 | K | 28.7 | Very low | 25.9 | Very low | 207 Ų | 207 | 166.2 Ų | 166.2 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | 176.7 | 106.3 | 117.2 | -98.8 | 175.7 | 178.9 | 174 | 0 | 110.4 | |||||
| 521 | R | 22.9 | Very low | 26 | Very low | 233 Ų | 233 | 163.2 Ų | 163.2 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -94 | 141.3 | 165.2 | -104.9 | 177.8 | 164.3 | 171.9 | -4.9 | 108.2 | ||||
| 522 | R | 25.7 | Very low | 26 | Very low | 256 Ų | 256 | 163 Ų | 163 | 97% | 0.966 | 82% | 0.82 | S | S | * | * | trans | -135 | 135.8 | 148.1 | -108.9 | -176.8 | 169 | 172.8 | -3.8 | 108.7 | ||||
| 523 | N | 24.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 165.4 Ų | 165.4 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | trans | -99.2 | 148.7 | -167.9 | -81.2 | -23.8 | 0 | 0 | 0 | 111.9 | ||||
| 524 | S | 27.7 | Very low | 26.1 | Very low | 117 Ų | 117 | 161.5 Ų | 161.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -170.5 | 104.6 | 141.1 | 49.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 525 | K | 24.5 | Very low | 26.2 | Very low | 191 Ų | 191 | 159.1 Ų | 159.1 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | 55.5 | 94.3 | 55.1 | -89.2 | -161.5 | 179.1 | -171.9 | 0 | 114.9 | |||||
| 526 | E | 27.5 | Very low | 26.2 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -164.4 | 109.3 | 138.3 | -104 | 166.3 | -168.9 | 0 | 0 | 106.6 | ||||
| 527 | S | 23.4 | Very low | 26.3 | Very low | 104 Ų | 104 | 161.9 Ų | 161.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | 80.4 | 103.9 | 88.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 528 | I | 29.3 | Very low | 26 | Very low | 168 Ų | 168 | 164.6 Ų | 164.6 | 86% | 0.862 | 83% | 0.829 | S | S | * | * | 179.7 | 127.1 | 120.3 | -85.5 | 153.6 | 0 | 0 | 0 | 109 | |||||
| 529 | S | 23.9 | Very low | 26.1 | Very low | 97 Ų | 97 | 164 Ų | 164 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 138 | -179.5 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 530 | V | 29.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 165.1 Ų | 165.1 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -126.2 | 115.4 | 151 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 531 | S | 26.8 | Very low | 26 | Very low | 106 Ų | 106 | 165.3 Ų | 165.3 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -82.9 | 149 | -175.2 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 532 | E | 24.4 | Very low | 26.1 | Very low | 195 Ų | 195 | 165.6 Ų | 165.6 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | -55.9 | 140.7 | 174.7 | -60.7 | 166.8 | 140 | 0 | 0 | 112.8 | ||||
| 533 | D | 29.2 | Very low | 26 | Very low | 158 Ų | 158 | 165.4 Ų | 165.4 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -135.9 | 155.9 | 147.7 | -159.1 | 10.3 | 0 | 0 | 0 | 110.4 | ||||
| 534 | S | 27.1 | Very low | 26 | Very low | 101 Ų | 101 | 170.2 Ų | 170.2 | 71% | 0.706 | 84% | 0.841 | S | S | * | * | trans | -127.5 | 133.5 | -135.4 | 52.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 535 | G | 25.5 | Very low | 25.8 | Very low | 76 Ų | 76 | 171.3 Ų | 171.3 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | 74.1 | 107.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 536 | R | 26.8 | Very low | 26 | Very low | 229 Ų | 229 | 173.1 Ų | 173.1 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | trans | -158.3 | 112.9 | 130.4 | -125.2 | 165.7 | -178.3 | 179.2 | -1.3 | 114.9 | ||||
| 537 | K | 28.5 | Very low | 25.8 | Very low | 190 Ų | 190 | 175.8 Ų | 175.8 | 83% | 0.826 | 85% | 0.847 | S | S | * | * | trans | 51.2 | 102.6 | 138.6 | -64.4 | -173.2 | 178 | -173.9 | 0 | 119.7 | ||||
| 538 | R | 21.5 | Very low | 26.1 | Very low | 251 Ų | 251 | 176 Ų | 176 | 95% | 0.947 | 85% | 0.848 | S | S | * | * | trans | -62.6 | 128.2 | 152.4 | -67.2 | 172.7 | 168 | -178.4 | -5.1 | 110.8 | ||||
| 539 | Q | 26.9 | Very low | 25.9 | Very low | 193 Ų | 193 | 175.4 Ų | 175.4 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -141.6 | 122.2 | 153.1 | -142 | 173.8 | 5.9 | 0 | 0 | 108.8 | ||||
| 540 | T | 24.5 | Very low | 26.2 | Very low | 133 Ų | 133 | 177.4 Ų | 177.4 | 82% | 0.816 | 85% | 0.849 | S | S | * | * | trans | -73.6 | 129.3 | -178.9 | 43.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 541 | F | 25.3 | Very low | 26.4 | Very low | 212 Ų | 212 | 176 Ų | 176 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | trans | -138.4 | 133.8 | 159.5 | -137.4 | -97.9 | 0 | 0 | 0 | 111 | ||||
| 542 | R | 25.5 | Very low | 26.6 | Very low | 238 Ų | 238 | 177.6 Ų | 177.6 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | trans | -77.5 | 146.8 | -170.3 | -80.4 | 174.4 | 160.8 | 156.3 | -7.1 | 112.4 | ||||
| 543 | R | 23.7 | Very low | 27.2 | Very low | 253 Ų | 253 | 176.7 Ų | 176.7 | 96% | 0.955 | 85% | 0.847 | S | S | * | * | trans | -35.4 | 126.3 | 163.7 | -78.4 | 172.2 | 161.2 | 149.7 | -6.8 | 113.4 | ||||
| 544 | R | 24.5 | Very low | 27.3 | Very low | 231 Ų | 231 | 176.9 Ų | 176.9 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | trans | -136.8 | 115.8 | 149.6 | -163.7 | 172.1 | -169.6 | 163.3 | 2.6 | 108 | ||||
| 545 | V | 24.6 | Very low | 27.5 | Very low | 140 Ų | 140 | 181.8 Ų | 181.8 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | trans | -62.5 | 125.4 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 546 | R | 27.1 | Very low | 27.8 | Very low | 229 Ų | 229 | 186.6 Ų | 186.6 | 86% | 0.864 | 86% | 0.857 | S | S | * | * | trans | -128.2 | 130.5 | 166.8 | -93 | -174.9 | 172.6 | 165.5 | -3 | 108.3 | ||||
| 547 | R | 24.2 | Very low | 28 | Very low | 240 Ų | 240 | 184.8 Ų | 184.8 | 91% | 0.906 | 86% | 0.858 | S | S | * | * | trans | -65.7 | 141.9 | 173.6 | -68.6 | 171.2 | 168.7 | 167.8 | -6.7 | 111 | ||||
| 548 | S | 29.4 | Very low | 27.9 | Very low | 108 Ų | 108 | 180.6 Ų | 180.6 | 76% | 0.755 | 86% | 0.859 | S | S | * | * | trans | -158 | 104.3 | 161.2 | -63.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 549 | L | 25.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 173.4 Ų | 173.4 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | 76.2 | 130 | 84 | -81.2 | 166.8 | 0 | 0 | 0 | 113.4 | |||||
| 550 | D | 30.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 170.8 Ų | 170.8 | 75% | 0.749 | 84% | 0.835 | S | S | * | * | trans | 82.2 | 103.3 | 155.6 | -54.9 | -16.6 | 0 | 0 | 0 | 119.9 | ||||
| 551 | S | 33.3 | Very low | 28.7 | Very low | 117 Ų | 117 | 169.4 Ų | 169.4 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -178 | 114.5 | 109.5 | 59 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 552 | D | 30.3 | Very low | 29 | Very low | 140 Ų | 140 | 167.2 Ų | 167.2 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | -76.1 | 144.5 | 173.4 | -55.5 | -53.8 | 0 | 0 | 0 | 111.4 | ||||
| 553 | D | 36.1 | Very low | 29.3 | Very low | 177 Ų | 177 | 161.6 Ų | 161.6 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -157.4 | 102 | 144.2 | -94.4 | -30.8 | 0 | 0 | 0 | 107.3 | ||||
| 554 | E | 31.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 123 | -179.8 | -65.5 | 178.1 | 154 | 0 | 0 | 110.3 | ||||
| 555 | E | 31.2 | Very low | 29.9 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | trans | -131.7 | 86.1 | 152.1 | -84.3 | -171.7 | 162.9 | 0 | 0 | 107.4 | ||||
| 556 | Q | 32.7 | Very low | 30 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -100.3 | 104.6 | 173.2 | -72.3 | 179.5 | 5 | 0 | 0 | 109.2 | ||||
| 557 | Q | 29.9 | Very low | 30.1 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -89.3 | 105.2 | 157 | -93 | 173.7 | -19.4 | 0 | 0 | 107.6 | ||||
| 558 | A | 27.7 | Very low | 30.2 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -79 | 115 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 559 | T | 29.5 | Very low | 30.1 | Very low | 100 Ų | 100 | 150 Ų | 150 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | trans | -130 | 111.8 | 164.5 | 51.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 560 | D | 27.6 | Very low | 30.2 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 20 | 112 | 151.6 | -55.2 | -28.9 | 0 | 0 | 0 | 117.4 | ||||
| 561 | D | 31.3 | Very low | 30.1 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 56% | 0.556 | 79% | 0.79 | S | S | * | * | trans | -82 | 122.4 | 171.8 | -64.1 | -51 | 0 | 0 | 0 | 109.8 | K690 | D561-K690 WeakPolarHBondContact OD1-CE 3.23Å; D561-K690 IonicContact OD1-NZ 2.98Å; D561-K690 PolarHBondContact OD1-NZ 3.44Å | ||
| 562 | D | 31.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -92.3 | 87.6 | 164.9 | -79 | -41.9 | 0 | 0 | 0 | 107.1 | E564 | D562-E564 PolarHBondContact O-N 3.02Š| ||
| 563 | D | 33.5 | Very low | 29.6 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | trans | -82.7 | 113.5 | -179.3 | -73.8 | -36.7 | 0 | 0 | 0 | 112 | ||||
| 564 | E | 31.2 | Very low | 29.1 | Very low | 144 Ų | 144 | 155 Ų | 155 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | trans | 20.1 | 112.6 | 140.4 | -58.1 | -175.5 | 167.6 | 0 | 0 | 118.4 | D562 E566 | D562-E564 PolarHBondContact O-N 3.02Å; E564-E566 PolarHBondContact O-N 2.99Å | ||
| 565 | E | 28.4 | Very low | 29 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 66% | 0.659 | 79% | 0.786 | S | S | * | * | trans | -77.6 | 92.9 | 165.8 | -57.9 | -167.9 | 128.9 | 0 | 0 | 109.7 | E567 R1270 | E565-E567 PolarHBondContact O-N 3.48Å; E565-R1270 IonicContact OE1-CZ 3.33Å; E565-R1270 VanDerWaalsContact OE1-CZ 3.26Å; E565-R1270 IonicContact OE1-NH1 3.94Å; E565-R1270 PolarHBondContact OE1-NH1 3.47Å; E565-R1270 IonicContact OE1-NH2 3.25Å; E565-R1270 PolarHBondContact OE1-NH2 3Å | ||
| 566 | E | 27.4 | Very low | 28.8 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 108.9 | 161.7 | -71.5 | -152 | 162.3 | 0 | 0 | 109 | E564 | E564-E566 PolarHBondContact O-N 2.99Š| ||
| 567 | E | 28.3 | Very low | 28.6 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | -74.9 | 124.6 | 170.3 | -69.7 | -169.9 | 155.6 | 0 | 0 | 109.8 | E565 Q569 | E565-E567 PolarHBondContact O-N 3.48Å; E567-Q569 PolarHBondContact O-N 3.47Å; E567-Q569 VanDerWaalsContact O-N 3.13Å | ||
| 568 | D | 26.7 | Very low | 28.6 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -56.9 | 113.7 | 171.8 | -72.8 | -49.6 | 0 | 0 | 0 | 109.7 | E570 | D568-E570 PolarHBondContact O-N 3.1Š| ||
| 569 | Q | 27.8 | Very low | 28.6 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -64.5 | 115.9 | 172 | -68 | 170 | 35.7 | 0 | 0 | 108.9 | E567 E571 | E567-Q569 PolarHBondContact O-N 3.47Å; E567-Q569 VanDerWaalsContact O-N 3.13Å; Q569-E571 PolarHBondContact O-N 2.78Å | ||
| 570 | E | 27.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -63 | 124.5 | 163.6 | -71.9 | -176 | 164 | 0 | 0 | 108.2 | D568 E572 | D568-E570 PolarHBondContact O-N 3.1Å; E570-E572 PolarHBondContact O-N 3.41Å | ||
| 571 | E | 27 | Very low | 28.5 | Very low | 200 Ų | 200 | 154.5 Ų | 154.5 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -60.8 | 93.4 | 175.6 | -67.8 | -170.2 | 167.9 | 0 | 0 | 109.8 | Q569 S573 | Q569-E571 PolarHBondContact O-N 2.78Å; E571-S573 PolarHBondContact O-N 2.77Å | ||
| 572 | E | 26.8 | Very low | 28.5 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -74.5 | 115.5 | 164.8 | -79.7 | -169.9 | 161 | 0 | 0 | 108.9 | E570 | E570-E572 PolarHBondContact O-N 3.41Š| ||
| 573 | S | 27.3 | Very low | 28.4 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -59.2 | 134 | 176.5 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | E571 D575 | E571-S573 PolarHBondContact O-N 2.77Å; S573-D575 PolarHBondContact O-N 3.41Å | ||
| 574 | D | 26 | Very low | 28.1 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -51.7 | 95.4 | 170.6 | -66.4 | -49.7 | 0 | 0 | 0 | 112.2 | ||||
| 575 | D | 29.2 | Very low | 28 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -95 | 99.5 | 158.3 | -83.4 | -30.3 | 0 | 0 | 0 | 108.3 | S573 V577 | S573-D575 PolarHBondContact O-N 3.41Å; D575-V577 WeakPolarHBondContact O-CG2 3.17Å; D575-V577 PolarHBondContact O-N 2.94Å | ||
| 576 | E | 27.5 | Very low | 28 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -56.2 | 97.1 | 164.1 | -75.6 | -178.8 | 147.3 | 0 | 0 | 109.1 | ||||
| 577 | V | 28 | Very low | 27.9 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 106.2 | 170.5 | -152.8 | 0 | 0 | 0 | 0 | 108.6 | D575 | D575-V577 WeakPolarHBondContact O-CG2 3.17Å; D575-V577 PolarHBondContact O-N 2.94Å | ||
| 578 | D | 29.4 | Very low | 27.8 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -46.7 | 136.1 | 176.2 | -88.2 | -47.2 | 0 | 0 | 0 | 112.8 | D580 | D578-D580 VanDerWaalsContact C-N 3.27Å; D578-D580 PolarHBondContact O-N 3.2Å | ||
| 579 | V | 28 | Very low | 27.8 | Very low | 143 Ų | 143 | 150 Ų | 150 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -69 | 80.1 | 176.7 | -178 | 0 | 0 | 0 | 0 | 109.3 | N581 | V579-N581 PolarHBondContact O-N 2.8Š| ||
| 580 | D | 29 | Very low | 28.1 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -87.7 | 96.2 | 171.4 | -111.3 | -10.4 | 0 | 0 | 0 | 110.7 | D578 S582 | D578-D580 VanDerWaalsContact C-N 3.27Å; D578-D580 PolarHBondContact O-N 3.2Å; D580-S582 PolarHBondContact O-N 3.39Å | ||
| 581 | N | 26.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -49.8 | 93 | 168.4 | -173.7 | 27.7 | 0 | 0 | 0 | 111.3 | V579 | V579-N581 PolarHBondContact O-N 2.8Š| ||
| 582 | S | 30.5 | Very low | 29.2 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -135.2 | 103.3 | 170.2 | 58.5 | 0 | 0 | 0 | 0 | 112 | D580 | D580-S582 PolarHBondContact O-N 3.39Š| ||
| 583 | N | 29.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | 34.8 | 111.6 | 149 | -68.1 | -20.5 | 0 | 0 | 0 | 119.5 | A585 | N583-A585 PolarHBondContact O-N 3.13Š| ||
| 584 | D | 27.4 | Very low | 30.7 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | trans | -14.7 | 97 | 151.4 | -74.3 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 585 | A | 28.7 | Very low | 32.2 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | -105.5 | 112.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | N583 V587 | N583-A585 PolarHBondContact O-N 3.13Å; A585-V587 PolarHBondContact O-N 2.84Å | ||
| 586 | N | 28.4 | Very low | 33.5 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | -34.2 | 97.5 | 175 | -84.1 | -29 | 0 | 0 | 0 | 113.3 | ||||
| 587 | V | 25.9 | Very low | 35 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | trans | -89.3 | 111.8 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | A585 L589 | A585-V587 PolarHBondContact O-N 2.84Å; V587-L589 HydrophobicContact CG1-CG 4.27Å; V587-L589 PolarHBondContact O-N 2.88Å | ||
| 588 | T | 26.3 | Very low | 36.6 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | trans | -68.7 | 71.6 | 178.3 | -45.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 589 | L | 26.8 | Very low | 38.4 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 69% | 0.686 | 65% | 0.651 | S | S | * | * | trans | -65.9 | 135.2 | 166.4 | -77.1 | 161.6 | 0 | 0 | 0 | 107.9 | V587 P591 | V587-L589 HydrophobicContact CG1-CG 4.27Å; V587-L589 PolarHBondContact O-N 2.88Å; L589-P591 WeakPolarHBondContact O-CD 3.48Å; L589-P591 VanDerWaalsContact O-N 3.11Å | ||
| 590 | C | 34.5 | Very low | 40.1 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | trans | -48.8 | 119.2 | -179.3 | -159.4 | 0 | 0 | 0 | 0 | 109.4 | T592 A593 | C590-T592 PolarHBondContact O-N 3.46Å; C590-A593 PolarHBondContact O-N 2.92Å | ||
| 591 | P | 33.8 | Very low | 41.8 | Very low | 90 Ų | 90 | 97.7 Ų | 97.7 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -11.4 | -170.6 | -23.1 | 30.3 | 0 | 0 | 0 | 114.6 | L589 L595 | L589-P591 WeakPolarHBondContact O-CD 3.48Å; L589-P591 VanDerWaalsContact O-N 3.11Å; P591-L595 WeakPolarHBondContact O-CB 3.35Å; P591-L595 PolarHBondContact O-N 3.1Å |
| 592 | T | 42.9 | Very low | 43.7 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.7 | -37.7 | -179.1 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | C590 L595 D596 | C590-T592 PolarHBondContact O-N 3.46Å; T592-L595 WeakPolarHBondContact O-CB 3.2Å; T592-L595 PolarHBondContact O-N 3.07Å; T592-D596 WeakPolarHBondContact O-CB 3.5Å; T592-D596 VanDerWaalsContact O-CG 3.31Å; T592-D596 PolarHBondContact O-N 2.99Å |
| 593 | A | 42.3 | Very low | 45.4 | Very low | 58 Ų | 58 | 92.7 Ų | 92.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C590 A597 | C590-A593 PolarHBondContact O-N 2.92Å; A593-A597 PolarHBondContact O-N 3.22Å; A593-A597 VanDerWaalsContact O-N 3.12Å |
| 594 | E | 45 | Very low | 46.9 | Very low | 150 Ų | 150 | 85.5 Ų | 85.5 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.4 | -37.3 | 174.1 | -70 | -173.1 | 165.9 | 0 | 0 | 111.6 | D596 A597 A598 | E594-D596 VanDerWaalsContact C-N 3.35Å; E594-A597 PolarHBondContact O-N 3.04Å; E594-A598 VanDerWaalsContact O-CB 3.31Å; E594-A598 WeakPolarHBondContact O-CB 3.19Å; E594-A598 PolarHBondContact O-N 3.15Å |
| 595 | L | 56.3 | Low | 48.6 | Very low | 118 Ų | 118 | 79.8 Ų | 79.8 | 62% | 0.618 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 173.9 | -108.5 | 153.5 | 0 | 0 | 0 | 111.8 | P591 T592 A598 A599 | P591-L595 WeakPolarHBondContact O-CB 3.35Å; P591-L595 PolarHBondContact O-N 3.1Å; T592-L595 WeakPolarHBondContact O-CB 3.2Å; T592-L595 PolarHBondContact O-N 3.07Å; L595-A598 PolarHBondContact O-N 3.41Å; L595-A599 VanDerWaalsContact O-CB 3.23Å; L595-A599 WeakPolarHBondContact O-CB 3.31Å; L595-A599 PolarHBondContact O-N 3.41Å |
| 596 | D | 57 | Low | 50.4 | Low | 79 Ų | 79 | 81.9 Ų | 81.9 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 179.4 | -77.5 | -29.4 | 0 | 0 | 0 | 112.1 | T592 E594 A599 A600 | T592-D596 WeakPolarHBondContact O-CB 3.5Å; T592-D596 VanDerWaalsContact O-CG 3.31Å; T592-D596 PolarHBondContact O-N 2.99Å; E594-D596 VanDerWaalsContact C-N 3.35Å; D596-A599 PolarHBondContact O-N 3.28Å; D596-A600 WeakPolarHBondContact O-CB 3.48Å; D596-A600 PolarHBondContact O-N 3.4Å |
| 597 | A | 58.3 | Low | 52.1 | Low | 15 Ų | 15 | 75.9 Ų | 75.9 | 12% | 0.124 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L452 A593 E594 A600 L601 | L452-A597 HydrophobicContact CD2-CB 4.23Å; L452-A597 WeakPolarHBondContact CD2-O 3.44Å; A593-A597 PolarHBondContact O-N 3.22Å; A593-A597 VanDerWaalsContact O-N 3.12Å; E594-A597 PolarHBondContact O-N 3.04Å; A597-A600 PolarHBondContact O-N 2.65Å; A597-L601 VanDerWaalsContact O-CB 3.22Å; A597-L601 WeakPolarHBondContact O-CB 3.32Å; A597-L601 PolarHBondContact O-N 3.23Å |
| 598 | A | 62.6 | Low | 53.8 | Low | 49 Ų | 49 | 70.3 Ų | 70.3 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E594 L595 L601 E602 | E594-A598 VanDerWaalsContact O-CB 3.31Å; E594-A598 WeakPolarHBondContact O-CB 3.19Å; E594-A598 PolarHBondContact O-N 3.15Å; L595-A598 PolarHBondContact O-N 3.41Å; A598-L601 WeakPolarHBondContact O-CB 3.42Å; A598-L601 PolarHBondContact O-N 3.49Å; A598-E602 WeakPolarHBondContact O-CG 3.37Å; A598-E602 PolarHBondContact O-N 3.36Å |
| 599 | A | 67.4 | Low | 55.5 | Low | 49 Ų | 49 | 65.7 Ų | 65.7 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L595 D596 L601 E602 A603 | L595-A599 VanDerWaalsContact O-CB 3.23Å; L595-A599 WeakPolarHBondContact O-CB 3.31Å; L595-A599 PolarHBondContact O-N 3.41Å; D596-A599 PolarHBondContact O-N 3.28Å; A599-L601 VanDerWaalsContact C-N 3.26Å; A599-L601 PolarHBondContact O-N 3.27Å; A599-E602 PolarHBondContact O-N 3.14Å; A599-A603 VanDerWaalsContact O-CB 3.26Å; A599-A603 WeakPolarHBondContact O-CB 3.37Å; A599-A603 PolarHBondContact O-N 3.46Å |
| 600 | A | 63.1 | Low | 57.2 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K451 L452 D596 A597 A604 | K451-A600 HydrophobicContact CB-CB 3.96Å; K451-A600 HydrophobicContact CD-CB 4.13Å; L452-A600 HydrophobicContact CD2-CB 4.35Å; L452-A600 HydrophobicContact CG-CB 4.32Å; D596-A600 WeakPolarHBondContact O-CB 3.48Å; D596-A600 PolarHBondContact O-N 3.4Å; A597-A600 PolarHBondContact O-N 2.65Å; A600-A604 WeakPolarHBondContact O-CB 3.39Å; A600-A604 PolarHBondContact O-N 3.02Å |
| 601 | L | 63.8 | Low | 58.4 | Low | 39 Ų | 39 | 61.6 Ų | 61.6 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 176.4 | -171.5 | 70.2 | 0 | 0 | 0 | 112.4 | L452 V460 A597 A598 A599 A603 A604 I605 | L452-L601 HydrophobicContact CD1-CD1 3.91Å; L452-L601 HydrophobicContact CD2-CB 4.35Å; V460-L601 HydrophobicContact CB-CD1 3.97Å; V460-L601 HydrophobicContact CG1-CD1 3.93Å; V460-L601 HydrophobicContact CG2-CD1 3.61Å; V460-L601 HydrophobicContact CG2-CD2 3.55Å; V460-L601 HydrophobicContact CG2-CG 4.15Å; A597-L601 VanDerWaalsContact O-CB 3.22Å; A597-L601 WeakPolarHBondContact O-CB 3.32Å; A597-L601 PolarHBondContact O-N 3.23Å; A598-L601 WeakPolarHBondContact O-CB 3.42Å; A598-L601 PolarHBondContact O-N 3.49Å; A599-L601 VanDerWaalsContact C-N 3.26Å; A599-L601 PolarHBondContact O-N 3.27Å; L601-A603 VanDerWaalsContact C-N 3.33Å; L601-A603 PolarHBondContact O-N 3.31Å; L601-A604 WeakPolarHBondContact O-CB 3.39Å; L601-A604 PolarHBondContact O-N 3.02Å; L601-I605 HydrophobicContact CG-CD1 4.22Å; L601-I605 WeakPolarHBondContact O-CG1 3.46Å; L601-I605 PolarHBondContact O-N 3.45Å |
| 602 | E | 66.2 | Low | 59.5 | Low | 123 Ų | 123 | 57.4 Ų | 57.4 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 173.4 | -76.4 | -172.8 | 169.2 | 0 | 0 | 110.7 | A598 A599 A604 I605 H606 | A598-E602 WeakPolarHBondContact O-CG 3.37Å; A598-E602 PolarHBondContact O-N 3.36Å; A599-E602 PolarHBondContact O-N 3.14Å; E602-A604 VanDerWaalsContact C-N 3.3Å; E602-A604 PolarHBondContact O-N 3.32Å; E602-I605 PolarHBondContact O-N 3.06Å; E602-H606 WeakPolarHBondContact O-CB 3.45Å; E602-H606 PolarHBondContact O-CD2 2.89Å; E602-H606 PolarHBondContact O-N 2.99Å |
| 603 | A | 67.1 | Low | 60 | Low | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P448 A599 L601 S607 | P448-A603 HydrophobicContact CB-CB 4.13Å; A599-A603 VanDerWaalsContact O-CB 3.26Å; A599-A603 WeakPolarHBondContact O-CB 3.37Å; A599-A603 PolarHBondContact O-N 3.46Å; L601-A603 VanDerWaalsContact C-N 3.33Å; L601-A603 PolarHBondContact O-N 3.31Å; A603-S607 VanDerWaalsContact O-CB 3.3Å; A603-S607 WeakPolarHBondContact O-CB 3.45Å; A603-S607 PolarHBondContact O-N 3.34Å; A603-S607 PolarHBondContact O-OG 3.36Å |
| 604 | A | 61.6 | Low | 60.4 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A449 A600 L601 E602 S607 A608 Y665 | A449-A604 HydrophobicContact CB-CB 4.29Å; A600-A604 WeakPolarHBondContact O-CB 3.39Å; A600-A604 PolarHBondContact O-N 3.02Å; L601-A604 WeakPolarHBondContact O-CB 3.39Å; L601-A604 PolarHBondContact O-N 3.02Å; E602-A604 VanDerWaalsContact C-N 3.3Å; E602-A604 PolarHBondContact O-N 3.32Å; A604-S607 PolarHBondContact O-N 2.9Å; A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.08Å; A604-Y665 HydrophobicContact CB-CE1 4.03Å; A604-Y665 WeakPolarHBondContact O-CE1 3.49Å |
| 605 | I | 62.7 | Low | 60.5 | Low | 59 Ų | 59 | 52.4 Ų | 52.4 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 177.8 | -66 | 166.7 | 0 | 0 | 0 | 111.3 | L601 E602 A608 A609 | L601-I605 HydrophobicContact CG-CD1 4.22Å; L601-I605 WeakPolarHBondContact O-CG1 3.46Å; L601-I605 PolarHBondContact O-N 3.45Å; E602-I605 PolarHBondContact O-N 3.06Å; I605-A608 WeakPolarHBondContact O-CB 3.28Å; I605-A608 PolarHBondContact O-N 3.18Å; I605-A609 WeakPolarHBondContact O-CB 3.35Å; I605-A609 PolarHBondContact O-N 3.39Å |
| 606 | H | 66.1 | Low | 59.9 | Low | 132 Ų | 132 | 50.1 Ų | 50.1 | 61% | 0.611 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 176.3 | -82.9 | -66.8 | 0 | 0 | 0 | 111.9 | E602 A608 A609 A610 | E602-H606 WeakPolarHBondContact O-CB 3.45Å; E602-H606 PolarHBondContact O-CD2 2.89Å; E602-H606 PolarHBondContact O-N 2.99Å; H606-A608 VanDerWaalsContact C-N 3.33Å; H606-A608 PolarHBondContact O-N 3.34Å; H606-A609 PolarHBondContact O-N 3.33Å; H606-A610 PolarHBondContact O-N 3.46Å |
| 607 | S | 64.8 | Low | 58.8 | Low | 39 Ų | 39 | 53.5 Ų | 53.5 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.7 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | A603 A604 A609 A610 V611 Y665 | A603-S607 VanDerWaalsContact O-CB 3.3Å; A603-S607 WeakPolarHBondContact O-CB 3.45Å; A603-S607 PolarHBondContact O-N 3.34Å; A603-S607 PolarHBondContact O-OG 3.36Å; A604-S607 PolarHBondContact O-N 2.9Å; S607-A609 VanDerWaalsContact C-N 3.33Å; S607-A609 PolarHBondContact O-N 3.5Å; S607-A610 PolarHBondContact O-N 2.86Å; S607-V611 WeakPolarHBondContact O-CG2 3.46Å; S607-V611 PolarHBondContact O-N 2.84Å; S607-Y665 WeakPolarHBondContact CB-OH 3.35Å |
| 608 | A | 61.4 | Low | 57.8 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A604 I605 H606 A612 C662 Y665 | A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.08Å; I605-A608 WeakPolarHBondContact O-CB 3.28Å; I605-A608 PolarHBondContact O-N 3.18Å; H606-A608 VanDerWaalsContact C-N 3.33Å; H606-A608 PolarHBondContact O-N 3.34Å; A608-A612 WeakPolarHBondContact O-CB 3.48Å; A608-A612 PolarHBondContact O-N 2.75Å; A608-C662 HydrophobicContact CB-CB 4.24Å; A608-Y665 HydrophobicContact CB-CD1 3.4Å; A608-Y665 HydrophobicContact CB-CD2 4.28Å; A608-Y665 HydrophobicContact CB-CE1 4.06Å; A608-Y665 HydrophobicContact CB-CG 3.56Å |
| 609 | A | 61.6 | Low | 56.2 | Low | 40 Ų | 40 | 63.5 Ų | 63.5 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I605 H606 S607 A612 A613 | I605-A609 WeakPolarHBondContact O-CB 3.35Å; I605-A609 PolarHBondContact O-N 3.39Å; H606-A609 PolarHBondContact O-N 3.33Å; S607-A609 VanDerWaalsContact C-N 3.33Å; S607-A609 PolarHBondContact O-N 3.5Å; A609-A612 WeakPolarHBondContact O-CB 3.37Å; A609-A612 PolarHBondContact O-N 2.86Å; A609-A613 PolarHBondContact O-N 3.25Å |
| 610 | A | 62.2 | Low | 54.3 | Low | 64 Ų | 64 | 66.8 Ų | 66.8 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H606 S607 A612 A613 G614 | H606-A610 PolarHBondContact O-N 3.46Å; S607-A610 PolarHBondContact O-N 2.86Å; A610-A612 VanDerWaalsContact C-N 3.26Å; A610-A612 PolarHBondContact O-N 2.85Å; A610-A613 PolarHBondContact O-N 3.03Å; A610-G614 PolarHBondContact O-N 3.21Å; A610-G614 VanDerWaalsContact O-N 3.15Å |
| 611 | V | 60.3 | Low | 52.6 | Low | 70 Ų | 70 | 71.6 Ų | 71.6 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | I408 S607 G614 S615 | I408-V611 HydrophobicContact CD1-CG2 3.69Å; S607-V611 WeakPolarHBondContact O-CG2 3.46Å; S607-V611 PolarHBondContact O-N 2.84Å; V611-G614 PolarHBondContact O-N 3.17Å; V611-S615 PolarHBondContact O-N 3.02Å |
| 612 | A | 56.7 | Low | 50.9 | Low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.008 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A608 A609 A610 G614 S615 V616 R658 A661 | A608-A612 WeakPolarHBondContact O-CB 3.48Å; A608-A612 PolarHBondContact O-N 2.75Å; A609-A612 WeakPolarHBondContact O-CB 3.37Å; A609-A612 PolarHBondContact O-N 2.86Å; A610-A612 VanDerWaalsContact C-N 3.26Å; A610-A612 PolarHBondContact O-N 2.85Å; A612-G614 VanDerWaalsContact C-N 3.28Å; A612-G614 PolarHBondContact O-N 3.17Å; A612-S615 PolarHBondContact O-N 3.48Å; A612-V616 PolarHBondContact O-N 3.13Å; A612-R658 HydrophobicContact CB-CB 4.05Å; A612-R658 HydrophobicContact CB-CG 3.67Å; A612-A661 HydrophobicContact CB-CB 3.79Å |
| 613 | A | 54 | Low | 48.9 | Very low | 64 Ų | 64 | 78.8 Ų | 78.8 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A609 A610 S615 V616 | A609-A613 PolarHBondContact O-N 3.25Å; A610-A613 PolarHBondContact O-N 3.03Å; A613-S615 VanDerWaalsContact C-N 3.25Å; A613-S615 PolarHBondContact O-N 2.97Å; A613-V616 PolarHBondContact O-N 2.83Å |
| 614 | G | 50.4 | Low | 47 | Very low | 52 Ų | 52 | 83.7 Ų | 83.7 | 54% | 0.536 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -24 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A610 V611 A612 | A610-G614 PolarHBondContact O-N 3.21Å; A610-G614 VanDerWaalsContact O-N 3.15Å; V611-G614 PolarHBondContact O-N 3.17Å; A612-G614 VanDerWaalsContact C-N 3.28Å; A612-G614 PolarHBondContact O-N 3.17Å |
| 615 | S | 47.9 | Very low | 45.4 | Very low | 69 Ų | 69 | 90.9 Ų | 90.9 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -86 | -20.3 | 179.6 | -166.4 | 0 | 0 | 0 | 0 | 114 | V611 A612 A613 | V611-S615 PolarHBondContact O-N 3.02Å; A612-S615 PolarHBondContact O-N 3.48Å; A613-S615 VanDerWaalsContact C-N 3.25Å; A613-S615 PolarHBondContact O-N 2.97Å |
| 616 | V | 42.2 | Very low | 43.7 | Very low | 69 Ų | 69 | 93.9 Ų | 93.9 | 42% | 0.418 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -83.2 | -22.3 | -175.3 | 177.4 | 0 | 0 | 0 | 0 | 112.7 | A612 A613 N618 V657 | A612-V616 PolarHBondContact O-N 3.13Å; A613-V616 PolarHBondContact O-N 2.83Å; V616-N618 PolarHBondContact O-N 3.15Å; V616-V657 HydrophobicContact CG2-CG1 4.4Å |
| 617 | N | 34.7 | Very low | 41.8 | Very low | 150 Ų | 150 | 94.8 Ų | 94.8 | 80% | 0.802 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 10.7 | 179.2 | -95.3 | 3.5 | 0 | 0 | 0 | 115.6 | ||
| 618 | N | 37.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 96.2 Ų | 96.2 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 14.8 | -179.7 | -81 | -22.9 | 0 | 0 | 0 | 115.3 | V616 P620 | V616-N618 PolarHBondContact O-N 3.15Å; N618-P620 WeakPolarHBondContact O-CD 3.23Å |
| 619 | N | 28.2 | Very low | 38.4 | Very low | 152 Ų | 152 | 104.3 Ų | 104.3 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | trans | -105.8 | 106.9 | 171.7 | -98.3 | -7.4 | 0 | 0 | 0 | 111.6 | S621 | N619-S621 PolarHBondContact O-N 2.94Š| ||
| 620 | P | 28.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | trans | -87 | 92.8 | 176.3 | 33.7 | -28.6 | 0 | 0 | 0 | 109.6 | N618 | N618-P620 WeakPolarHBondContact O-CD 3.23Š| ||
| 621 | S | 26.8 | Very low | 35 | Very low | 106 Ų | 106 | 109.8 Ų | 109.8 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | trans | 159.3 | 109 | 154.1 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | N619 | N619-S621 PolarHBondContact O-N 2.94Š| ||
| 622 | V | 28.7 | Very low | 33.4 | Very low | 116 Ų | 116 | 110 Ų | 110 | 70% | 0.703 | 69% | 0.692 | S | S | * | * | -178.6 | 92.9 | 128.2 | 174.1 | 0 | 0 | 0 | 0 | 104.7 | N624 | V622-N624 HydrophobicContact CG1-CB 4.5Å; V622-N624 PolarHBondContact O-N 3.14Å | |||
| 623 | E | 24.7 | Very low | 32 | Very low | 196 Ų | 196 | 117.4 Ų | 117.4 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -60.1 | 110.4 | 160.9 | -69.9 | 172.9 | 148.9 | 0 | 0 | 107.9 | ||||
| 624 | N | 27.3 | Very low | 31 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -115.1 | 92.5 | 166.6 | -95.5 | -9 | 0 | 0 | 0 | 109 | V622 C626 | V622-N624 HydrophobicContact CG1-CB 4.5Å; V622-N624 PolarHBondContact O-N 3.14Å; N624-C626 PolarHBondContact O-N 2.99Å | ||
| 625 | N | 26.5 | Very low | 29.9 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -56.9 | 106.5 | 157.8 | -106.9 | -16.5 | 0 | 0 | 0 | 109.2 | ||||
| 626 | C | 27.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -113.6 | 92.8 | 162.8 | -78.2 | 0 | 0 | 0 | 0 | 108.5 | N624 | N624-C626 PolarHBondContact O-N 2.99Š| ||
| 627 | I | 26.3 | Very low | 28.1 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -78.3 | 134.8 | 166.4 | -69.1 | 170.8 | 0 | 0 | 0 | 107.9 | ||||
| 628 | G | 25.2 | Very low | 27.8 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -63.3 | 143.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 629 | I | 28.9 | Very low | 27.5 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -123.5 | 102.6 | 158.8 | -60 | -179.8 | 0 | 0 | 0 | 106.4 | ||||
| 630 | T | 25.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -80.5 | 126.8 | 165.1 | 43.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 631 | G | 27.9 | Very low | 28.2 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 162.3 | 107.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 632 | G | 28 | Very low | 28.7 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 81.8 | 104.6 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 633 | N | 26.7 | Very low | 29.5 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 14.7 | 117.8 | 137.2 | -59.5 | -3.9 | 0 | 0 | 0 | 117.7 | ||||
| 634 | D | 33 | Very low | 30.9 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | -164.4 | 140.4 | 116.3 | -99.2 | -25.8 | 0 | 0 | 0 | 111.7 | |||||
| 635 | L | 26.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -79.6 | 148.1 | -178.8 | -119.4 | 86.5 | 0 | 0 | 0 | 110.2 | ||||
| 636 | M | 25.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | 88.7 | 137.2 | 159.2 | -57.1 | -66 | -138.3 | 0 | 0 | 119.4 | ||||
| 637 | T | 27.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 82.1 | 98.4 | 157.6 | 51.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 638 | E | 28.5 | Very low | 39 | Very low | 185 Ų | 185 | 117.8 Ų | 117.8 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | 50.7 | 77.4 | 127.7 | -61.8 | -171 | 169.2 | 0 | 0 | 118.3 | |||||
| 639 | S | 30.6 | Very low | 41.5 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -165 | 91.5 | 134.1 | 0.7 | 0 | 0 | 0 | 0 | 108.2 | P641 | S639-P641 VanDerWaalsContact O-CD 3.29Å; S639-P641 WeakPolarHBondContact O-CD 3.38Å | ||
| 640 | S | 31.7 | Very low | 43.8 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -56.4 | 116.3 | 168.5 | -58.7 | 0 | 0 | 0 | 0 | 107.8 | L642 | S640-L642 PolarHBondContact O-N 3.34Š| ||
| 641 | P | 39.6 | Very low | 46.5 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 78% | 0.779 | 65% | 0.652 | S | S | * | * | trans | -65.3 | 127.6 | -175.7 | 26.1 | -31 | 0 | 0 | 0 | 107.1 | S639 R643 | S639-P641 VanDerWaalsContact O-CD 3.29Å; S639-P641 WeakPolarHBondContact O-CD 3.38Å; P641-R643 VanDerWaalsContact C-N 3.3Å; P641-R643 PolarHBondContact O-N 2.77Å | ||
| 642 | L | 37.9 | Very low | 49.2 | Very low | 176 Ų | 176 | 108.2 Ų | 108.2 | 92% | 0.921 | 62% | 0.62 | S | S | * | * | trans | -48.6 | 92.9 | 175.3 | -67.1 | 158.9 | 0 | 0 | 0 | 109.3 | S640 S644 | S640-L642 PolarHBondContact O-N 3.34Å; L642-S644 PolarHBondContact O-N 3.49Å | ||
| 643 | R | 44.9 | Very low | 51.8 | Low | 164 Ų | 164 | 107 Ų | 107 | 62% | 0.619 | 60% | 0.598 | S | S | * | * | trans | -53.6 | 117.2 | 166.1 | -174.1 | 174.9 | -175.3 | 178 | 0.5 | 105.1 | P641 T645 V647 | P641-R643 VanDerWaalsContact C-N 3.3Å; P641-R643 PolarHBondContact O-N 2.77Å; R643-T645 PolarHBondContact O-N 2.96Å; R643-V647 HydrophobicContact CG-CB 4.4Å; R643-V647 HydrophobicContact CG-CG1 4.39Å | ||
| 644 | S | 55.2 | Low | 54.3 | Low | 54 Ų | 54 | 101 Ų | 101 | 38% | 0.378 | 57% | 0.57 | S | S | . | * | trans | -54 | 138.9 | -171.2 | 99.8 | 0 | 0 | 0 | 0 | 108.9 | L642 S646 V647 A648 | L642-S644 PolarHBondContact O-N 3.49Å; S644-S646 PolarHBondContact O-N 2.91Å; S644-S646 PolarHBondContact OG-N 2.93Å; S644-S646 PolarHBondContact OG-OG 3.3Å; S644-V647 PolarHBondContact O-N 3.29Å; S644-V647 PolarHBondContact OG-N 2.86Å; S644-A648 PolarHBondContact O-N 3.34Å | ||
| 645 | T | 62.1 | Low | 56.8 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.3 | -26.5 | -179 | -47.8 | 0 | 0 | 0 | 0 | 111.5 | Y478 R643 Q649 | Y478-T645 HydrophobicContact CE1-CG2 4.3Å; R643-T645 PolarHBondContact O-N 2.96Å; T645-Q649 WeakPolarHBondContact O-CB 3.34Å; T645-Q649 PolarHBondContact O-N 3.2Å |
| 646 | S | 69.4 | Low | 59.6 | Low | 73 Ų | 73 | 87.4 Ų | 87.4 | 51% | 0.51 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 175.4 | 69 | 0 | 0 | 0 | 0 | 112.8 | S644 A648 Q649 T650 | S644-S646 PolarHBondContact O-N 2.91Å; S644-S646 PolarHBondContact OG-N 2.93Å; S644-S646 PolarHBondContact OG-OG 3.3Å; S646-A648 VanDerWaalsContact C-N 3.35Å; S646-A648 PolarHBondContact O-N 3.18Å; S646-Q649 PolarHBondContact O-N 2.99Å; S646-T650 PolarHBondContact O-N 2.83Å; S646-T650 PolarHBondContact O-OG1 3.1Å |
| 647 | V | 70.8 | Confident | 62.4 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.1 | 178 | 0 | 0 | 0 | 0 | 110.8 | R643 S644 T650 Q651 | R643-V647 HydrophobicContact CG-CB 4.4Å; R643-V647 HydrophobicContact CG-CG1 4.39Å; S644-V647 PolarHBondContact O-N 3.29Å; S644-V647 PolarHBondContact OG-N 2.86Å; V647-T650 PolarHBondContact O-N 3.47Å; V647-Q651 WeakPolarHBondContact O-CB 3.19Å; V647-Q651 PolarHBondContact O-N 2.92Å |
| 648 | A | 74.5 | Confident | 64.9 | Low | 26 Ų | 26 | 82.6 Ų | 82.6 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S644 S646 Q651 L652 | S644-A648 PolarHBondContact O-N 3.34Å; S646-A648 VanDerWaalsContact C-N 3.35Å; S646-A648 PolarHBondContact O-N 3.18Å; A648-Q651 PolarHBondContact O-N 3.27Å; A648-L652 WeakPolarHBondContact O-CB 3.15Å; A648-L652 PolarHBondContact O-N 3.4Å |
| 649 | Q | 77.4 | Confident | 67.7 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 175.6 | -176.5 | 178.3 | -9.6 | 0 | 0 | 111.9 | T645 S646 Q651 L652 T653 | T645-Q649 WeakPolarHBondContact O-CB 3.34Å; T645-Q649 PolarHBondContact O-N 3.2Å; S646-Q649 PolarHBondContact O-N 2.99Å; Q649-Q651 VanDerWaalsContact C-N 3.33Å; Q649-Q651 PolarHBondContact O-N 3.31Å; Q649-L652 PolarHBondContact O-N 2.87Å; Q649-T653 WeakPolarHBondContact O-CG2 3.29Å; Q649-T653 PolarHBondContact O-N 2.85Å; Q649-T653 PolarHBondContact O-OG1 3.48Å |
| 650 | T | 76.2 | Confident | 70.3 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | S646 V647 T653 A654 | S646-T650 PolarHBondContact O-N 2.83Å; S646-T650 PolarHBondContact O-OG1 3.1Å; V647-T650 PolarHBondContact O-N 3.47Å; T650-T653 VanDerWaalsContact C-OG1 3.3Å; T650-T653 VanDerWaalsContact CA-OG1 3.29Å; T650-T653 WeakPolarHBondContact CA-OG1 3.44Å; T650-T653 PolarHBondContact O-N 3.05Å; T650-T653 PolarHBondContact O-OG1 2.65Å; T650-A654 PolarHBondContact O-N 3.4Å |
| 651 | Q | 82 | Confident | 72.5 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 174.6 | -175.8 | 62.2 | 41.6 | 0 | 0 | 111.6 | V647 A648 Q649 T653 A654 D655 | V647-Q651 WeakPolarHBondContact O-CB 3.19Å; V647-Q651 PolarHBondContact O-N 2.92Å; A648-Q651 PolarHBondContact O-N 3.27Å; Q649-Q651 VanDerWaalsContact C-N 3.33Å; Q649-Q651 PolarHBondContact O-N 3.31Å; Q651-T653 VanDerWaalsContact C-N 3.3Å; Q651-T653 PolarHBondContact O-N 2.94Å; Q651-A654 WeakPolarHBondContact O-CB 3.48Å; Q651-A654 PolarHBondContact O-N 3.22Å; Q651-A654 VanDerWaalsContact O-N 3.08Å; Q651-D655 PolarHBondContact NE2-OD1 3.13Å; Q651-D655 PolarHBondContact O-N 2.93Å |
| 652 | L | 85 | Confident | 74.5 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 178.6 | -177.4 | 61.7 | 0 | 0 | 0 | 112 | L471 L474 L475 Y478 A648 Q649 D655 V656 | L471-L652 HydrophobicContact CD2-CD1 4.07Å; L474-L652 HydrophobicContact CB-CD1 4.49Å; L474-L652 HydrophobicContact CB-CD2 4.25Å; L475-L652 HydrophobicContact CB-CD2 4.04Å; L475-L652 HydrophobicContact CB-CG 4.24Å; L475-L652 HydrophobicContact CD1-CD2 4.03Å; L475-L652 HydrophobicContact CD1-CG 4.09Å; Y478-L652 HydrophobicContact CD2-CD2 3.88Å; Y478-L652 HydrophobicContact CE2-CD2 4.45Å; Y478-L652 HydrophobicContact CG-CD2 4.36Å; A648-L652 WeakPolarHBondContact O-CB 3.15Å; A648-L652 PolarHBondContact O-N 3.4Å; Q649-L652 PolarHBondContact O-N 2.87Å; L652-D655 PolarHBondContact O-N 3.25Å; L652-V656 WeakPolarHBondContact O-CG2 3.46Å; L652-V656 PolarHBondContact O-N 2.92Å |
| 653 | T | 82.2 | Confident | 76.7 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.4 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | L475 Q649 T650 Q651 V656 V657 | L475-T653 HydrophobicContact CD1-CG2 3.55Å; L475-T653 HydrophobicContact CD2-CG2 4.11Å; L475-T653 HydrophobicContact CG-CG2 4.49Å; Q649-T653 WeakPolarHBondContact O-CG2 3.29Å; Q649-T653 PolarHBondContact O-N 2.85Å; Q649-T653 PolarHBondContact O-OG1 3.48Å; T650-T653 VanDerWaalsContact C-OG1 3.3Å; T650-T653 VanDerWaalsContact CA-OG1 3.29Å; T650-T653 WeakPolarHBondContact CA-OG1 3.44Å; T650-T653 PolarHBondContact O-N 3.05Å; T650-T653 PolarHBondContact O-OG1 2.65Å; Q651-T653 VanDerWaalsContact C-N 3.3Å; Q651-T653 PolarHBondContact O-N 2.94Å; T653-V656 PolarHBondContact O-N 3.14Å; T653-V657 VanDerWaalsContact O-CG2 3.31Å; T653-V657 WeakPolarHBondContact O-CG2 3.48Å; T653-V657 PolarHBondContact O-N 2.67Å |
| 654 | A | 80.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T650 Q651 V657 R658 | T650-A654 PolarHBondContact O-N 3.4Å; Q651-A654 WeakPolarHBondContact O-CB 3.48Å; Q651-A654 PolarHBondContact O-N 3.22Å; Q651-A654 VanDerWaalsContact O-N 3.08Å; A654-V657 PolarHBondContact O-N 3.09Å; A654-R658 WeakPolarHBondContact O-CB 3.42Å; A654-R658 PolarHBondContact O-N 3.03Å |
| 655 | D | 85.5 | Confident | 79.5 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.4 | -71.5 | -34.4 | 0 | 0 | 0 | 112.3 | Q651 L652 R658 Q659 | Q651-D655 PolarHBondContact NE2-OD1 3.13Å; Q651-D655 PolarHBondContact O-N 2.93Å; L652-D655 PolarHBondContact O-N 3.25Å; D655-R658 PolarHBondContact O-N 3.32Å; D655-R658 IonicContact OD1-CZ 2.63Å; D655-R658 IonicContact OD1-NE 2.68Å; D655-R658 IonicContact OD1-NH2 3.69Å; D655-R658 PolarHBondContact OD1-NH2 3.42Å; D655-Q659 WeakPolarHBondContact O-CB 3.49Å; D655-Q659 PolarHBondContact O-N 3.46Å |
| 656 | V | 86 | Confident | 80.4 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 111 | L468 L471 E472 L475 L652 T653 R658 Q659 R660 | L468-V656 HydrophobicContact CD1-CG1 4.29Å; L471-V656 HydrophobicContact CB-CG2 3.77Å; E472-V656 HydrophobicContact CG-CG1 3.95Å; L475-V656 HydrophobicContact CB-CG2 4.31Å; L475-V656 HydrophobicContact CD2-CB 4.48Å; L475-V656 HydrophobicContact CD2-CG2 4.12Å; L652-V656 WeakPolarHBondContact O-CG2 3.46Å; L652-V656 PolarHBondContact O-N 2.92Å; T653-V656 PolarHBondContact O-N 3.14Å; V656-R658 VanDerWaalsContact C-N 3.33Å; V656-R658 PolarHBondContact O-N 3.28Å; V656-Q659 PolarHBondContact O-N 3.08Å; V656-R660 HydrophobicContact CG1-CG 4.38Å; V656-R660 WeakPolarHBondContact O-CB 3.25Å; V656-R660 VanDerWaalsContact O-CG 3.31Å; V656-R660 WeakPolarHBondContact O-CG 3.42Å; V656-R660 PolarHBondContact O-N 3.34Å |
| 657 | V | 82.2 | Confident | 81 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 111 | V616 T653 A654 R660 A661 | V616-V657 HydrophobicContact CG2-CG1 4.4Å; T653-V657 VanDerWaalsContact O-CG2 3.31Å; T653-V657 WeakPolarHBondContact O-CG2 3.48Å; T653-V657 PolarHBondContact O-N 2.67Å; A654-V657 PolarHBondContact O-N 3.09Å; V657-R660 PolarHBondContact O-N 2.76Å; V657-A661 PolarHBondContact O-N 3.27Å |
| 658 | R | 81.3 | Confident | 81.5 | Confident | 119 Ų | 119 | 47.3 Ų | 47.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.4 | 174.3 | 175.7 | 62.5 | 155.8 | -2.1 | 112.2 | A612 A654 D655 V656 A661 C662 | A612-R658 HydrophobicContact CB-CB 4.05Å; A612-R658 HydrophobicContact CB-CG 3.67Å; A654-R658 WeakPolarHBondContact O-CB 3.42Å; A654-R658 PolarHBondContact O-N 3.03Å; D655-R658 PolarHBondContact O-N 3.32Å; D655-R658 IonicContact OD1-CZ 2.63Å; D655-R658 IonicContact OD1-NE 2.68Å; D655-R658 IonicContact OD1-NH2 3.69Å; D655-R658 PolarHBondContact OD1-NH2 3.42Å; V656-R658 VanDerWaalsContact C-N 3.33Å; V656-R658 PolarHBondContact O-N 3.28Å; R658-A661 PolarHBondContact O-N 2.75Å; R658-C662 PolarHBondContact O-N 3.33Å |
| 659 | Q | 86.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66 | -38 | 178.6 | -169.9 | 66.5 | 23.3 | 0 | 0 | 111.9 | E464 L468 L471 D655 V656 C662 V663 | E464-Q659 PolarHBondContact O-NE2 2.95Å; E464-Q659 PolarHBondContact OE2-NE2 2.95Å; L468-Q659 HydrophobicContact CB-CG 3.74Å; L468-Q659 HydrophobicContact CD1-CB 4.03Å; L468-Q659 HydrophobicContact CD1-CG 4.02Å; L468-Q659 HydrophobicContact CG-CG 4.44Å; L471-Q659 HydrophobicContact CD1-CB 3.91Å; L471-Q659 HydrophobicContact CD1-CG 4.09Å; D655-Q659 WeakPolarHBondContact O-CB 3.49Å; D655-Q659 PolarHBondContact O-N 3.46Å; V656-Q659 PolarHBondContact O-N 3.08Å; Q659-C662 WeakPolarHBondContact O-CB 3.07Å; Q659-C662 PolarHBondContact O-N 2.95Å; Q659-V663 WeakPolarHBondContact O-CG2 3.39Å; Q659-V663 PolarHBondContact O-N 2.9Å |
| 660 | R | 85.1 | Confident | 82.2 | Confident | 130 Ų | 130 | 45 Ų | 45 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 173.4 | -76.2 | 179.5 | 176.4 | -175.6 | -5.6 | 112.2 | L468 E472 V656 V657 C662 V663 A664 | L468-R660 HydrophobicContact CD1-CB 4.44Å; L468-R660 HydrophobicContact CD1-CG 3.46Å; L468-R660 VanDerWaalsContact CD1-CG 3.46Å; L468-R660 HydrophobicContact CD2-CG 3.81Å; L468-R660 HydrophobicContact CG-CG 4.27Å; E472-R660 IonicContact OE1-CZ 2.77Å; E472-R660 IonicContact OE1-NE 3.44Å; E472-R660 PolarHBondContact OE1-NE 3.33Å; E472-R660 IonicContact OE1-NH2 3.56Å; E472-R660 PolarHBondContact OE1-NH2 2.62Å; E472-R660 IonicContact OE2-NH2 3.37Å; V656-R660 HydrophobicContact CG1-CG 4.38Å; V656-R660 WeakPolarHBondContact O-CB 3.25Å; V656-R660 VanDerWaalsContact O-CG 3.31Å; V656-R660 WeakPolarHBondContact O-CG 3.42Å; V656-R660 PolarHBondContact O-N 3.34Å; V657-R660 PolarHBondContact O-N 2.76Å; R660-C662 VanDerWaalsContact C-N 3.29Å; R660-C662 PolarHBondContact O-N 3.08Å; R660-V663 PolarHBondContact O-N 3.2Å; R660-A664 WeakPolarHBondContact O-CB 3.46Å; R660-A664 PolarHBondContact O-N 2.73Å |
| 661 | A | 77.8 | Confident | 82.7 | Confident | 24 Ų | 24 | 43 Ų | 43 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A612 V657 R658 A664 Y665 | A612-A661 HydrophobicContact CB-CB 3.79Å; V657-A661 PolarHBondContact O-N 3.27Å; R658-A661 PolarHBondContact O-N 2.75Å; A661-A664 PolarHBondContact O-N 3.27Å; A661-Y665 WeakPolarHBondContact O-CB 3.34Å; A661-Y665 PolarHBondContact O-N 3.5Å |
| 662 | C | 81.3 | Confident | 83 | Confident | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.054 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | A608 R658 Q659 R660 A664 Y665 L666 | A608-C662 HydrophobicContact CB-CB 4.24Å; R658-C662 PolarHBondContact O-N 3.33Å; Q659-C662 WeakPolarHBondContact O-CB 3.07Å; Q659-C662 PolarHBondContact O-N 2.95Å; R660-C662 VanDerWaalsContact C-N 3.29Å; R660-C662 PolarHBondContact O-N 3.08Å; C662-A664 PolarHBondContact O-N 2.63Å; C662-Y665 WeakPolarHBondContact O-CB 3.36Å; C662-Y665 PolarHBondContact O-N 3.24Å; C662-L666 WeakPolarHBondContact O-CG 3.35Å; C662-L666 PolarHBondContact O-N 2.81Å |
| 663 | V | 84.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | E464 T465 L468 Q659 R660 Y665 L666 L667 | E464-V663 HydrophobicContact CB-CG2 4.21Å; E464-V663 WeakPolarHBondContact O-CG2 3.43Å; T465-V663 HydrophobicContact CG2-CG1 3.59Å; T465-V663 HydrophobicContact CG2-CG2 4.25Å; L468-V663 HydrophobicContact CB-CG2 4.19Å; L468-V663 HydrophobicContact CD2-CB 4.34Å; L468-V663 HydrophobicContact CD2-CG2 4.08Å; Q659-V663 WeakPolarHBondContact O-CG2 3.39Å; Q659-V663 PolarHBondContact O-N 2.9Å; R660-V663 PolarHBondContact O-N 3.2Å; V663-Y665 VanDerWaalsContact C-N 3.31Å; V663-Y665 PolarHBondContact O-N 3.35Å; V663-L666 PolarHBondContact O-N 2.74Å; V663-L667 HydrophobicContact CG1-CD1 4.07Å; V663-L667 HydrophobicContact CG1-CG 4.46Å; V663-L667 WeakPolarHBondContact O-CG 3.47Å; V663-L667 PolarHBondContact O-N 3.32Å |
| 664 | A | 80.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R660 A661 C662 L667 E668 | R660-A664 WeakPolarHBondContact O-CB 3.46Å; R660-A664 PolarHBondContact O-N 2.73Å; A661-A664 PolarHBondContact O-N 3.27Å; C662-A664 PolarHBondContact O-N 2.63Å; A664-L667 PolarHBondContact O-N 2.73Å; A664-E668 PolarHBondContact O-N 3.39Å |
| 665 | Y | 78.6 | Confident | 84 | Confident | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 174.5 | 171.5 | -83.4 | 0 | 0 | 0 | 111.6 | I408 A604 S607 A608 A661 C662 V663 L667 E668 T669 | I408-Y665 HydrophobicContact CD1-CD2 4.49Å; I408-Y665 HydrophobicContact CD1-CE2 3.95Å; I408-Y665 HydrophobicContact CG1-CE2 4.38Å; I408-Y665 HydrophobicContact CG2-CD2 3.67Å; I408-Y665 HydrophobicContact CG2-CE2 3.57Å; A604-Y665 HydrophobicContact CB-CE1 4.03Å; A604-Y665 WeakPolarHBondContact O-CE1 3.49Å; S607-Y665 WeakPolarHBondContact CB-OH 3.35Å; A608-Y665 HydrophobicContact CB-CD1 3.4Å; A608-Y665 HydrophobicContact CB-CD2 4.28Å; A608-Y665 HydrophobicContact CB-CE1 4.06Å; A608-Y665 HydrophobicContact CB-CG 3.56Å; A661-Y665 WeakPolarHBondContact O-CB 3.34Å; A661-Y665 PolarHBondContact O-N 3.5Å; C662-Y665 WeakPolarHBondContact O-CB 3.36Å; C662-Y665 PolarHBondContact O-N 3.24Å; V663-Y665 VanDerWaalsContact C-N 3.31Å; V663-Y665 PolarHBondContact O-N 3.35Å; Y665-L667 VanDerWaalsContact C-N 3.29Å; Y665-L667 PolarHBondContact O-N 2.75Å; Y665-E668 PolarHBondContact O-N 2.92Å; Y665-T669 WeakPolarHBondContact CE1-OG1 3.2Å; Y665-T669 WeakPolarHBondContact O-CB 3.38Å; Y665-T669 PolarHBondContact O-N 3.25Å; Y665-T669 PolarHBondContact O-OG1 3.17Å |
| 666 | L | 80.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -34.2 | -179.7 | -66.6 | 170.4 | 0 | 0 | 0 | 112.1 | L457 V460 V461 E464 C662 V663 T669 S670 | L457-L666 HydrophobicContact CD1-CD2 3.97Å; V460-L666 HydrophobicContact CG1-CD1 4.22Å; V461-L666 HydrophobicContact CG2-CB 3.71Å; E464-L666 HydrophobicContact CB-CD1 3.94Å; E464-L666 HydrophobicContact CG-CD1 3.89Å; C662-L666 WeakPolarHBondContact O-CG 3.35Å; C662-L666 PolarHBondContact O-N 2.81Å; V663-L666 PolarHBondContact O-N 2.74Å; L666-T669 WeakPolarHBondContact O-CB 3.45Å; L666-T669 PolarHBondContact O-N 3.44Å; L666-S670 WeakPolarHBondContact O-CB 3.04Å; L666-S670 PolarHBondContact O-N 3.21Å |
| 667 | L | 84 | Confident | 84.5 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.4 | -45 | 174.5 | -70.6 | 173.1 | 0 | 0 | 0 | 112.4 | V461 V663 A664 Y665 T669 S670 S671 | V461-L667 HydrophobicContact CG1-CD2 3.72Å; V461-L667 HydrophobicContact CG1-CG 4.42Å; V663-L667 HydrophobicContact CG1-CD1 4.07Å; V663-L667 HydrophobicContact CG1-CG 4.46Å; V663-L667 WeakPolarHBondContact O-CG 3.47Å; V663-L667 PolarHBondContact O-N 3.32Å; A664-L667 PolarHBondContact O-N 2.73Å; Y665-L667 VanDerWaalsContact C-N 3.29Å; Y665-L667 PolarHBondContact O-N 2.75Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 3.01Å; L667-S670 PolarHBondContact O-N 2.78Å; L667-S671 PolarHBondContact O-N 3.4Å |
| 668 | E | 81.3 | Confident | 85.1 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 173.4 | -73.5 | -168.8 | 157.3 | 0 | 0 | 111.7 | S409 A664 Y665 S670 S671 F672 | S409-E668 VanDerWaalsContact CA-OE2 3.31Å; S409-E668 WeakPolarHBondContact CA-OE2 3.24Å; A664-E668 PolarHBondContact O-N 3.39Å; Y665-E668 PolarHBondContact O-N 2.92Å; E668-S670 VanDerWaalsContact C-N 3.35Å; E668-S670 PolarHBondContact O-N 3.44Å; E668-S671 PolarHBondContact O-N 3.4Å; E668-F672 PolarHBondContact O-N 3.13Å |
| 669 | T | 82.3 | Confident | 85.7 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | A449 L457 Y665 L666 L667 S671 F672 I673 | A449-T669 HydrophobicContact CB-CG2 3.16Å; L457-T669 HydrophobicContact CD2-CG2 3.86Å; Y665-T669 WeakPolarHBondContact CE1-OG1 3.2Å; Y665-T669 WeakPolarHBondContact O-CB 3.38Å; Y665-T669 PolarHBondContact O-N 3.25Å; Y665-T669 PolarHBondContact O-OG1 3.17Å; L666-T669 WeakPolarHBondContact O-CB 3.45Å; L666-T669 PolarHBondContact O-N 3.44Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 3.01Å; T669-S671 PolarHBondContact O-N 3.01Å; T669-F672 WeakPolarHBondContact O-CB 3.5Å; T669-F672 PolarHBondContact O-N 3.46Å; T669-I673 HydrophobicContact CG2-CD1 4.38Å; T669-I673 WeakPolarHBondContact O-CG1 3.36Å; T669-I673 PolarHBondContact O-N 2.93Å |
| 670 | S | 84.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 112 | L457 L666 L667 E668 F672 I673 S674 | L457-S670 VanDerWaalsContact CD2-CA 3.49Å; L666-S670 WeakPolarHBondContact O-CB 3.04Å; L666-S670 PolarHBondContact O-N 3.21Å; L667-S670 PolarHBondContact O-N 2.78Å; E668-S670 VanDerWaalsContact C-N 3.35Å; E668-S670 PolarHBondContact O-N 3.44Å; S670-F672 VanDerWaalsContact C-N 3.33Å; S670-F672 PolarHBondContact O-N 3.26Å; S670-I673 PolarHBondContact O-N 3.13Å; S670-S674 PolarHBondContact O-N 2.96Å; S670-S674 VanDerWaalsContact O-N 3.13Å |
| 671 | S | 86.6 | Confident | 86.6 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 173.2 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | S412 L667 E668 T669 S674 H675 | S412-S671 VanDerWaalsContact OG-CB 3.28Å; S412-S671 WeakPolarHBondContact OG-CB 3.5Å; S412-S671 PolarHBondContact OG-OG 2.87Å; L667-S671 PolarHBondContact O-N 3.4Å; E668-S671 PolarHBondContact O-N 3.4Å; T669-S671 PolarHBondContact O-N 3.01Å; S671-S674 WeakPolarHBondContact O-CB 3.43Å; S671-S674 PolarHBondContact O-N 2.98Å; S671-H675 PolarHBondContact O-CD2 2.81Å; S671-H675 PolarHBondContact O-N 3.3Å |
| 672 | F | 88.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.4 | 177.9 | -106.8 | 0 | 0 | 0 | 112.6 | Q411 A415 M443 C447 A450 E668 T669 S670 S674 H675 I676 | Q411-F672 HydrophobicContact CB-CD2 4.35Å; A415-F672 HydrophobicContact CB-CD2 3.65Å; A415-F672 HydrophobicContact CB-CE2 3.76Å; M443-F672 HydrophobicContact CB-CZ 4.35Å; M443-F672 HydrophobicContact CE-CD2 4.46Å; M443-F672 HydrophobicContact CE-CE2 3.72Å; C447-F672 HydrophobicContact CB-CD1 4.18Å; C447-F672 HydrophobicContact CB-CE1 3.46Å; C447-F672 VanDerWaalsContact CB-CE1 3.46Å; C447-F672 HydrophobicContact CB-CZ 4.06Å; A450-F672 HydrophobicContact CB-CE1 4.45Å; E668-F672 PolarHBondContact O-N 3.13Å; T669-F672 WeakPolarHBondContact O-CB 3.5Å; T669-F672 PolarHBondContact O-N 3.46Å; S670-F672 VanDerWaalsContact C-N 3.33Å; S670-F672 PolarHBondContact O-N 3.26Å; F672-S674 VanDerWaalsContact C-N 3.3Å; F672-S674 PolarHBondContact O-N 2.8Å; F672-H675 WeakPolarHBondContact O-CA 3.17Å; F672-H675 WeakPolarHBondContact O-CB 3.02Å; F672-H675 PolarHBondContact O-N 3.38Å; F672-I676 HydrophobicContact CD1-CG1 4.26Å; F672-I676 HydrophobicContact CE1-CD1 4.08Å; F672-I676 HydrophobicContact CE1-CG1 3.82Å; F672-I676 HydrophobicContact CE2-CD1 4.01Å; F672-I676 HydrophobicContact CE2-CG1 4.38Å; F672-I676 HydrophobicContact CZ-CD1 3.64Å; F672-I676 HydrophobicContact CZ-CG1 3.91Å; F672-I676 PolarHBondContact O-N 3.06Å |
| 673 | I | 87 | Confident | 88.2 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 177.6 | -66.9 | 174.1 | 0 | 0 | 0 | 111.5 | A449 L452 T454 L457 T669 S670 H675 I676 Q677 | A449-I673 WeakPolarHBondContact O-CD1 3.38Å; L452-I673 HydrophobicContact CB-CD1 4.22Å; T454-I673 HydrophobicContact CG2-CG2 3.9Å; L457-I673 HydrophobicContact CD2-CD1 3.51Å; T669-I673 HydrophobicContact CG2-CD1 4.38Å; T669-I673 WeakPolarHBondContact O-CG1 3.36Å; T669-I673 PolarHBondContact O-N 2.93Å; S670-I673 PolarHBondContact O-N 3.13Å; I673-H675 VanDerWaalsContact C-N 3.26Å; I673-H675 PolarHBondContact O-N 3.27Å; I673-I676 WeakPolarHBondContact O-CA 3.37Å; I673-I676 WeakPolarHBondContact O-CB 3.31Å; I673-I676 PolarHBondContact O-N 3.42Å; I673-Q677 PolarHBondContact O-N 3.03Å |
| 674 | S | 89.5 | Confident | 88.8 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -38.8 | 174 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | S670 S671 F672 Q677 T678 | S670-S674 PolarHBondContact O-N 2.96Å; S670-S674 VanDerWaalsContact O-N 3.13Å; S671-S674 WeakPolarHBondContact O-CB 3.43Å; S671-S674 PolarHBondContact O-N 2.98Å; F672-S674 VanDerWaalsContact C-N 3.3Å; F672-S674 PolarHBondContact O-N 2.8Å; S674-Q677 PolarHBondContact O-N 2.97Å; S674-T678 PolarHBondContact O-N 3.45Å; S674-T678 VanDerWaalsContact O-N 3.16Å; S674-T678 PolarHBondContact O-OG1 3.22Å; S674-T678 VanDerWaalsContact O-OG1 3.12Å |
| 675 | H | 91.7 | Very high | 89.4 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | 172.6 | -65.7 | -56.8 | 0 | 0 | 0 | 112.7 | A415 V419 S671 F672 I673 Q677 T678 A679 | A415-H675 HydrophobicContact CB-CB 3.81Å; V419-H675 HydrophobicContact CG2-CB 3.87Å; S671-H675 PolarHBondContact O-CD2 2.81Å; S671-H675 PolarHBondContact O-N 3.3Å; F672-H675 WeakPolarHBondContact O-CA 3.17Å; F672-H675 WeakPolarHBondContact O-CB 3.02Å; F672-H675 PolarHBondContact O-N 3.38Å; I673-H675 VanDerWaalsContact C-N 3.26Å; I673-H675 PolarHBondContact O-N 3.27Å; H675-Q677 VanDerWaalsContact C-N 3.34Å; H675-T678 WeakPolarHBondContact O-CB 3.44Å; H675-T678 PolarHBondContact O-N 3.29Å; H675-A679 WeakPolarHBondContact O-CB 3.44Å; H675-A679 PolarHBondContact O-N 3.41Å |
| 676 | I | 91.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 173.4 | -61.8 | -51.4 | 0 | 0 | 0 | 111.6 | L440 I444 F672 I673 T678 A679 I680 I710 | L440-I676 HydrophobicContact CD1-CD1 3.99Å; I444-I676 HydrophobicContact CD1-CD1 4.1Å; I444-I676 HydrophobicContact CD1-CG2 4.49Å; I444-I676 HydrophobicContact CG1-CD1 3.77Å; F672-I676 HydrophobicContact CD1-CG1 4.26Å; F672-I676 HydrophobicContact CE1-CD1 4.08Å; F672-I676 HydrophobicContact CE1-CG1 3.82Å; F672-I676 HydrophobicContact CE2-CD1 4.01Å; F672-I676 HydrophobicContact CE2-CG1 4.38Å; F672-I676 HydrophobicContact CZ-CD1 3.64Å; F672-I676 HydrophobicContact CZ-CG1 3.91Å; F672-I676 PolarHBondContact O-N 3.06Å; I673-I676 WeakPolarHBondContact O-CA 3.37Å; I673-I676 WeakPolarHBondContact O-CB 3.31Å; I673-I676 PolarHBondContact O-N 3.42Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.3Å; I676-A679 VanDerWaalsContact O-CB 3.28Å; I676-A679 WeakPolarHBondContact O-CB 3.29Å; I676-A679 PolarHBondContact O-N 3.38Å; I676-A679 VanDerWaalsContact O-N 3.15Å; I676-I680 HydrophobicContact CG2-CD1 4.41Å; I676-I680 WeakPolarHBondContact O-CG1 3.26Å; I676-I680 PolarHBondContact O-N 3.43Å; I676-I710 HydrophobicContact CG2-CD1 4.21Å |
| 677 | Q | 91.5 | Very high | 91 | Very high | 89 Ų | 89 | 38 Ų | 38 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 174.1 | -69.8 | -178.1 | -32.4 | 0 | 0 | 112.3 | I673 S674 H675 | I673-Q677 PolarHBondContact O-N 3.03Å; S674-Q677 PolarHBondContact O-N 2.97Å; H675-Q677 VanDerWaalsContact C-N 3.34Å |
| 678 | T | 93.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -43.7 | 172.7 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | V419 S674 H675 I676 I680 K681 D682 | V419-T678 HydrophobicContact CB-CG2 4.19Å; V419-T678 HydrophobicContact CG2-CG2 4.12Å; S674-T678 PolarHBondContact O-N 3.45Å; S674-T678 VanDerWaalsContact O-N 3.16Å; S674-T678 PolarHBondContact O-OG1 3.22Å; S674-T678 VanDerWaalsContact O-OG1 3.12Å; H675-T678 WeakPolarHBondContact O-CB 3.44Å; H675-T678 PolarHBondContact O-N 3.29Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.3Å; T678-I680 VanDerWaalsContact C-N 3.31Å; T678-I680 PolarHBondContact O-N 3.19Å; T678-K681 WeakPolarHBondContact O-CB 3.13Å; T678-K681 PolarHBondContact O-N 3.46Å; T678-K681 VanDerWaalsContact O-N 3.09Å; T678-D682 PolarHBondContact O-N 3.18Å |
| 679 | A | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V419 L440 H675 I676 K681 D682 F683 | V419-A679 HydrophobicContact CG1-CB 3.73Å; L440-A679 HydrophobicContact CD2-CB 3.45Å; L440-A679 VanDerWaalsContact CD2-CB 3.45Å; L440-A679 HydrophobicContact CG-CB 4.42Å; H675-A679 WeakPolarHBondContact O-CB 3.44Å; H675-A679 PolarHBondContact O-N 3.41Å; I676-A679 VanDerWaalsContact O-CB 3.28Å; I676-A679 WeakPolarHBondContact O-CB 3.29Å; I676-A679 PolarHBondContact O-N 3.38Å; I676-A679 VanDerWaalsContact O-N 3.15Å; A679-K681 VanDerWaalsContact C-N 3.26Å; A679-K681 PolarHBondContact O-N 3Å; A679-D682 PolarHBondContact O-N 3.19Å; A679-F683 HydrophobicContact CB-CD2 4.45Å; A679-F683 WeakPolarHBondContact O-CB 3.49Å; A679-F683 WeakPolarHBondContact O-CD2 3.28Å; A679-F683 PolarHBondContact O-N 3.48Å |
| 680 | I | 95.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | 178.5 | -69.3 | 167 | 0 | 0 | 0 | 110.1 | I676 T678 F683 Q684 F701 F702 I710 G712 L713 | I676-I680 HydrophobicContact CG2-CD1 4.41Å; I676-I680 WeakPolarHBondContact O-CG1 3.26Å; I676-I680 PolarHBondContact O-N 3.43Å; T678-I680 VanDerWaalsContact C-N 3.31Å; T678-I680 PolarHBondContact O-N 3.19Å; I680-F683 PolarHBondContact O-N 2.64Å; I680-Q684 VanDerWaalsContact O-CG 3.25Å; I680-Q684 WeakPolarHBondContact O-CG 3.3Å; I680-Q684 PolarHBondContact O-N 3.01Å; I680-F701 HydrophobicContact CG1-CE1 4.15Å; I680-F701 HydrophobicContact CG1-CZ 4.02Å; I680-F702 HydrophobicContact CG2-CE1 4.39Å; I680-I710 HydrophobicContact CD1-CG2 3.96Å; I680-G712 WeakPolarHBondContact CG2-O 3.45Å; I680-L713 HydrophobicContact CD1-CD2 3.9Å; I680-L713 HydrophobicContact CG1-CD2 3.92Å; I680-L713 HydrophobicContact CG2-CD2 4.38Å |
| 681 | K | 94.9 | Very high | 92.7 | Very high | 146 Ų | 146 | 44 Ų | 44 | 64% | 0.635 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.6 | -41.9 | 176.6 | -63.1 | -177.4 | 179.6 | -175 | 0 | 112.1 | T678 A679 F683 Q684 S685 | T678-K681 WeakPolarHBondContact O-CB 3.13Å; T678-K681 PolarHBondContact O-N 3.46Å; T678-K681 VanDerWaalsContact O-N 3.09Å; A679-K681 VanDerWaalsContact C-N 3.26Å; A679-K681 PolarHBondContact O-N 3Å; K681-F683 VanDerWaalsContact C-N 3.34Å; K681-F683 PolarHBondContact O-N 2.75Å; K681-Q684 WeakPolarHBondContact O-CB 3.17Å; K681-Q684 PolarHBondContact O-N 3.29Å; K681-S685 PolarHBondContact O-N 3.32Å |
| 682 | D | 96.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.3 | -64.9 | -23.7 | 0 | 0 | 0 | 110.7 | V419 G420 M425 M426 T678 A679 S685 M686 | V419-D682 WeakPolarHBondContact CA-OD2 3.36Å; V419-D682 WeakPolarHBondContact CB-OD2 3.43Å; G420-D682 PolarHBondContact N-OD2 3.46Å; M425-D682 HydrophobicContact CE-CB 3.7Å; M426-D682 HydrophobicContact CE-CB 3.78Å; T678-D682 PolarHBondContact O-N 3.18Å; A679-D682 PolarHBondContact O-N 3.19Å; D682-S685 PolarHBondContact O-N 2.66Å; D682-M686 VanDerWaalsContact O-CG 3.32Å; D682-M686 WeakPolarHBondContact O-CG 3.25Å; D682-M686 PolarHBondContact O-N 2.92Å |
| 683 | F | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 176.5 | -81.2 | -65.2 | 0 | 0 | 0 | 113.4 | M425 C437 L440 A679 I680 K681 M686 L687 A698 F701 F702 | M425-F683 HydrophobicContact CE-CD1 3.87Å; M425-F683 HydrophobicContact CE-CD2 3.56Å; M425-F683 HydrophobicContact CE-CE1 3.81Å; M425-F683 HydrophobicContact CE-CE2 3.44Å; M425-F683 VanDerWaalsContact CE-CE2 3.44Å; M425-F683 HydrophobicContact CE-CG 3.79Å; M425-F683 HydrophobicContact CE-CZ 3.61Å; M425-F683 HydrophobicContact SD-CE2 4.18Å; M425-F683 HydrophobicContact SD-CZ 4.42Å; C437-F683 HydrophobicContact CB-CE1 3.69Å; C437-F683 HydrophobicContact CB-CZ 3.77Å; C437-F683 VanDerWaalsContact SG-CE1 3.58Å; L440-F683 HydrophobicContact CD2-CE2 4.03Å; A679-F683 HydrophobicContact CB-CD2 4.45Å; A679-F683 WeakPolarHBondContact O-CB 3.49Å; A679-F683 WeakPolarHBondContact O-CD2 3.28Å; A679-F683 PolarHBondContact O-N 3.48Å; I680-F683 PolarHBondContact O-N 2.64Å; K681-F683 VanDerWaalsContact C-N 3.34Å; K681-F683 PolarHBondContact O-N 2.75Å; F683-M686 HydrophobicContact CD1-SD 4.18Å; F683-M686 HydrophobicContact CE1-SD 4.47Å; F683-M686 PolarHBondContact O-N 3.33Å; F683-L687 PolarHBondContact O-N 3.28Å; F683-A698 HydrophobicContact CB-CB 4.47Å; F683-A698 HydrophobicContact CD1-CB 3.78Å; F683-F701 HydrophobicContact CB-CD1 3.8Å; F683-F701 HydrophobicContact CB-CE1 4.09Å; F683-F701 HydrophobicContact CB-CG 4.43Å; F683-F701 HydrophobicContact CD1-CB 3.94Å; F683-F701 HydrophobicContact CD1-CD1 4.31Å; F683-F701 HydrophobicContact CD1-CG 4.12Å; F683-F701 HydrophobicContact CD2-CB 4.03Å; F683-F701 AromaticContact CD2-CD1 3.36Å; F683-F701 HydrophobicContact CD2-CD1 3.36Å; F683-F701 AromaticContact CD2-CD2 3.43Å; F683-F701 HydrophobicContact CD2-CD2 3.43Å; F683-F701 VanDerWaalsContact CD2-CD2 3.43Å; F683-F701 AromaticContact CD2-CE1 3.52Å; F683-F701 HydrophobicContact CD2-CE1 3.52Å; F683-F701 AromaticContact CD2-CE2 3.52Å; F683-F701 HydrophobicContact CD2-CE2 3.52Å; F683-F701 AromaticContact CD2-CG 3.32Å; F683-F701 HydrophobicContact CD2-CG 3.32Å; F683-F701 AromaticContact CD2-CZ 3.59Å; F683-F701 HydrophobicContact CD2-CZ 3.59Å; F683-F701 HydrophobicContact CE1-CB 3.72Å; F683-F701 HydrophobicContact CE1-CD2 4.46Å; F683-F701 HydrophobicContact CE1-CG 4.09Å; F683-F701 HydrophobicContact CE2-CB 3.87Å; F683-F701 AromaticContact CE2-CD1 3.91Å; F683-F701 HydrophobicContact CE2-CD1 3.91Å; F683-F701 AromaticContact CE2-CD2 3.06Å; F683-F701 HydrophobicContact CE2-CD2 3.06Å; F683-F701 HydrophobicContact CE2-CE1 4.21Å; F683-F701 AromaticContact CE2-CE2 3.37Å; F683-F701 HydrophobicContact CE2-CE2 3.37Å; F683-F701 AromaticContact CE2-CG 3.34Å; F683-F701 HydrophobicContact CE2-CG 3.34Å; F683-F701 AromaticContact CE2-CZ 3.96Å; F683-F701 HydrophobicContact CE2-CZ 3.96Å; F683-F701 HydrophobicContact CG-CB 4.06Å; F683-F701 AromaticContact CG-CD1 3.58Å; F683-F701 HydrophobicContact CG-CD1 3.58Å; F683-F701 HydrophobicContact CG-CD2 4.28Å; F683-F701 HydrophobicContact CG-CE1 4.05Å; F683-F701 AromaticContact CG-CG 3.72Å; F683-F701 HydrophobicContact CG-CG 3.72Å; F683-F701 HydrophobicContact CZ-CB 3.68Å; F683-F701 AromaticContact CZ-CD2 3.64Å; F683-F701 HydrophobicContact CZ-CD2 3.64Å; F683-F701 HydrophobicContact CZ-CE2 4.35Å; F683-F701 AromaticContact CZ-CG 3.72Å; F683-F701 HydrophobicContact CZ-CG 3.72Å; F683-F702 HydrophobicContact CB-CE2 3.89Å; F683-F702 HydrophobicContact CB-CZ 4.03Å |
| 684 | Q | 95.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 170.6 | -77.6 | 167.3 | -6.9 | 0 | 0 | 110.7 | I680 K681 M686 L687 F702 | I680-Q684 VanDerWaalsContact O-CG 3.25Å; I680-Q684 WeakPolarHBondContact O-CG 3.3Å; I680-Q684 PolarHBondContact O-N 3.01Å; K681-Q684 WeakPolarHBondContact O-CB 3.17Å; K681-Q684 PolarHBondContact O-N 3.29Å; Q684-M686 VanDerWaalsContact C-N 3.27Å; Q684-M686 PolarHBondContact O-N 3.07Å; Q684-L687 WeakPolarHBondContact O-CB 3.49Å; Q684-L687 PolarHBondContact O-N 3.4Å; Q684-F702 HydrophobicContact CG-CZ 3.81Å |
| 685 | S | 93.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 56% | 0.559 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.9 | -35.4 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | K681 D682 L687 S688 | K681-S685 PolarHBondContact O-N 3.32Å; D682-S685 PolarHBondContact O-N 2.66Å; S685-L687 VanDerWaalsContact C-N 3.3Å; S685-L687 PolarHBondContact O-N 3.16Å; S685-S688 PolarHBondContact O-N 3Å |
| 686 | M | 94.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -22.1 | 178 | -70.3 | -177.8 | 76.2 | 0 | 0 | 114.3 | M425 M426 C437 D682 F683 Q684 S688 S689 D694 A698 | M425-M686 HydrophobicContact CE-SD 3.92Å; M426-M686 HydrophobicContact CE-CG 4.18Å; M426-M686 HydrophobicContact CE-SD 4.32Å; C437-M686 VanDerWaalsContact SG-CE 3.5Å; C437-M686 VanDerWaalsContact SG-SD 3.65Å; D682-M686 VanDerWaalsContact O-CG 3.32Å; D682-M686 WeakPolarHBondContact O-CG 3.25Å; D682-M686 PolarHBondContact O-N 2.92Å; F683-M686 HydrophobicContact CD1-SD 4.18Å; F683-M686 HydrophobicContact CE1-SD 4.47Å; F683-M686 PolarHBondContact O-N 3.33Å; Q684-M686 VanDerWaalsContact C-N 3.27Å; Q684-M686 PolarHBondContact O-N 3.07Å; M686-S688 PolarHBondContact O-N 3.47Å; M686-S689 WeakPolarHBondContact O-CB 3.35Å; M686-S689 PolarHBondContact O-N 3.11Å; M686-S689 VanDerWaalsContact O-N 3.11Å; M686-D694 HydrophobicContact CE-CB 3.44Å; M686-D694 VanDerWaalsContact CE-CB 3.44Å; M686-A698 HydrophobicContact CB-CB 4.06Å |
| 687 | L | 96.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -27.4 | 173.4 | -70.4 | 170.9 | 0 | 0 | 0 | 112 | F683 Q684 S685 A698 I699 F702 G716 L719 L720 L723 | F683-L687 PolarHBondContact O-N 3.28Å; Q684-L687 WeakPolarHBondContact O-CB 3.49Å; Q684-L687 PolarHBondContact O-N 3.4Å; S685-L687 VanDerWaalsContact C-N 3.3Å; S685-L687 PolarHBondContact O-N 3.16Å; L687-A698 HydrophobicContact CD2-CB 3.79Å; L687-A698 HydrophobicContact CG-CB 4.08Å; L687-I699 HydrophobicContact CD2-CG1 3.92Å; L687-F702 HydrophobicContact CD1-CD2 3.97Å; L687-F702 HydrophobicContact CD1-CE2 3.6Å; L687-F702 HydrophobicContact CD1-CZ 4.48Å; L687-F702 HydrophobicContact CD2-CD2 4.44Å; L687-F702 HydrophobicContact CG-CD2 4.44Å; L687-F702 HydrophobicContact CG-CE2 4.09Å; L687-G716 VanDerWaalsContact CD1-O 3.28Å; L687-G716 WeakPolarHBondContact CD1-O 3.21Å; L687-L719 HydrophobicContact CD1-CB 3.84Å; L687-L720 HydrophobicContact CD1-CB 4.31Å; L687-L720 HydrophobicContact CD2-CB 4.45Å; L687-L723 HydrophobicContact CB-CD1 4.36Å; L687-L723 HydrophobicContact CD2-CD1 3.86Å |
| 688 | S | 91.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 40 Ų | 40 | 54% | 0.538 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8.9 | 175.8 | -48.8 | 0 | 0 | 0 | 0 | 113.2 | S685 M686 | S685-S688 PolarHBondContact O-N 3Å; M686-S688 PolarHBondContact O-N 3.47Å |
| 689 | S | 92.2 | Very high | 95.3 | Very high | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | trans | -72.6 | 140.2 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | M686 T691 D694 V695 | M686-S689 WeakPolarHBondContact O-CB 3.35Å; M686-S689 PolarHBondContact O-N 3.11Å; M686-S689 VanDerWaalsContact O-N 3.11Å; S689-T691 PolarHBondContact O-N 3.32Å; S689-T691 PolarHBondContact OG-N 3.34Å; S689-T691 VanDerWaalsContact OG-N 3.14Å; S689-D694 PolarHBondContact OG-OD2 2.96Å; S689-V695 VanDerWaalsContact O-CG2 3.31Å; S689-V695 WeakPolarHBondContact O-CG2 3.07Å | ||
| 690 | K | 90.6 | Very high | 95.4 | Very high | 153 Ų | 153 | 41.9 Ų | 41.9 | 67% | 0.665 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -67.8 | -15.5 | 170.5 | -58.4 | -169.3 | -179.2 | -165.5 | 0 | 113.1 | D561 | D561-K690 WeakPolarHBondContact OD1-CE 3.23Å; D561-K690 IonicContact OD1-NZ 2.98Å; D561-K690 PolarHBondContact OD1-NZ 3.44Å |
| 691 | T | 93.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -90 | 112.9 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | A430 R433 S689 S693 D694 V695 | A430-T691 HydrophobicContact CB-CG2 4.22Å; R433-T691 PolarHBondContact NH2-OG1 3.34Å; S689-T691 PolarHBondContact O-N 3.32Å; S689-T691 PolarHBondContact OG-N 3.34Å; S689-T691 VanDerWaalsContact OG-N 3.14Å; T691-S693 VanDerWaalsContact C-N 3.25Å; T691-S693 WeakPolarHBondContact CG2-OG 3.35Å; T691-S693 PolarHBondContact O-N 2.93Å; T691-S693 VanDerWaalsContact O-N 3.1Å; T691-D694 WeakPolarHBondContact CB-OD2 3.49Å; T691-D694 WeakPolarHBondContact O-CB 3.32Å; T691-D694 PolarHBondContact O-N 3.38Å; T691-V695 PolarHBondContact O-N 3.37Å |
| 692 | I | 94.9 | Very high | 95.5 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -51.9 | -39.6 | -176.2 | -60.7 | 172.7 | 0 | 0 | 0 | 113.3 | D694 V695 I696 E728 T730 I731 | I692-D694 VanDerWaalsContact C-N 3.29Å; I692-D694 PolarHBondContact O-N 3.07Å; I692-V695 PolarHBondContact O-N 3.47Å; I692-I696 HydrophobicContact CG2-CD1 3.74Å; I692-I696 HydrophobicContact CG2-CG1 4.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.23Å; I692-I696 PolarHBondContact O-N 3.43Å; I692-I696 VanDerWaalsContact O-N 3.08Å; I692-E728 HydrophobicContact CD1-CG 4.28Å; I692-E728 HydrophobicContact CG1-CG 4.45Å; I692-T730 WeakPolarHBondContact CG2-OG1 3.17Å; I692-I731 HydrophobicContact CG2-CG1 4.34Å |
| 693 | S | 94.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -32.4 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | T691 E697 | T691-S693 VanDerWaalsContact C-N 3.25Å; T691-S693 WeakPolarHBondContact CG2-OG 3.35Å; T691-S693 PolarHBondContact O-N 2.93Å; T691-S693 VanDerWaalsContact O-N 3.1Å; S693-E697 WeakPolarHBondContact O-CG 3.38Å; S693-E697 PolarHBondContact O-N 3.38Å; S693-E697 VanDerWaalsContact O-N 3.09Å |
| 694 | D | 96.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 179.4 | -64.7 | -8.6 | 0 | 0 | 0 | 109.8 | R433 M686 S689 T691 I692 E697 A698 | R433-D694 IonicContact CZ-OD1 2.61Å; R433-D694 IonicContact CZ-OD2 3.17Å; R433-D694 VanDerWaalsContact CZ-OD2 3.28Å; R433-D694 IonicContact NE-OD1 3.67Å; R433-D694 PolarHBondContact NE-OD1 3.47Å; R433-D694 IonicContact NE-OD2 2.7Å; R433-D694 PolarHBondContact NE-OD2 3.26Å; R433-D694 IonicContact NH2-OD1 3.29Å; R433-D694 PolarHBondContact NH2-OD1 3.37Å; R433-D694 IonicContact NH2-OD2 2.75Å; R433-D694 PolarHBondContact NH2-OD2 3.06Å; M686-D694 HydrophobicContact CE-CB 3.44Å; M686-D694 VanDerWaalsContact CE-CB 3.44Å; S689-D694 PolarHBondContact OG-OD2 2.96Å; T691-D694 WeakPolarHBondContact CB-OD2 3.49Å; T691-D694 WeakPolarHBondContact O-CB 3.32Å; T691-D694 PolarHBondContact O-N 3.38Å; I692-D694 VanDerWaalsContact C-N 3.29Å; I692-D694 PolarHBondContact O-N 3.07Å; D694-E697 PolarHBondContact O-N 3.32Å; D694-A698 WeakPolarHBondContact O-CB 3.41Å; D694-A698 PolarHBondContact O-N 3.4Å |
| 695 | V | 97.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | S689 T691 I692 E697 A698 I699 L723 I731 | S689-V695 VanDerWaalsContact O-CG2 3.31Å; S689-V695 WeakPolarHBondContact O-CG2 3.07Å; T691-V695 PolarHBondContact O-N 3.37Å; I692-V695 PolarHBondContact O-N 3.47Å; V695-E697 PolarHBondContact O-N 3.34Å; V695-A698 PolarHBondContact O-N 3.29Å; V695-I699 HydrophobicContact CG1-CD1 4Å; V695-I699 HydrophobicContact CG1-CG1 4.47Å; V695-I699 VanDerWaalsContact O-CG1 3.29Å; V695-I699 WeakPolarHBondContact O-CG1 3.41Å; V695-I699 PolarHBondContact O-N 3.27Å; V695-L723 HydrophobicContact CG1-CD1 3.59Å; V695-I731 HydrophobicContact CB-CD1 4.27Å; V695-I731 HydrophobicContact CG1-CD1 4.09Å; V695-I731 HydrophobicContact CG1-CG1 4.29Å; V695-I731 HydrophobicContact CG1-CG2 4.11Å; V695-I731 HydrophobicContact CG2-CD1 4.34Å |
| 696 | I | 97.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.9 | -68.6 | 171.7 | 0 | 0 | 0 | 111.5 | I692 A698 I699 E700 | I692-I696 HydrophobicContact CG2-CD1 3.74Å; I692-I696 HydrophobicContact CG2-CG1 4.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.23Å; I692-I696 PolarHBondContact O-N 3.43Å; I692-I696 VanDerWaalsContact O-N 3.08Å; I696-A698 VanDerWaalsContact C-N 3.3Å; I696-A698 PolarHBondContact O-N 3.49Å; I696-I699 PolarHBondContact O-N 3.41Å; I696-E700 WeakPolarHBondContact O-CB 3.05Å; I696-E700 PolarHBondContact O-N 3.27Å |
| 697 | E | 96.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -28.8 | -179.9 | -58 | -71.9 | 162.1 | 0 | 0 | 111.3 | K434 C437 K438 S693 D694 V695 F701 | K434-E697 VanDerWaalsContact CE-OE1 3.23Å; K434-E697 WeakPolarHBondContact CE-OE1 3.45Å; K434-E697 HydrophobicContact CG-CG 4.08Å; C437-E697 HydrophobicContact CB-CB 3.86Å; K438-E697 WeakPolarHBondContact CE-OE1 3.32Å; K438-E697 WeakPolarHBondContact CE-OE2 3.49Å; K438-E697 WeakPolarHBondContact CG-OE2 3.42Å; K438-E697 IonicContact NZ-OE1 3.63Å; K438-E697 PolarHBondContact NZ-OE1 2.89Å; K438-E697 IonicContact NZ-OE2 3.21Å; K438-E697 PolarHBondContact NZ-OE2 3.48Å; S693-E697 WeakPolarHBondContact O-CG 3.38Å; S693-E697 PolarHBondContact O-N 3.38Å; S693-E697 VanDerWaalsContact O-N 3.09Å; D694-E697 PolarHBondContact O-N 3.32Å; V695-E697 PolarHBondContact O-N 3.34Å; E697-F701 WeakPolarHBondContact O-CB 3.39Å; E697-F701 PolarHBondContact O-N 3Å |
| 698 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -44.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F683 M686 L687 D694 V695 I696 E700 F701 F702 | F683-A698 HydrophobicContact CB-CB 4.47Å; F683-A698 HydrophobicContact CD1-CB 3.78Å; M686-A698 HydrophobicContact CB-CB 4.06Å; L687-A698 HydrophobicContact CD2-CB 3.79Å; L687-A698 HydrophobicContact CG-CB 4.08Å; D694-A698 WeakPolarHBondContact O-CB 3.41Å; D694-A698 PolarHBondContact O-N 3.4Å; V695-A698 PolarHBondContact O-N 3.29Å; I696-A698 VanDerWaalsContact C-N 3.3Å; I696-A698 PolarHBondContact O-N 3.49Å; A698-E700 VanDerWaalsContact C-N 3.34Å; A698-E700 PolarHBondContact O-N 2.94Å; A698-F701 WeakPolarHBondContact O-CB 3.35Å; A698-F701 PolarHBondContact O-N 3.46Å; A698-F702 WeakPolarHBondContact O-CD2 3.41Å; A698-F702 PolarHBondContact O-N 2.93Å |
| 699 | I | 98.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 173 | -69.9 | 170.2 | 0 | 0 | 0 | 110.3 | L687 V695 I696 F701 F702 V703 L720 L723 I731 A734 V735 A738 | L687-I699 HydrophobicContact CD2-CG1 3.92Å; V695-I699 HydrophobicContact CG1-CD1 4Å; V695-I699 HydrophobicContact CG1-CG1 4.47Å; V695-I699 VanDerWaalsContact O-CG1 3.29Å; V695-I699 WeakPolarHBondContact O-CG1 3.41Å; V695-I699 PolarHBondContact O-N 3.27Å; I696-I699 PolarHBondContact O-N 3.41Å; I699-F701 VanDerWaalsContact C-N 3.31Å; I699-F701 PolarHBondContact O-N 3.48Å; I699-F702 PolarHBondContact O-N 3.38Å; I699-V703 WeakPolarHBondContact O-CG2 3.25Å; I699-V703 PolarHBondContact O-N 3.43Å; I699-L720 HydrophobicContact CB-CD1 4.27Å; I699-L720 HydrophobicContact CG1-CD1 4.1Å; I699-L720 HydrophobicContact CG1-CG 4.15Å; I699-L720 HydrophobicContact CG2-CD1 4.03Å; I699-L723 HydrophobicContact CD1-CD1 4.27Å; I699-I731 HydrophobicContact CD1-CG2 4.49Å; I699-A734 HydrophobicContact CD1-CB 3.84Å; I699-A734 HydrophobicContact CG2-CB 4.28Å; I699-V735 HydrophobicContact CD1-CG2 4.01Å; I699-A738 HydrophobicContact CG2-CB 3.72Å |
| 700 | E | 96.2 | Very high | 93 | Very high | 83 Ų | 83 | 36.8 Ų | 36.8 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 178.4 | -176 | 169.3 | -161.6 | 0 | 0 | 111.5 | K438 I696 A698 I704 | K438-E700 IonicContact NZ-OE2 3.35Å; I696-E700 WeakPolarHBondContact O-CB 3.05Å; I696-E700 PolarHBondContact O-N 3.27Å; A698-E700 VanDerWaalsContact C-N 3.34Å; A698-E700 PolarHBondContact O-N 2.94Å; E700-I704 HydrophobicContact CG-CD1 3.78Å; E700-I704 WeakPolarHBondContact O-CB 3.32Å; E700-I704 WeakPolarHBondContact O-CG1 3.45Å; E700-I704 PolarHBondContact O-N 3.45Å |
| 701 | F | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 172.6 | 170.8 | -93.1 | 0 | 0 | 0 | 112.3 | I444 I680 F683 E697 A698 I699 V703 I704 A705 L713 | I444-F701 HydrophobicContact CD1-CD2 4.01Å; I444-F701 HydrophobicContact CD1-CE2 3.24Å; I444-F701 HydrophobicContact CD1-CZ 3.98Å; I680-F701 HydrophobicContact CG1-CE1 4.15Å; I680-F701 HydrophobicContact CG1-CZ 4.02Å; F683-F701 HydrophobicContact CB-CD1 3.8Å; F683-F701 HydrophobicContact CB-CE1 4.09Å; F683-F701 HydrophobicContact CB-CG 4.43Å; F683-F701 HydrophobicContact CD1-CB 3.94Å; F683-F701 HydrophobicContact CD1-CD1 4.31Å; F683-F701 HydrophobicContact CD1-CG 4.12Å; F683-F701 HydrophobicContact CD2-CB 4.03Å; F683-F701 AromaticContact CD2-CD1 3.36Å; F683-F701 HydrophobicContact CD2-CD1 3.36Å; F683-F701 AromaticContact CD2-CD2 3.43Å; F683-F701 HydrophobicContact CD2-CD2 3.43Å; F683-F701 VanDerWaalsContact CD2-CD2 3.43Å; F683-F701 AromaticContact CD2-CE1 3.52Å; F683-F701 HydrophobicContact CD2-CE1 3.52Å; F683-F701 AromaticContact CD2-CE2 3.52Å; F683-F701 HydrophobicContact CD2-CE2 3.52Å; F683-F701 AromaticContact CD2-CG 3.32Å; F683-F701 HydrophobicContact CD2-CG 3.32Å; F683-F701 AromaticContact CD2-CZ 3.59Å; F683-F701 HydrophobicContact CD2-CZ 3.59Å; F683-F701 HydrophobicContact CE1-CB 3.72Å; F683-F701 HydrophobicContact CE1-CD2 4.46Å; F683-F701 HydrophobicContact CE1-CG 4.09Å; F683-F701 HydrophobicContact CE2-CB 3.87Å; F683-F701 AromaticContact CE2-CD1 3.91Å; F683-F701 HydrophobicContact CE2-CD1 3.91Å; F683-F701 AromaticContact CE2-CD2 3.06Å; F683-F701 HydrophobicContact CE2-CD2 3.06Å; F683-F701 HydrophobicContact CE2-CE1 4.21Å; F683-F701 AromaticContact CE2-CE2 3.37Å; F683-F701 HydrophobicContact CE2-CE2 3.37Å; F683-F701 AromaticContact CE2-CG 3.34Å; F683-F701 HydrophobicContact CE2-CG 3.34Å; F683-F701 AromaticContact CE2-CZ 3.96Å; F683-F701 HydrophobicContact CE2-CZ 3.96Å; F683-F701 HydrophobicContact CG-CB 4.06Å; F683-F701 AromaticContact CG-CD1 3.58Å; F683-F701 HydrophobicContact CG-CD1 3.58Å; F683-F701 HydrophobicContact CG-CD2 4.28Å; F683-F701 HydrophobicContact CG-CE1 4.05Å; F683-F701 AromaticContact CG-CG 3.72Å; F683-F701 HydrophobicContact CG-CG 3.72Å; F683-F701 HydrophobicContact CZ-CB 3.68Å; F683-F701 AromaticContact CZ-CD2 3.64Å; F683-F701 HydrophobicContact CZ-CD2 3.64Å; F683-F701 HydrophobicContact CZ-CE2 4.35Å; F683-F701 AromaticContact CZ-CG 3.72Å; F683-F701 HydrophobicContact CZ-CG 3.72Å; E697-F701 WeakPolarHBondContact O-CB 3.39Å; E697-F701 PolarHBondContact O-N 3Å; A698-F701 WeakPolarHBondContact O-CB 3.35Å; A698-F701 PolarHBondContact O-N 3.46Å; I699-F701 VanDerWaalsContact C-N 3.31Å; I699-F701 PolarHBondContact O-N 3.48Å; F701-V703 VanDerWaalsContact C-N 3.32Å; F701-V703 PolarHBondContact O-N 2.87Å; F701-I704 PolarHBondContact O-N 3.2Å; F701-A705 HydrophobicContact CE1-CB 4.26Å; F701-A705 HydrophobicContact CZ-CB 4.31Å; F701-A705 WeakPolarHBondContact O-CB 3.46Å; F701-A705 PolarHBondContact O-N 3.12Å; F701-L713 HydrophobicContact CE1-CD2 4.48Å |
| 702 | F | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | -177.3 | -81.2 | -66.7 | 0 | 0 | 0 | 112.6 | I680 F683 Q684 L687 A698 I699 K706 L713 I717 L720 | I680-F702 HydrophobicContact CG2-CE1 4.39Å; F683-F702 HydrophobicContact CB-CE2 3.89Å; F683-F702 HydrophobicContact CB-CZ 4.03Å; Q684-F702 HydrophobicContact CG-CZ 3.81Å; L687-F702 HydrophobicContact CD1-CD2 3.97Å; L687-F702 HydrophobicContact CD1-CE2 3.6Å; L687-F702 HydrophobicContact CD1-CZ 4.48Å; L687-F702 HydrophobicContact CD2-CD2 4.44Å; L687-F702 HydrophobicContact CG-CD2 4.44Å; L687-F702 HydrophobicContact CG-CE2 4.09Å; A698-F702 WeakPolarHBondContact O-CD2 3.41Å; A698-F702 PolarHBondContact O-N 2.93Å; I699-F702 PolarHBondContact O-N 3.38Å; F702-K706 VanDerWaalsContact O-CB 3.32Å; F702-K706 WeakPolarHBondContact O-CB 3.37Å; F702-K706 PolarHBondContact O-N 3.31Å; F702-L713 HydrophobicContact CD1-CB 4.31Å; F702-L713 HydrophobicContact CD1-CD2 3.99Å; F702-L713 HydrophobicContact CE1-CD2 4.01Å; F702-I717 HydrophobicContact CD1-CG1 4.47Å; F702-L720 HydrophobicContact CB-CD1 4.03Å |
| 703 | V | 93.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -52 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | I699 F701 K706 Q707 A738 K741 L742 | I699-V703 WeakPolarHBondContact O-CG2 3.25Å; I699-V703 PolarHBondContact O-N 3.43Å; F701-V703 VanDerWaalsContact C-N 3.32Å; F701-V703 PolarHBondContact O-N 2.87Å; V703-K706 PolarHBondContact O-N 3.1Å; V703-Q707 WeakPolarHBondContact O-CG 3.41Å; V703-Q707 PolarHBondContact O-N 3.14Å; V703-A738 HydrophobicContact CG2-CB 3.41Å; V703-A738 VanDerWaalsContact CG2-CB 3.41Å; V703-K741 HydrophobicContact CG1-CB 3.99Å; V703-K741 HydrophobicContact CG1-CD 3.79Å; V703-L742 HydrophobicContact CG2-CD1 4.43Å; V703-L742 HydrophobicContact CG2-CG 4.4Å |
| 704 | I | 91 | Very high | 92 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | -177.9 | -71.2 | 173.2 | 0 | 0 | 0 | 111.3 | T441 L445 E700 F701 K706 Q707 A708 | T441-I704 HydrophobicContact CG2-CB 3.97Å; T441-I704 HydrophobicContact CG2-CD1 3.49Å; T441-I704 VanDerWaalsContact CG2-CD1 3.49Å; T441-I704 HydrophobicContact CG2-CG1 4.3Å; T441-I704 HydrophobicContact CG2-CG2 3.93Å; L445-I704 HydrophobicContact CD1-CG2 4.02Å; L445-I704 HydrophobicContact CD2-CG2 3.75Å; L445-I704 HydrophobicContact CG-CG2 3.8Å; E700-I704 HydrophobicContact CG-CD1 3.78Å; E700-I704 WeakPolarHBondContact O-CB 3.32Å; E700-I704 WeakPolarHBondContact O-CG1 3.45Å; E700-I704 PolarHBondContact O-N 3.45Å; F701-I704 PolarHBondContact O-N 3.2Å; I704-K706 VanDerWaalsContact C-N 3.34Å; I704-K706 PolarHBondContact O-N 3.42Å; I704-Q707 PolarHBondContact O-N 2.99Å; I704-A708 WeakPolarHBondContact O-CB 3.32Å; I704-A708 PolarHBondContact O-N 3.15Å |
| 705 | A | 92 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F701 A708 G709 I710 L713 | F701-A705 HydrophobicContact CE1-CB 4.26Å; F701-A705 HydrophobicContact CZ-CB 4.31Å; F701-A705 WeakPolarHBondContact O-CB 3.46Å; F701-A705 PolarHBondContact O-N 3.12Å; A705-A708 CarbonylContact O-C 3.16Å; A705-A708 PolarHBondContact O-N 3.2Å; A705-G709 PolarHBondContact O-N 2.67Å; A705-I710 HydrophobicContact CB-CB 4.3Å; A705-I710 HydrophobicContact CB-CD1 4.03Å; A705-I710 WeakPolarHBondContact O-CB 3.31Å; A705-I710 PolarHBondContact O-N 3.07Å; A705-L713 HydrophobicContact CB-CD1 3.7Å; A705-L713 HydrophobicContact CB-CD2 3.96Å |
| 706 | K | 89.2 | Confident | 91.3 | Very high | 102 Ų | 102 | 38.3 Ų | 38.3 | 44% | 0.443 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.8 | -173.9 | 63.7 | 171 | -173 | 0 | 111.6 | F702 V703 I704 A708 G709 L713 I717 L742 | F702-K706 VanDerWaalsContact O-CB 3.32Å; F702-K706 WeakPolarHBondContact O-CB 3.37Å; F702-K706 PolarHBondContact O-N 3.31Å; V703-K706 PolarHBondContact O-N 3.1Å; I704-K706 VanDerWaalsContact C-N 3.34Å; I704-K706 PolarHBondContact O-N 3.42Å; K706-A708 PolarHBondContact O-N 2.98Å; K706-G709 PolarHBondContact O-N 3.08Å; K706-L713 HydrophobicContact CB-CD1 3.91Å; K706-L713 HydrophobicContact CD-CD1 4.31Å; K706-L713 VanDerWaalsContact N-CD1 3.33Å; K706-I717 HydrophobicContact CB-CD1 4.4Å; K706-I717 HydrophobicContact CD-CD1 4.07Å; K706-I717 HydrophobicContact CG-CD1 4.25Å; K706-L742 HydrophobicContact CB-CD2 3.68Å; K706-L742 HydrophobicContact CG-CD2 3.64Å |
| 707 | Q | 85.2 | Confident | 91.1 | Very high | 103 Ų | 103 | 36 Ų | 36 | 48% | 0.481 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.5 | -32.1 | 174.2 | -71.6 | 177.8 | -19.3 | 0 | 0 | 112.3 | V703 I704 G709 | V703-Q707 WeakPolarHBondContact O-CG 3.41Å; V703-Q707 PolarHBondContact O-N 3.14Å; I704-Q707 PolarHBondContact O-N 2.99Å; Q707-G709 PolarHBondContact O-N 3.2Å |
| 708 | A | 84.3 | Confident | 90.7 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I444 L445 K451 I704 A705 K706 | I444-A708 HydrophobicContact CG2-CB 3.88Å; L445-A708 HydrophobicContact CD2-CB 4.42Å; K451-A708 WeakPolarHBondContact CE-O 3.22Å; K451-A708 WeakPolarHBondContact CG-O 3.28Å; I704-A708 WeakPolarHBondContact O-CB 3.32Å; I704-A708 PolarHBondContact O-N 3.15Å; A705-A708 CarbonylContact O-C 3.16Å; A705-A708 PolarHBondContact O-N 3.2Å; K706-A708 PolarHBondContact O-N 2.98Å |
| 709 | G | 82.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 23.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A705 K706 Q707 | A705-G709 PolarHBondContact O-N 2.67Å; K706-G709 PolarHBondContact O-N 3.08Å; Q707-G709 PolarHBondContact O-N 3.2Å |
| 710 | I | 87.1 | Confident | 90.3 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | trans | -73.7 | 137.6 | 175.6 | -64.9 | -179.3 | 0 | 0 | 0 | 110.2 | I444 A450 I676 I680 A705 L713 | I444-I710 HydrophobicContact CB-CD1 4.23Å; I444-I710 HydrophobicContact CD1-CD1 3.68Å; I444-I710 HydrophobicContact CG1-CD1 3.84Å; I444-I710 HydrophobicContact CG2-CD1 3.39Å; I444-I710 HydrophobicContact CG2-CG1 4.37Å; A450-I710 HydrophobicContact CB-CD1 4.22Å; A450-I710 HydrophobicContact CB-CG1 4.38Å; I676-I710 HydrophobicContact CG2-CD1 4.21Å; I680-I710 HydrophobicContact CD1-CG2 3.96Å; A705-I710 HydrophobicContact CB-CB 4.3Å; A705-I710 HydrophobicContact CB-CD1 4.03Å; A705-I710 WeakPolarHBondContact O-CB 3.31Å; A705-I710 PolarHBondContact O-N 3.07Å; I710-L713 HydrophobicContact CB-CD1 4.24Å; I710-L713 HydrophobicContact CG2-CD2 4.15Å; I710-L713 HydrophobicContact CG2-CG 4.33Å; I710-L713 WeakPolarHBondContact O-CD1 3.31Å | ||
| 711 | K | 85.3 | Confident | 90 | Very high | 101 Ų | 101 | 38.7 Ų | 38.7 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -91.2 | 157.8 | 177.1 | -58.5 | -178.8 | -173.2 | 175.7 | 0 | 111.4 | T453 E456 | T453-K711 HydrophobicContact CG2-CD 3.61Å; E456-K711 IonicContact OE1-NZ 2.67Å; E456-K711 PolarHBondContact OE1-NZ 3.08Å; E456-K711 IonicContact OE2-NZ 3.41Å |
| 712 | G | 86.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 85.3 | 22.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I680 E714 | I680-G712 WeakPolarHBondContact CG2-O 3.45Å; G712-E714 WeakPolarHBondContact CA-OE2 3.2Å; G712-E714 PolarHBondContact N-OE2 3.13Å |
| 713 | L | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -95.2 | -5.3 | -177.9 | -58 | 177.4 | 0 | 0 | 0 | 113.1 | I680 F701 F702 A705 K706 I710 N715 G716 I717 | I680-L713 HydrophobicContact CD1-CD2 3.9Å; I680-L713 HydrophobicContact CG1-CD2 3.92Å; I680-L713 HydrophobicContact CG2-CD2 4.38Å; F701-L713 HydrophobicContact CE1-CD2 4.48Å; F702-L713 HydrophobicContact CD1-CB 4.31Å; F702-L713 HydrophobicContact CD1-CD2 3.99Å; F702-L713 HydrophobicContact CE1-CD2 4.01Å; A705-L713 HydrophobicContact CB-CD1 3.7Å; A705-L713 HydrophobicContact CB-CD2 3.96Å; K706-L713 HydrophobicContact CB-CD1 3.91Å; K706-L713 HydrophobicContact CD-CD1 4.31Å; K706-L713 VanDerWaalsContact N-CD1 3.33Å; I710-L713 HydrophobicContact CB-CD1 4.24Å; I710-L713 HydrophobicContact CG2-CD2 4.15Å; I710-L713 HydrophobicContact CG2-CG 4.33Å; I710-L713 WeakPolarHBondContact O-CD1 3.31Å; L713-N715 PolarHBondContact O-N 2.89Å; L713-G716 PolarHBondContact O-N 2.94Å; L713-G716 VanDerWaalsContact O-N 3.11Å; L713-I717 HydrophobicContact CB-CD1 3.96Å; L713-I717 HydrophobicContact CB-CG1 4.34Å; L713-I717 WeakPolarHBondContact O-CG1 3.23Å; L713-I717 PolarHBondContact O-N 3.42Å | ||
| 714 | E | 88.6 | Confident | 89.7 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.6 | -51.8 | -165.6 | -62.7 | 72.9 | -156.3 | 0 | 0 | 111.7 | G712 G716 I717 R718 | G712-E714 WeakPolarHBondContact CA-OE2 3.2Å; G712-E714 PolarHBondContact N-OE2 3.13Å; E714-G716 VanDerWaalsContact C-N 3.31Å; E714-G716 PolarHBondContact O-N 3.29Å; E714-I717 PolarHBondContact O-N 3.09Å; E714-R718 PolarHBondContact O-N 3.5Å |
| 715 | N | 88.5 | Confident | 89.8 | Confident | 99 Ų | 99 | 47.5 Ų | 47.5 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 179.1 | -65.6 | -1.8 | 0 | 0 | 0 | 112.4 | L713 R718 L719 | L713-N715 PolarHBondContact O-N 2.89Å; N715-R718 PolarHBondContact O-N 3.3Å; N715-L719 WeakPolarHBondContact O-CG 3.49Å; N715-L719 PolarHBondContact O-N 3.2Å; N715-L719 VanDerWaalsContact O-N 3.1Å |
| 716 | G | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L687 L713 E714 L720 | L687-G716 VanDerWaalsContact CD1-O 3.28Å; L687-G716 WeakPolarHBondContact CD1-O 3.21Å; L713-G716 PolarHBondContact O-N 2.94Å; L713-G716 VanDerWaalsContact O-N 3.11Å; E714-G716 VanDerWaalsContact C-N 3.31Å; E714-G716 PolarHBondContact O-N 3.29Å; G716-L720 WeakPolarHBondContact O-CB 3.29Å; G716-L720 PolarHBondContact O-N 3.39Å |
| 717 | I | 91.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 175.1 | -66.9 | 171.2 | 0 | 0 | 0 | 110.6 | F702 K706 L713 E714 L720 L721 L742 Y743 | F702-I717 HydrophobicContact CD1-CG1 4.47Å; K706-I717 HydrophobicContact CB-CD1 4.4Å; K706-I717 HydrophobicContact CD-CD1 4.07Å; K706-I717 HydrophobicContact CG-CD1 4.25Å; L713-I717 HydrophobicContact CB-CD1 3.96Å; L713-I717 HydrophobicContact CB-CG1 4.34Å; L713-I717 WeakPolarHBondContact O-CG1 3.23Å; L713-I717 PolarHBondContact O-N 3.42Å; E714-I717 PolarHBondContact O-N 3.09Å; I717-L720 WeakPolarHBondContact O-CB 3.42Å; I717-L720 PolarHBondContact O-N 3.36Å; I717-L721 WeakPolarHBondContact O-CG 3.37Å; I717-L721 PolarHBondContact O-N 3.3Å; I717-L742 HydrophobicContact CG2-CD1 4.38Å; I717-Y743 WeakPolarHBondContact CG2-OH 3.44Å |
| 718 | R | 89 | Confident | 90 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 174.8 | -73.5 | -175.9 | -178.9 | 152.9 | -0.6 | 112 | E714 N715 L720 L721 T722 D776 E778 D781 | E714-R718 PolarHBondContact O-N 3.5Å; N715-R718 PolarHBondContact O-N 3.3Å; R718-L720 VanDerWaalsContact C-N 3.27Å; R718-L720 PolarHBondContact O-N 3.48Å; R718-L721 PolarHBondContact O-N 2.79Å; R718-T722 PolarHBondContact O-N 3.44Å; R718-D776 PolarHBondContact NH2-O 3.36Å; R718-E778 IonicContact NH1-OE1 3.5Å; R718-D781 IonicContact NE-OD2 3.45Å |
| 719 | L | 92.7 | Very high | 90.3 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 174.6 | -73.2 | 170.5 | 0 | 0 | 0 | 111.4 | L687 N715 L721 T722 L723 | L687-L719 HydrophobicContact CD1-CB 3.84Å; N715-L719 WeakPolarHBondContact O-CG 3.49Å; N715-L719 PolarHBondContact O-N 3.2Å; N715-L719 VanDerWaalsContact O-N 3.1Å; L719-L721 VanDerWaalsContact C-N 3.32Å; L719-L721 PolarHBondContact O-N 3.19Å; L719-T722 PolarHBondContact O-N 3.26Å; L719-T722 PolarHBondContact O-OG1 3.28Å; L719-L723 PolarHBondContact O-N 2.92Å |
| 720 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | 175.8 | 174.7 | 163.9 | 0 | 0 | 0 | 112.7 | L687 I699 F702 G716 I717 R718 T722 L723 V735 A738 | L687-L720 HydrophobicContact CD1-CB 4.31Å; L687-L720 HydrophobicContact CD2-CB 4.45Å; I699-L720 HydrophobicContact CB-CD1 4.27Å; I699-L720 HydrophobicContact CG1-CD1 4.1Å; I699-L720 HydrophobicContact CG1-CG 4.15Å; I699-L720 HydrophobicContact CG2-CD1 4.03Å; F702-L720 HydrophobicContact CB-CD1 4.03Å; G716-L720 WeakPolarHBondContact O-CB 3.29Å; G716-L720 PolarHBondContact O-N 3.39Å; I717-L720 WeakPolarHBondContact O-CB 3.42Å; I717-L720 PolarHBondContact O-N 3.36Å; R718-L720 VanDerWaalsContact C-N 3.27Å; R718-L720 PolarHBondContact O-N 3.48Å; L720-T722 VanDerWaalsContact C-N 3.33Å; L720-T722 PolarHBondContact O-N 3.11Å; L720-L723 WeakPolarHBondContact O-CB 3.43Å; L720-L723 PolarHBondContact O-N 2.88Å; L720-V735 HydrophobicContact CD2-CG1 4.33Å; L720-A738 HydrophobicContact CD1-CB 4.31Å; L720-A738 HydrophobicContact CD2-CB 4.15Å |
| 721 | L | 91.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 179.6 | -64.9 | 179.4 | 0 | 0 | 0 | 112.1 | I717 R718 L719 L723 I724 C739 Y743 F773 I788 | I717-L721 WeakPolarHBondContact O-CG 3.37Å; I717-L721 PolarHBondContact O-N 3.3Å; R718-L721 PolarHBondContact O-N 2.79Å; L719-L721 VanDerWaalsContact C-N 3.32Å; L719-L721 PolarHBondContact O-N 3.19Å; L721-L723 PolarHBondContact O-N 3.36Å; L721-I724 VanDerWaalsContact O-CG2 3.32Å; L721-I724 WeakPolarHBondContact O-CG2 3.31Å; L721-I724 PolarHBondContact O-N 2.61Å; L721-C739 WeakPolarHBondContact CD2-SG 3.46Å; L721-Y743 HydrophobicContact CD2-CE2 4.4Å; L721-F773 HydrophobicContact CD1-CD2 4.47Å; L721-F773 HydrophobicContact CD1-CE2 3.33Å; L721-F773 HydrophobicContact CD1-CZ 3.61Å; L721-I788 HydrophobicContact CD2-CD1 3.86Å |
| 722 | T | 91.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -22.5 | 177.6 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | R718 L719 L720 I724 W725 | R718-T722 PolarHBondContact O-N 3.44Å; L719-T722 PolarHBondContact O-N 3.26Å; L719-T722 PolarHBondContact O-OG1 3.28Å; L720-T722 VanDerWaalsContact C-N 3.33Å; L720-T722 PolarHBondContact O-N 3.11Å; T722-I724 PolarHBondContact O-N 2.78Å; T722-W725 WeakPolarHBondContact O-CB 3.37Å; T722-W725 PolarHBondContact O-N 2.74Å |
| 723 | L | 95 | Very high | 92 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.1 | -7.4 | 177.1 | -63.5 | 177.9 | 0 | 0 | 0 | 113.9 | L687 V695 I699 L719 L720 L721 W725 S726 I731 V735 | L687-L723 HydrophobicContact CB-CD1 4.36Å; L687-L723 HydrophobicContact CD2-CD1 3.86Å; V695-L723 HydrophobicContact CG1-CD1 3.59Å; I699-L723 HydrophobicContact CD1-CD1 4.27Å; L719-L723 PolarHBondContact O-N 2.92Å; L720-L723 WeakPolarHBondContact O-CB 3.43Å; L720-L723 PolarHBondContact O-N 2.88Å; L721-L723 PolarHBondContact O-N 3.36Å; L723-W725 PolarHBondContact O-N 2.77Å; L723-W725 VanDerWaalsContact O-N 3.16Å; L723-S726 WeakPolarHBondContact O-CB 2.85Å; L723-S726 PolarHBondContact O-N 2.74Å; L723-I731 HydrophobicContact CB-CG2 3.91Å; L723-I731 HydrophobicContact CD1-CG2 4.3Å; L723-V735 HydrophobicContact CB-CG2 3.62Å |
| 724 | I | 93.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -58.7 | -23 | 168.1 | -163.2 | 64.3 | 0 | 0 | 0 | 112.4 | L721 T722 K732 V735 I736 R787 I788 | L721-I724 VanDerWaalsContact O-CG2 3.32Å; L721-I724 WeakPolarHBondContact O-CG2 3.31Å; L721-I724 PolarHBondContact O-N 2.61Å; T722-I724 PolarHBondContact O-N 2.78Å; I724-K732 VanDerWaalsContact O-CE 3.26Å; I724-K732 WeakPolarHBondContact O-CE 3.35Å; I724-V735 HydrophobicContact CB-CG1 4.26Å; I724-V735 HydrophobicContact CD1-CG1 4.41Å; I724-I736 HydrophobicContact CD1-CD1 4.22Å; I724-I736 HydrophobicContact CD1-CG1 3.84Å; I724-R787 HydrophobicContact CG1-CB 4.28Å; I724-R787 HydrophobicContact CG1-CG 3.82Å; I724-R787 HydrophobicContact CG2-CB 4.41Å; I724-I788 HydrophobicContact CB-CG1 4.12Å; I724-I788 HydrophobicContact CD1-CG1 3.95Å; I724-I788 HydrophobicContact CG1-CG1 3.83Å |
| 725 | W | 92.2 | Very high | 92.5 | Very high | 128 Ų | 128 | 53.3 Ų | 53.3 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -83.7 | -8.6 | 177.8 | -59.3 | 103.2 | 0 | 0 | 0 | 113.8 | T722 L723 V783 S784 R787 | T722-W725 WeakPolarHBondContact O-CB 3.37Å; T722-W725 PolarHBondContact O-N 2.74Å; L723-W725 PolarHBondContact O-N 2.77Å; L723-W725 VanDerWaalsContact O-N 3.16Å; W725-V783 HydrophobicContact CH2-CG1 4.1Å; W725-V783 HydrophobicContact CZ2-CG1 3.51Å; W725-S784 PolarHBondContact NE1-OG 3.17Å; W725-R787 HydrophobicContact CZ2-CB 4.32Å |
| 726 | S | 91.2 | Very high | 92.7 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | trans | -57 | 148.4 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | L723 E728 K732 | L723-S726 WeakPolarHBondContact O-CB 2.85Å; L723-S726 PolarHBondContact O-N 2.74Å; S726-E728 VanDerWaalsContact C-N 3.26Å; S726-E728 PolarHBondContact O-N 3.3Å; S726-E728 PolarHBondContact OG-N 3.07Å; S726-K732 WeakPolarHBondContact O-CE 3.34Å; S726-K732 PolarHBondContact O-NZ 3.46Å | ||
| 727 | Q | 88.6 | Confident | 92.7 | Very high | 168 Ų | 168 | 54.7 Ų | 54.7 | 79% | 0.785 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -75.8 | -16.5 | 174.1 | -60 | -57.8 | -19.2 | 0 | 0 | 113 | ||
| 728 | E | 90.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | trans | -81.4 | 119.4 | -176.3 | -65.7 | -59.3 | 148.4 | 0 | 0 | 112.8 | I692 S726 T730 I731 K732 | I692-E728 HydrophobicContact CD1-CG 4.28Å; I692-E728 HydrophobicContact CG1-CG 4.45Å; S726-E728 VanDerWaalsContact C-N 3.26Å; S726-E728 PolarHBondContact O-N 3.3Å; S726-E728 PolarHBondContact OG-N 3.07Å; E728-T730 VanDerWaalsContact C-N 3.29Å; E728-T730 PolarHBondContact O-N 2.86Å; E728-I731 HydrophobicContact CB-CB 4.13Å; E728-I731 HydrophobicContact CB-CD1 3.84Å; E728-I731 HydrophobicContact CB-CG1 3.89Å; E728-I731 HydrophobicContact CG-CD1 4.17Å; E728-I731 PolarHBondContact O-N 3.05Å; E728-K732 PolarHBondContact O-N 3.32Å; E728-K732 VanDerWaalsContact O-N 3.08Å | ||
| 729 | E | 91.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 50.7 Ų | 50.7 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.3 | -31.8 | -177.9 | -176 | 60.8 | -163.9 | 0 | 0 | 112.8 | K733 | E729-K733 HydrophobicContact CG-CD 4.45Å; E729-K733 WeakPolarHBondContact O-CG 3.46Å; E729-K733 PolarHBondContact O-N 3.3Å; E729-K733 WeakPolarHBondContact OE1-CE 3.38Å; E729-K733 IonicContact OE1-NZ 3.61Å |
| 730 | T | 94.2 | Very high | 92.7 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.7 | -37.3 | 176.4 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | I692 E728 A734 | I692-T730 WeakPolarHBondContact CG2-OG1 3.17Å; E728-T730 VanDerWaalsContact C-N 3.29Å; E728-T730 PolarHBondContact O-N 2.86Å; T730-A734 WeakPolarHBondContact O-CB 3.48Å; T730-A734 PolarHBondContact O-N 3.06Å; T730-A734 VanDerWaalsContact O-N 3.13Å |
| 731 | I | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.2 | -47.7 | 176.8 | -62.9 | 179.6 | 0 | 0 | 0 | 109.2 | I692 V695 I699 L723 E728 K733 A734 V735 | I692-I731 HydrophobicContact CG2-CG1 4.34Å; V695-I731 HydrophobicContact CB-CD1 4.27Å; V695-I731 HydrophobicContact CG1-CD1 4.09Å; V695-I731 HydrophobicContact CG1-CG1 4.29Å; V695-I731 HydrophobicContact CG1-CG2 4.11Å; V695-I731 HydrophobicContact CG2-CD1 4.34Å; I699-I731 HydrophobicContact CD1-CG2 4.49Å; L723-I731 HydrophobicContact CB-CG2 3.91Å; L723-I731 HydrophobicContact CD1-CG2 4.3Å; E728-I731 HydrophobicContact CB-CB 4.13Å; E728-I731 HydrophobicContact CB-CD1 3.84Å; E728-I731 HydrophobicContact CB-CG1 3.89Å; E728-I731 HydrophobicContact CG-CD1 4.17Å; E728-I731 PolarHBondContact O-N 3.05Å; I731-K733 VanDerWaalsContact C-N 3.32Å; I731-K733 PolarHBondContact O-N 3.4Å; I731-A734 WeakPolarHBondContact O-CB 3.46Å; I731-A734 PolarHBondContact O-N 2.76Å; I731-A734 VanDerWaalsContact O-N 3.08Å; I731-V735 HydrophobicContact CG2-CG2 4.27Å; I731-V735 WeakPolarHBondContact O-CG2 3.5Å; I731-V735 PolarHBondContact O-N 2.63Å |
| 732 | K | 94.1 | Very high | 92.3 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.3 | -47.3 | 176.1 | -75.6 | 179.9 | 170.7 | 128.8 | 0 | 112.7 | I724 S726 E728 V735 I736 | I724-K732 VanDerWaalsContact O-CE 3.26Å; I724-K732 WeakPolarHBondContact O-CE 3.35Å; S726-K732 WeakPolarHBondContact O-CE 3.34Å; S726-K732 PolarHBondContact O-NZ 3.46Å; E728-K732 PolarHBondContact O-N 3.32Å; E728-K732 VanDerWaalsContact O-N 3.08Å; K732-V735 PolarHBondContact O-N 2.76Å; K732-I736 VanDerWaalsContact O-CD1 3.24Å; K732-I736 WeakPolarHBondContact O-CD1 3.26Å; K732-I736 WeakPolarHBondContact O-CG1 3.41Å; K732-I736 PolarHBondContact O-N 2.95Å |
| 733 | K | 93.5 | Very high | 92.2 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 47% | 0.47 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.9 | -74.4 | 176.5 | -178.9 | 175.4 | 0 | 112 | E729 I731 V735 I736 E737 | E729-K733 HydrophobicContact CG-CD 4.45Å; E729-K733 WeakPolarHBondContact O-CG 3.46Å; E729-K733 PolarHBondContact O-N 3.3Å; E729-K733 WeakPolarHBondContact OE1-CE 3.38Å; E729-K733 IonicContact OE1-NZ 3.61Å; I731-K733 VanDerWaalsContact C-N 3.32Å; I731-K733 PolarHBondContact O-N 3.4Å; K733-V735 VanDerWaalsContact C-N 3.34Å; K733-V735 PolarHBondContact O-N 2.83Å; K733-I736 PolarHBondContact O-N 3.38Å; K733-E737 WeakPolarHBondContact O-CB 3.35Å; K733-E737 WeakPolarHBondContact O-CG 3.47Å; K733-E737 PolarHBondContact O-N 3.32Å |
| 734 | A | 95 | Very high | 91.8 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I699 T730 I731 A738 | I699-A734 HydrophobicContact CD1-CB 3.84Å; I699-A734 HydrophobicContact CG2-CB 4.28Å; T730-A734 WeakPolarHBondContact O-CB 3.48Å; T730-A734 PolarHBondContact O-N 3.06Å; T730-A734 VanDerWaalsContact O-N 3.13Å; I731-A734 WeakPolarHBondContact O-CB 3.46Å; I731-A734 PolarHBondContact O-N 2.76Å; I731-A734 VanDerWaalsContact O-N 3.08Å; A734-A738 WeakPolarHBondContact O-CB 3.09Å; A734-A738 PolarHBondContact O-N 2.9Å |
| 735 | V | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | I699 L720 L723 I724 I731 K732 K733 E737 A738 C739 I788 | I699-V735 HydrophobicContact CD1-CG2 4.01Å; L720-V735 HydrophobicContact CD2-CG1 4.33Å; L723-V735 HydrophobicContact CB-CG2 3.62Å; I724-V735 HydrophobicContact CB-CG1 4.26Å; I724-V735 HydrophobicContact CD1-CG1 4.41Å; I731-V735 HydrophobicContact CG2-CG2 4.27Å; I731-V735 WeakPolarHBondContact O-CG2 3.5Å; I731-V735 PolarHBondContact O-N 2.63Å; K732-V735 PolarHBondContact O-N 2.76Å; K733-V735 VanDerWaalsContact C-N 3.34Å; K733-V735 PolarHBondContact O-N 2.83Å; V735-E737 PolarHBondContact O-N 2.96Å; V735-A738 WeakPolarHBondContact O-CB 3.48Å; V735-A738 PolarHBondContact O-N 2.75Å; V735-C739 PolarHBondContact O-N 3.05Å; V735-C739 PolarHBondContact O-SG 3.29Å; V735-I788 HydrophobicContact CG1-CD1 4.33Å |
| 736 | I | 92.8 | Very high | 90.7 | Very high | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 179.2 | -65.2 | 155.4 | 0 | 0 | 0 | 111 | I724 K732 K733 A738 C739 Q740 Q791 L792 | I724-I736 HydrophobicContact CD1-CD1 4.22Å; I724-I736 HydrophobicContact CD1-CG1 3.84Å; K732-I736 VanDerWaalsContact O-CD1 3.24Å; K732-I736 WeakPolarHBondContact O-CD1 3.26Å; K732-I736 WeakPolarHBondContact O-CG1 3.41Å; K732-I736 PolarHBondContact O-N 2.95Å; K733-I736 PolarHBondContact O-N 3.38Å; I736-A738 VanDerWaalsContact C-N 3.32Å; I736-A738 PolarHBondContact O-N 3.39Å; I736-C739 PolarHBondContact O-N 3.32Å; I736-Q740 WeakPolarHBondContact O-CB 3.37Å; I736-Q740 PolarHBondContact O-N 3.36Å; I736-Q791 HydrophobicContact CD1-CB 4.21Å; I736-Q791 HydrophobicContact CD1-CG 3.45Å; I736-Q791 VanDerWaalsContact CD1-CG 3.45Å; I736-Q791 HydrophobicContact CG1-CG 4.3Å; I736-L792 HydrophobicContact CG2-CD2 3.53Å; I736-L792 HydrophobicContact CG2-CG 4.02Å |
| 737 | E | 91.8 | Very high | 89.9 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 176.3 | -72.5 | 177.8 | -164.6 | 0 | 0 | 111.9 | K733 V735 Q740 K741 | K733-E737 WeakPolarHBondContact O-CB 3.35Å; K733-E737 WeakPolarHBondContact O-CG 3.47Å; K733-E737 PolarHBondContact O-N 3.32Å; V735-E737 PolarHBondContact O-N 2.96Å; E737-Q740 PolarHBondContact O-N 3.48Å; E737-K741 WeakPolarHBondContact O-CG 3.23Å; E737-K741 PolarHBondContact O-N 3.22Å |
| 738 | A | 93.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -50.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I699 V703 L720 A734 V735 I736 Q740 K741 L742 | I699-A738 HydrophobicContact CG2-CB 3.72Å; V703-A738 HydrophobicContact CG2-CB 3.41Å; V703-A738 VanDerWaalsContact CG2-CB 3.41Å; L720-A738 HydrophobicContact CD1-CB 4.31Å; L720-A738 HydrophobicContact CD2-CB 4.15Å; A734-A738 WeakPolarHBondContact O-CB 3.09Å; A734-A738 PolarHBondContact O-N 2.9Å; V735-A738 WeakPolarHBondContact O-CB 3.48Å; V735-A738 PolarHBondContact O-N 2.75Å; I736-A738 VanDerWaalsContact C-N 3.32Å; I736-A738 PolarHBondContact O-N 3.39Å; A738-Q740 VanDerWaalsContact C-N 3.25Å; A738-Q740 PolarHBondContact O-N 2.96Å; A738-K741 PolarHBondContact O-N 3.36Å; A738-K741 VanDerWaalsContact O-N 3.14Å; A738-L742 WeakPolarHBondContact O-CB 3Å; A738-L742 WeakPolarHBondContact O-CG 3.21Å; A738-L742 PolarHBondContact O-N 3.42Å |
| 739 | C | 90.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 176.8 | -62 | 0 | 0 | 0 | 0 | 112.1 | L721 V735 I736 L742 Y743 I788 | L721-C739 WeakPolarHBondContact CD2-SG 3.46Å; V735-C739 PolarHBondContact O-N 3.05Å; V735-C739 PolarHBondContact O-SG 3.29Å; I736-C739 PolarHBondContact O-N 3.32Å; C739-L742 PolarHBondContact O-N 3Å; C739-Y743 PolarHBondContact O-N 3.4Å; C739-I788 HydrophobicContact CB-CG2 3.76Å; C739-I788 WeakPolarHBondContact SG-CD1 3.35Å |
| 740 | Q | 89.2 | Confident | 87.9 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -59.8 | -49.1 | 175.1 | -175.4 | 178.4 | 13.6 | 0 | 0 | 111.1 | I736 E737 A738 L742 L744 Q745 | I736-Q740 WeakPolarHBondContact O-CB 3.37Å; I736-Q740 PolarHBondContact O-N 3.36Å; E737-Q740 PolarHBondContact O-N 3.48Å; A738-Q740 VanDerWaalsContact C-N 3.25Å; A738-Q740 PolarHBondContact O-N 2.96Å; Q740-L742 VanDerWaalsContact C-N 3.33Å; Q740-L742 PolarHBondContact O-N 3.35Å; Q740-L744 HydrophobicContact CG-CB 4.42Å; Q740-L744 CarbonylContact O-C 3.46Å; Q740-L744 WeakPolarHBondContact O-CA 3.08Å; Q740-L744 WeakPolarHBondContact O-CB 3.38Å; Q740-L744 PolarHBondContact O-N 3.37Å; Q740-Q745 HydrophobicContact CG-CG 4.05Å; Q740-Q745 PolarHBondContact O-N 2.98Å |
| 741 | K | 89.5 | Confident | 87.2 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -66.2 | -32.1 | 177.9 | -73.1 | 172.8 | -177.9 | 173.7 | 0 | 113.5 | V703 E737 A738 | V703-K741 HydrophobicContact CG1-CB 3.99Å; V703-K741 HydrophobicContact CG1-CD 3.79Å; E737-K741 WeakPolarHBondContact O-CG 3.23Å; E737-K741 PolarHBondContact O-N 3.22Å; A738-K741 PolarHBondContact O-N 3.36Å; A738-K741 VanDerWaalsContact O-N 3.14Å |
| 742 | L | 89.4 | Confident | 86.6 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -84.6 | -37.1 | -175 | -71.5 | 177.3 | 0 | 0 | 0 | 113.7 | V703 K706 I717 A738 C739 Q740 | V703-L742 HydrophobicContact CG2-CD1 4.43Å; V703-L742 HydrophobicContact CG2-CG 4.4Å; K706-L742 HydrophobicContact CB-CD2 3.68Å; K706-L742 HydrophobicContact CG-CD2 3.64Å; I717-L742 HydrophobicContact CG2-CD1 4.38Å; A738-L742 WeakPolarHBondContact O-CB 3Å; A738-L742 WeakPolarHBondContact O-CG 3.21Å; A738-L742 PolarHBondContact O-N 3.42Å; C739-L742 PolarHBondContact O-N 3Å; Q740-L742 VanDerWaalsContact C-N 3.33Å; Q740-L742 PolarHBondContact O-N 3.35Å |
| 743 | Y | 88.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -123.3 | -20.4 | -169.7 | -60.5 | -73.6 | 0 | 0 | 0 | 114.5 | I717 L721 C739 F773 M785 | I717-Y743 WeakPolarHBondContact CG2-OH 3.44Å; L721-Y743 HydrophobicContact CD2-CE2 4.4Å; C739-Y743 PolarHBondContact O-N 3.4Å; Y743-F773 HydrophobicContact CD1-CB 4.17Å; Y743-F773 HydrophobicContact CE1-CB 3.92Å; Y743-F773 AromaticContact CE1-CD2 3.71Å; Y743-F773 HydrophobicContact CE1-CD2 3.71Å; Y743-F773 HydrophobicContact CE1-CG 4.11Å; Y743-F773 HydrophobicContact CE2-CD2 4.36Å; Y743-F773 AromaticContact CZ-CD2 3.62Å; Y743-M785 HydrophobicContact CD2-CE 4.08Å; Y743-M785 HydrophobicContact CE2-CE 4.28Å; Y743-M785 HydrophobicContact CG-CE 4.46Å |
| 744 | L | 86 | Confident | 85 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -115.4 | -12 | -172.3 | -62.2 | 169 | 0 | 0 | 0 | 114.4 | Q740 V766 L770 L792 F798 L802 | Q740-L744 HydrophobicContact CG-CB 4.42Å; Q740-L744 CarbonylContact O-C 3.46Å; Q740-L744 WeakPolarHBondContact O-CA 3.08Å; Q740-L744 WeakPolarHBondContact O-CB 3.38Å; Q740-L744 PolarHBondContact O-N 3.37Å; L744-V766 HydrophobicContact CD2-CG1 3.68Å; L744-V766 VanDerWaalsContact O-CG2 3.25Å; L744-V766 WeakPolarHBondContact O-CG2 3.5Å; L744-L770 HydrophobicContact CD2-CD1 4.18Å; L744-L770 HydrophobicContact CD2-CD2 4.44Å; L744-L792 HydrophobicContact CD1-CD1 3.3Å; L744-L792 HydrophobicContact CD1-CG 4.5Å; L744-F798 HydrophobicContact CD2-CE2 4.24Å; L744-L802 HydrophobicContact CD2-CD2 4.19Å |
| 745 | Q | 83 | Confident | 84 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | trans | -110.6 | 116.1 | 178.2 | -72.6 | 179.6 | -10 | 0 | 0 | 110 | Q740 | Q740-Q745 HydrophobicContact CG-CG 4.05Å; Q740-Q745 PolarHBondContact O-N 2.98Å | ||
| 746 | P | 81 | Confident | 83 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 7% | 0.071 | 36% | 0.363 | C | S | . | . | trans | -72.6 | 150.7 | 169.5 | 31 | -35.1 | 0 | 0 | 0 | 111 | S748 Y751 F752 L758 I765 | P746-S748 VanDerWaalsContact C-N 3.31Å; P746-S748 PolarHBondContact O-N 3.27Å; P746-Y751 HydrophobicContact CB-CD2 3.64Å; P746-Y751 HydrophobicContact CB-CE2 4.38Å; P746-Y751 HydrophobicContact CB-CG 4.15Å; P746-Y751 HydrophobicContact CG-CD2 3.97Å; P746-Y751 HydrophobicContact CG-CG 4.07Å; P746-F752 HydrophobicContact CG-CE2 4.05Å; P746-F752 HydrophobicContact CG-CZ 4.18Å; P746-L758 HydrophobicContact CG-CD2 4.06Å; P746-I765 HydrophobicContact CB-CD1 4.4Å; P746-I765 HydrophobicContact CB-CG2 4.15Å | ||
| 747 | D | 72.6 | Confident | 82.4 | Confident | 156 Ų | 156 | 70 Ų | 70 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -65.9 | -26 | -169.9 | -64.7 | -42.8 | 0 | 0 | 0 | 114.8 | ||
| 748 | S | 75.9 | Confident | 81.9 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -101.7 | 136.3 | -176.3 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | P746 E750 Y751 | P746-S748 VanDerWaalsContact C-N 3.31Å; P746-S748 PolarHBondContact O-N 3.27Å; S748-E750 PolarHBondContact O-N 2.9Å; S748-E750 PolarHBondContact OG-N 2.72Å; S748-Y751 WeakPolarHBondContact O-CD2 3.32Å; S748-Y751 PolarHBondContact O-N 3.13Å |
| 749 | E | 74.1 | Confident | 81.6 | Confident | 174 Ų | 174 | 66.7 Ų | 66.7 | 81% | 0.813 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.2 | 174.2 | -67.2 | -174.2 | 174.8 | 0 | 0 | 112.9 | Y751 F752 | E749-Y751 PolarHBondContact O-N 3.19Å; E749-Y751 VanDerWaalsContact O-N 3.16Å; E749-F752 PolarHBondContact O-N 3.48Å; E749-F752 VanDerWaalsContact O-N 3.09Å |
| 750 | E | 78.9 | Confident | 81.4 | Confident | 159 Ų | 159 | 72.9 Ų | 72.9 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.7 | 178.5 | -63.5 | 178.1 | 170.9 | 0 | 0 | 113.2 | S748 F752 | S748-E750 PolarHBondContact O-N 2.9Å; S748-E750 PolarHBondContact OG-N 2.72Å; E750-F752 VanDerWaalsContact C-N 3.26Å; E750-F752 PolarHBondContact O-N 3.12Å |
| 751 | Y | 81.2 | Confident | 81.3 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -84.4 | 1.7 | 178.4 | -60.3 | -57.5 | 0 | 0 | 0 | 113.8 | P746 S748 E749 T759 E761 I765 | P746-Y751 HydrophobicContact CB-CD2 3.64Å; P746-Y751 HydrophobicContact CB-CE2 4.38Å; P746-Y751 HydrophobicContact CB-CG 4.15Å; P746-Y751 HydrophobicContact CG-CD2 3.97Å; P746-Y751 HydrophobicContact CG-CG 4.07Å; S748-Y751 WeakPolarHBondContact O-CD2 3.32Å; S748-Y751 PolarHBondContact O-N 3.13Å; E749-Y751 PolarHBondContact O-N 3.19Å; E749-Y751 VanDerWaalsContact O-N 3.16Å; Y751-T759 WeakPolarHBondContact CA-OG1 3.37Å; Y751-T759 WeakPolarHBondContact O-CG2 3.38Å; Y751-T759 PolarHBondContact O-N 3.37Å; Y751-T759 PolarHBondContact O-OG1 3.38Å; Y751-E761 HydrophobicContact CD1-CB 4.13Å; Y751-E761 HydrophobicContact CE1-CB 4.16Å; Y751-I765 HydrophobicContact CD1-CD1 4.06Å; Y751-I765 HydrophobicContact CD2-CD1 4.09Å; Y751-I765 HydrophobicContact CE1-CD1 3.68Å; Y751-I765 HydrophobicContact CE2-CD1 3.67Å; Y751-I765 HydrophobicContact CG-CD1 4.26Å; Y751-I765 VanDerWaalsContact CZ-CD1 3.46Å |
| 752 | F | 81.3 | Confident | 81.2 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -110 | 135.9 | 174.5 | -61.2 | -89.7 | 0 | 0 | 0 | 110.3 | P746 E749 E750 L758 | P746-F752 HydrophobicContact CG-CE2 4.05Å; P746-F752 HydrophobicContact CG-CZ 4.18Å; E749-F752 PolarHBondContact O-N 3.48Å; E749-F752 VanDerWaalsContact O-N 3.09Å; E750-F752 VanDerWaalsContact C-N 3.26Å; E750-F752 PolarHBondContact O-N 3.12Å; F752-L758 HydrophobicContact CD1-CD2 4.18Å; F752-L758 HydrophobicContact CE1-CD2 3.81Å; F752-L758 HydrophobicContact CZ-CD2 4.24Å |
| 753 | K | 79.4 | Confident | 81.2 | Confident | 86 Ų | 86 | 72.8 Ų | 72.8 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | trans | -73.8 | 166.6 | 170 | -63.7 | -173.4 | -148.6 | 120 | 0 | 109.8 | D755 G756 T757 L758 T759 | K753-D755 WeakPolarHBondContact CB-OD1 3.34Å; K753-D755 PolarHBondContact O-N 2.96Å; K753-G756 PolarHBondContact O-N 2.68Å; K753-T757 WeakPolarHBondContact CB-O 3.47Å; K753-T757 PolarHBondContact N-O 3.49Å; K753-T757 PolarHBondContact NZ-OG1 3.12Å; K753-L758 VanDerWaalsContact CE-O 3.3Å; K753-L758 WeakPolarHBondContact CE-O 3.49Å; K753-L758 PolarHBondContact NZ-O 3.4Å; K753-T759 HydrophobicContact CG-CG2 3.92Å | ||
| 754 | S | 74.6 | Confident | 81.4 | Confident | 139 Ų | 139 | 74.3 Ų | 74.3 | 97% | 0.972 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.8 | 178.3 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 755 | D | 74.8 | Confident | 81.6 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.1 | 174.8 | 64.3 | -3.7 | 0 | 0 | 0 | 113.6 | K753 T757 | K753-D755 WeakPolarHBondContact CB-OD1 3.34Å; K753-D755 PolarHBondContact O-N 2.96Å; D755-T757 WeakPolarHBondContact OD1-CB 3.45Å; D755-T757 PolarHBondContact OD1-N 2.74Å; D755-T757 PolarHBondContact OD1-OG1 2.93Å; D755-T757 PolarHBondContact OD2-OG1 3.19Å |
| 756 | G | 74.6 | Confident | 82 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 90.1 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K753 | K753-G756 PolarHBondContact O-N 2.68Š|
| 757 | T | 79.6 | Confident | 82.5 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 17% | 0.172 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 151.9 | 178.9 | 66 | 0 | 0 | 0 | 0 | 112.2 | K753 D755 D799 | K753-T757 WeakPolarHBondContact CB-O 3.47Å; K753-T757 PolarHBondContact N-O 3.49Å; K753-T757 PolarHBondContact NZ-OG1 3.12Å; D755-T757 WeakPolarHBondContact OD1-CB 3.45Å; D755-T757 PolarHBondContact OD1-N 2.74Å; D755-T757 PolarHBondContact OD1-OG1 2.93Å; D755-T757 PolarHBondContact OD2-OG1 3.19Å; T757-D799 WeakPolarHBondContact CA-OD2 3.19Å |
| 758 | L | 82.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 140.5 | 177.2 | -70.9 | 166.8 | 0 | 0 | 0 | 112.7 | P746 F752 K753 V766 D799 L802 | P746-L758 HydrophobicContact CG-CD2 4.06Å; F752-L758 HydrophobicContact CD1-CD2 4.18Å; F752-L758 HydrophobicContact CE1-CD2 3.81Å; F752-L758 HydrophobicContact CZ-CD2 4.24Å; K753-L758 VanDerWaalsContact CE-O 3.3Å; K753-L758 WeakPolarHBondContact CE-O 3.49Å; K753-L758 PolarHBondContact NZ-O 3.4Å; L758-V766 HydrophobicContact CD1-CG2 4.16Å; L758-D799 PolarHBondContact N-OD2 3.42Å; L758-L802 HydrophobicContact CD1-CB 4.43Å; L758-L802 HydrophobicContact CD1-CD1 4.48Å; L758-L802 HydrophobicContact CD1-CD2 4.35Å |
| 759 | T | 87.9 | Confident | 84.3 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 18% | 0.184 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 168.3 | 164 | 67 | 0 | 0 | 0 | 0 | 110.5 | Y751 K753 E761 G762 A763 | Y751-T759 WeakPolarHBondContact CA-OG1 3.37Å; Y751-T759 WeakPolarHBondContact O-CG2 3.38Å; Y751-T759 PolarHBondContact O-N 3.37Å; Y751-T759 PolarHBondContact O-OG1 3.38Å; K753-T759 HydrophobicContact CG-CG2 3.92Å; T759-E761 VanDerWaalsContact C-N 3.3Å; T759-E761 PolarHBondContact O-N 2.83Å; T759-G762 PolarHBondContact O-N 2.89Å; T759-G762 PolarHBondContact OG1-N 3.33Å; T759-G762 VanDerWaalsContact OG1-N 3.15Å; T759-A763 WeakPolarHBondContact O-CB 3.5Å; T759-A763 PolarHBondContact O-N 3.42Å |
| 760 | I | 86.7 | Confident | 85.1 | Confident | 132 Ų | 132 | 59 Ų | 59 | 68% | 0.677 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 178.4 | -62.5 | 173 | 0 | 0 | 0 | 110.6 | A763 D764 | I760-A763 PolarHBondContact O-N 3.29Å; I760-D764 PolarHBondContact O-N 3.45Å; I760-D764 VanDerWaalsContact O-N 3.09Å |
| 761 | E | 86.2 | Confident | 85.8 | Confident | 140 Ų | 140 | 51.9 Ų | 51.9 | 65% | 0.654 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.1 | -42.6 | 176.5 | -63.9 | 177 | -174.7 | 0 | 0 | 111.3 | Y751 T759 A763 D764 I765 | Y751-E761 HydrophobicContact CD1-CB 4.13Å; Y751-E761 HydrophobicContact CE1-CB 4.16Å; T759-E761 VanDerWaalsContact C-N 3.3Å; T759-E761 PolarHBondContact O-N 2.83Å; E761-A763 VanDerWaalsContact C-N 3.34Å; E761-A763 PolarHBondContact O-N 3.46Å; E761-D764 PolarHBondContact O-N 3.23Å; E761-I765 WeakPolarHBondContact O-CG1 3.13Å; E761-I765 PolarHBondContact O-N 3.39Å; E761-I765 VanDerWaalsContact O-N 3.08Å |
| 762 | G | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | T759 D764 I765 V766 | T759-G762 PolarHBondContact O-N 2.89Å; T759-G762 PolarHBondContact OG1-N 3.33Å; T759-G762 VanDerWaalsContact OG1-N 3.15Å; G762-D764 VanDerWaalsContact C-N 3.32Å; G762-D764 PolarHBondContact O-N 3.25Å; G762-I765 PolarHBondContact O-N 2.93Å; G762-V766 WeakPolarHBondContact O-CG2 3.49Å; G762-V766 PolarHBondContact O-N 3Å |
| 763 | A | 89.5 | Confident | 86.7 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T759 I760 E761 V766 A767 L802 H805 | T759-A763 WeakPolarHBondContact O-CB 3.5Å; T759-A763 PolarHBondContact O-N 3.42Å; I760-A763 PolarHBondContact O-N 3.29Å; E761-A763 VanDerWaalsContact C-N 3.34Å; E761-A763 PolarHBondContact O-N 3.46Å; A763-V766 PolarHBondContact O-N 3.36Å; A763-A767 WeakPolarHBondContact O-CB 3.31Å; A763-A767 PolarHBondContact O-N 3.23Å; A763-L802 HydrophobicContact CB-CD1 4.18Å; A763-H805 HydrophobicContact CB-CB 3.84Å |
| 764 | D | 91.8 | Very high | 87.2 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 176.1 | -171.5 | 49.4 | 0 | 0 | 0 | 112.4 | I760 E761 G762 A767 T768 H805 R809 | I760-D764 PolarHBondContact O-N 3.45Å; I760-D764 VanDerWaalsContact O-N 3.09Å; E761-D764 PolarHBondContact O-N 3.23Å; G762-D764 VanDerWaalsContact C-N 3.32Å; G762-D764 PolarHBondContact O-N 3.25Å; D764-A767 PolarHBondContact O-N 3.29Å; D764-T768 WeakPolarHBondContact O-CB 3.49Å; D764-T768 PolarHBondContact O-N 3.26Å; D764-T768 PolarHBondContact O-OG1 3.38Å; D764-H805 VanDerWaalsContact CA-NE2 3.34Å; D764-H805 WeakPolarHBondContact CA-NE2 3.43Å; D764-H805 WeakPolarHBondContact CB-NE2 3.13Å; D764-H805 PolarHBondContact N-NE2 3.16Å; D764-H805 IonicContact OD1-NE2 3.98Å; D764-R809 PolarHBondContact O-NH1 3.3Å; D764-R809 IonicContact OD1-CZ 3.91Å; D764-R809 IonicContact OD1-NH1 2.74Å; D764-R809 PolarHBondContact OD1-NH1 2.92Å |
| 765 | I | 90.1 | Very high | 87.9 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 26% | 0.256 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 172.6 | -66.4 | 167.4 | 0 | 0 | 0 | 110.1 | P746 Y751 E761 G762 A767 T768 N769 | P746-I765 HydrophobicContact CB-CD1 4.4Å; P746-I765 HydrophobicContact CB-CG2 4.15Å; Y751-I765 HydrophobicContact CD1-CD1 4.06Å; Y751-I765 HydrophobicContact CD2-CD1 4.09Å; Y751-I765 HydrophobicContact CE1-CD1 3.68Å; Y751-I765 HydrophobicContact CE2-CD1 3.67Å; Y751-I765 HydrophobicContact CG-CD1 4.26Å; Y751-I765 VanDerWaalsContact CZ-CD1 3.46Å; E761-I765 WeakPolarHBondContact O-CG1 3.13Å; E761-I765 PolarHBondContact O-N 3.39Å; E761-I765 VanDerWaalsContact O-N 3.08Å; G762-I765 PolarHBondContact O-N 2.93Å; I765-A767 VanDerWaalsContact C-N 3.34Å; I765-A767 PolarHBondContact O-N 3.03Å; I765-T768 WeakPolarHBondContact O-CB 3.47Å; I765-T768 PolarHBondContact O-N 3.47Å; I765-T768 VanDerWaalsContact O-N 3.14Å; I765-N769 VanDerWaalsContact O-CG 3.31Å; I765-N769 PolarHBondContact O-N 3.32Å |
| 766 | V | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L744 L758 G762 A763 T768 N769 L770 L802 | L744-V766 HydrophobicContact CD2-CG1 3.68Å; L744-V766 VanDerWaalsContact O-CG2 3.25Å; L744-V766 WeakPolarHBondContact O-CG2 3.5Å; L758-V766 HydrophobicContact CD1-CG2 4.16Å; G762-V766 WeakPolarHBondContact O-CG2 3.49Å; G762-V766 PolarHBondContact O-N 3Å; A763-V766 PolarHBondContact O-N 3.36Å; V766-T768 VanDerWaalsContact C-N 3.28Å; V766-T768 PolarHBondContact O-N 2.99Å; V766-N769 PolarHBondContact O-N 2.83Å; V766-L770 HydrophobicContact CG1-CD1 4.13Å; V766-L770 HydrophobicContact CG1-CG 4.48Å; V766-L770 WeakPolarHBondContact O-CG 3.46Å; V766-L770 PolarHBondContact O-N 3.15Å; V766-L802 HydrophobicContact CB-CD1 4.12Å; V766-L802 HydrophobicContact CG1-CD1 3.79Å; V766-L802 HydrophobicContact CG1-CD2 3.92Å |
| 767 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A763 D764 I765 S771 L806 M828 | A763-A767 WeakPolarHBondContact O-CB 3.31Å; A763-A767 PolarHBondContact O-N 3.23Å; D764-A767 PolarHBondContact O-N 3.29Å; I765-A767 VanDerWaalsContact C-N 3.34Å; I765-A767 PolarHBondContact O-N 3.03Å; A767-S771 WeakPolarHBondContact O-CB 3.44Å; A767-S771 PolarHBondContact O-N 3Å; A767-L806 HydrophobicContact CB-CD2 3.66Å; A767-M828 HydrophobicContact CB-SD 4.49Å; A767-M828 WeakPolarHBondContact O-CE 3.26Å |
| 768 | T | 93.4 | Very high | 89.2 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | D764 I765 V766 L770 S771 N772 R809 | D764-T768 WeakPolarHBondContact O-CB 3.49Å; D764-T768 PolarHBondContact O-N 3.26Å; D764-T768 PolarHBondContact O-OG1 3.38Å; I765-T768 WeakPolarHBondContact O-CB 3.47Å; I765-T768 PolarHBondContact O-N 3.47Å; I765-T768 VanDerWaalsContact O-N 3.14Å; V766-T768 VanDerWaalsContact C-N 3.28Å; V766-T768 PolarHBondContact O-N 2.99Å; T768-L770 VanDerWaalsContact C-N 3.33Å; T768-L770 PolarHBondContact O-N 3.21Å; T768-S771 PolarHBondContact O-N 3.04Å; T768-N772 WeakPolarHBondContact O-CB 3.39Å; T768-N772 PolarHBondContact O-N 3.22Å; T768-N772 PolarHBondContact O-ND2 3.09Å; T768-R809 VanDerWaalsContact N-NH1 3.13Å; T768-R809 PolarHBondContact OG1-NH1 2.9Å; T768-R809 PolarHBondContact OG1-NH2 3.25Å |
| 769 | N | 91.4 | Very high | 89.1 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 178.4 | -69 | -13 | 0 | 0 | 0 | 111.5 | I765 V766 F773 | I765-N769 VanDerWaalsContact O-CG 3.31Å; I765-N769 PolarHBondContact O-N 3.32Å; V766-N769 PolarHBondContact O-N 2.83Å; N769-F773 WeakPolarHBondContact O-CB 3.48Å; N769-F773 PolarHBondContact O-N 3.23Å |
| 770 | L | 92.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 175.8 | -65.8 | 174.2 | 0 | 0 | 0 | 111.8 | L744 V766 T768 N772 F773 I774 I831 | L744-L770 HydrophobicContact CD2-CD1 4.18Å; L744-L770 HydrophobicContact CD2-CD2 4.44Å; V766-L770 HydrophobicContact CG1-CD1 4.13Å; V766-L770 HydrophobicContact CG1-CG 4.48Å; V766-L770 WeakPolarHBondContact O-CG 3.46Å; V766-L770 PolarHBondContact O-N 3.15Å; T768-L770 VanDerWaalsContact C-N 3.33Å; T768-L770 PolarHBondContact O-N 3.21Å; L770-N772 PolarHBondContact O-N 3.39Å; L770-F773 WeakPolarHBondContact O-CB 3.43Å; L770-F773 PolarHBondContact O-N 3.16Å; L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.47Å; L770-I774 PolarHBondContact O-N 3.34Å; L770-I831 HydrophobicContact CB-CD1 3.51Å; L770-I831 HydrophobicContact CB-CG1 4.3Å; L770-I831 HydrophobicContact CD1-CD1 4.47Å; L770-I831 HydrophobicContact CD1-CG2 4.29Å |
| 771 | S | 93.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 177 | -163.8 | 0 | 0 | 0 | 0 | 112 | A767 T768 I774 R775 D824 S827 | A767-S771 WeakPolarHBondContact O-CB 3.44Å; A767-S771 PolarHBondContact O-N 3Å; T768-S771 PolarHBondContact O-N 3.04Å; S771-I774 PolarHBondContact O-N 2.97Å; S771-R775 PolarHBondContact O-N 3.19Å; S771-R775 VanDerWaalsContact O-N 3.08Å; S771-D824 VanDerWaalsContact CB-OD1 3.26Å; S771-D824 WeakPolarHBondContact CB-OD1 3.49Å; S771-D824 PolarHBondContact OG-OD1 3.02Å; S771-S827 WeakPolarHBondContact OG-CB 3.4Å |
| 772 | N | 90.1 | Very high | 89 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.3 | -74 | -28.4 | 0 | 0 | 0 | 111.9 | T768 L770 I774 R775 D776 | T768-N772 WeakPolarHBondContact O-CB 3.39Å; T768-N772 PolarHBondContact O-N 3.22Å; T768-N772 PolarHBondContact O-ND2 3.09Å; L770-N772 PolarHBondContact O-N 3.39Å; N772-I774 PolarHBondContact O-N 2.93Å; N772-R775 PolarHBondContact O-N 3.05Å; N772-D776 PolarHBondContact O-N 3.36Å |
| 773 | F | 90.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.1 | -51.5 | 174.6 | 173 | -97.1 | 0 | 0 | 0 | 111.2 | L721 Y743 N769 L770 R775 D776 S777 D781 M785 | L721-F773 HydrophobicContact CD1-CD2 4.47Å; L721-F773 HydrophobicContact CD1-CE2 3.33Å; L721-F773 HydrophobicContact CD1-CZ 3.61Å; Y743-F773 HydrophobicContact CD1-CB 4.17Å; Y743-F773 HydrophobicContact CE1-CB 3.92Å; Y743-F773 AromaticContact CE1-CD2 3.71Å; Y743-F773 HydrophobicContact CE1-CD2 3.71Å; Y743-F773 HydrophobicContact CE1-CG 4.11Å; Y743-F773 HydrophobicContact CE2-CD2 4.36Å; Y743-F773 AromaticContact CZ-CD2 3.62Å; N769-F773 WeakPolarHBondContact O-CB 3.48Å; N769-F773 PolarHBondContact O-N 3.23Å; L770-F773 WeakPolarHBondContact O-CB 3.43Å; L770-F773 PolarHBondContact O-N 3.16Å; F773-R775 VanDerWaalsContact C-N 3.3Å; F773-R775 PolarHBondContact O-N 3.37Å; F773-D776 PolarHBondContact O-N 3.38Å; F773-S777 WeakPolarHBondContact CE1-OG 3.29Å; F773-S777 WeakPolarHBondContact CE2-OG 3.38Å; F773-S777 VanDerWaalsContact CZ-OG 3.24Å; F773-S777 WeakPolarHBondContact CZ-OG 3.31Å; F773-S777 VanDerWaalsContact O-CB 3.25Å; F773-S777 WeakPolarHBondContact O-CB 3.31Å; F773-S777 PolarHBondContact O-N 3.33Å; F773-S777 PolarHBondContact O-OG 3.03Å; F773-D781 HydrophobicContact CZ-CB 4.03Å; F773-M785 HydrophobicContact CD1-CE 3.53Å; F773-M785 HydrophobicContact CD1-CG 4.21Å; F773-M785 HydrophobicContact CD2-CE 4.07Å; F773-M785 HydrophobicContact CE1-CB 3.61Å; F773-M785 HydrophobicContact CE1-CE 3.3Å; F773-M785 HydrophobicContact CE1-CG 3.64Å; F773-M785 HydrophobicContact CE1-SD 4.33Å; F773-M785 HydrophobicContact CE2-CE 3.87Å; F773-M785 HydrophobicContact CG-CE 3.91Å; F773-M785 HydrophobicContact CZ-CB 4.04Å; F773-M785 HydrophobicContact CZ-CE 3.47Å; F773-M785 VanDerWaalsContact CZ-CE 3.47Å; F773-M785 HydrophobicContact CZ-CG 4.38Å |
| 774 | I | 91.1 | Very high | 89.2 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | -178.6 | -62.3 | -67.1 | 0 | 0 | 0 | 111.9 | L770 S771 N772 D776 S777 L782 L830 I831 M834 | L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.47Å; L770-I774 PolarHBondContact O-N 3.34Å; S771-I774 PolarHBondContact O-N 2.97Å; N772-I774 PolarHBondContact O-N 2.93Å; I774-D776 VanDerWaalsContact C-N 3.31Å; I774-D776 PolarHBondContact O-N 3.45Å; I774-S777 PolarHBondContact O-N 3.48Å; I774-L782 HydrophobicContact CD1-CD2 3.33Å; I774-L782 HydrophobicContact CG1-CD2 4.49Å; I774-L782 HydrophobicContact CG2-CD2 4.25Å; I774-L830 HydrophobicContact CG2-CB 4.42Å; I774-L830 HydrophobicContact CG2-CD1 3.69Å; I774-I831 HydrophobicContact CD1-CG1 4.34Å; I774-I831 HydrophobicContact CG1-CD1 4.25Å; I774-I831 HydrophobicContact CG1-CG1 3.98Å; I774-M834 HydrophobicContact CD1-CE 3.87Å |
| 775 | R | 88.3 | Confident | 89.2 | Confident | 145 Ų | 145 | 44.2 Ų | 44.2 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -33.6 | -179.7 | -173.9 | 176.6 | 57.1 | 60.5 | 18 | 112.9 | S771 N772 F773 | S771-R775 PolarHBondContact O-N 3.19Å; S771-R775 VanDerWaalsContact O-N 3.08Å; N772-R775 PolarHBondContact O-N 3.05Å; F773-R775 VanDerWaalsContact C-N 3.3Å; F773-R775 PolarHBondContact O-N 3.37Å |
| 776 | D | 83.1 | Confident | 89.3 | Confident | 85 Ų | 85 | 43 Ų | 43 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.7 | -175.3 | -58.6 | -36.6 | 0 | 0 | 0 | 112.9 | R718 N772 F773 I774 | R718-D776 PolarHBondContact NH2-O 3.36Å; N772-D776 PolarHBondContact O-N 3.36Å; F773-D776 PolarHBondContact O-N 3.38Å; I774-D776 VanDerWaalsContact C-N 3.31Å; I774-D776 PolarHBondContact O-N 3.45Å |
| 777 | S | 88.4 | Confident | 89.3 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | trans | -103.1 | 146.9 | -174.2 | -76 | 0 | 0 | 0 | 0 | 113.9 | F773 I774 | F773-S777 WeakPolarHBondContact CE1-OG 3.29Å; F773-S777 WeakPolarHBondContact CE2-OG 3.38Å; F773-S777 VanDerWaalsContact CZ-OG 3.24Å; F773-S777 WeakPolarHBondContact CZ-OG 3.31Å; F773-S777 VanDerWaalsContact O-CB 3.25Å; F773-S777 WeakPolarHBondContact O-CB 3.31Å; F773-S777 PolarHBondContact O-N 3.33Å; F773-S777 PolarHBondContact O-OG 3.03Å; I774-S777 PolarHBondContact O-N 3.48Å | ||
| 778 | E | 84.9 | Confident | 89.2 | Confident | 115 Ų | 115 | 47.8 Ų | 47.8 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | trans | -89.5 | 171.3 | 169.6 | -68.8 | 168.1 | -156 | 0 | 0 | 111.6 | R718 G780 D781 L782 | R718-E778 IonicContact NH1-OE1 3.5Å; E778-G780 PolarHBondContact O-N 2.85Å; E778-D781 PolarHBondContact N-OD2 3.26Å; E778-D781 WeakPolarHBondContact O-CB 3.45Å; E778-D781 PolarHBondContact O-N 3.42Å; E778-D781 VanDerWaalsContact O-N 3.12Å; E778-L782 WeakPolarHBondContact O-CG 3.46Å; E778-L782 PolarHBondContact O-N 3.49Å; E778-L782 VanDerWaalsContact O-N 3.14Å | ||
| 779 | M | 80.8 | Confident | 89.1 | Confident | 145 Ų | 145 | 45.8 Ų | 45.8 | 71% | 0.714 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.6 | -36.7 | -178.8 | -172.1 | 62.9 | 63.5 | 0 | 0 | 112.6 | L782 V783 | M779-L782 PolarHBondContact O-N 3.47Å; M779-V783 WeakPolarHBondContact O-CG2 3.28Å; M779-V783 PolarHBondContact O-N 3.48Å; M779-V783 VanDerWaalsContact O-N 3.13Å |
| 780 | G | 81 | Confident | 88.9 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E778 V783 S784 | E778-G780 PolarHBondContact O-N 2.85Å; G780-V783 PolarHBondContact O-N 3.3Å; G780-S784 PolarHBondContact O-N 2.99Å; G780-S784 PolarHBondContact O-OG 3.24Å |
| 781 | D | 87.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.7 | -64.3 | -35.5 | 0 | 0 | 0 | 110.9 | R718 F773 E778 V783 S784 M785 | R718-D781 IonicContact NE-OD2 3.45Å; F773-D781 HydrophobicContact CZ-CB 4.03Å; E778-D781 PolarHBondContact N-OD2 3.26Å; E778-D781 WeakPolarHBondContact O-CB 3.45Å; E778-D781 PolarHBondContact O-N 3.42Å; E778-D781 VanDerWaalsContact O-N 3.12Å; D781-V783 VanDerWaalsContact C-N 3.34Å; D781-V783 PolarHBondContact O-N 3.37Å; D781-S784 PolarHBondContact O-N 2.94Å; D781-M785 WeakPolarHBondContact O-CB 3.21Å; D781-M785 PolarHBondContact O-N 3.49Å |
| 782 | L | 89.8 | Confident | 88.4 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.7 | -62.1 | -179.1 | 0 | 0 | 0 | 112.2 | I774 E778 M779 M785 E786 M834 | I774-L782 HydrophobicContact CD1-CD2 3.33Å; I774-L782 HydrophobicContact CG1-CD2 4.49Å; I774-L782 HydrophobicContact CG2-CD2 4.25Å; E778-L782 WeakPolarHBondContact O-CG 3.46Å; E778-L782 PolarHBondContact O-N 3.49Å; E778-L782 VanDerWaalsContact O-N 3.14Å; M779-L782 PolarHBondContact O-N 3.47Å; L782-M785 PolarHBondContact O-N 3.39Å; L782-E786 WeakPolarHBondContact O-CB 3.47Å; L782-E786 PolarHBondContact O-N 2.96Å; L782-M834 HydrophobicContact CB-CE 4Å; L782-M834 HydrophobicContact CD2-CE 3.99Å; L782-M834 WeakPolarHBondContact O-CE 3.25Å |
| 783 | V | 90.9 | Very high | 88.1 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 38% | 0.382 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 178.5 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | W725 M779 G780 D781 E786 R787 | W725-V783 HydrophobicContact CH2-CG1 4.1Å; W725-V783 HydrophobicContact CZ2-CG1 3.51Å; M779-V783 WeakPolarHBondContact O-CG2 3.28Å; M779-V783 PolarHBondContact O-N 3.48Å; M779-V783 VanDerWaalsContact O-N 3.13Å; G780-V783 PolarHBondContact O-N 3.3Å; D781-V783 VanDerWaalsContact C-N 3.34Å; D781-V783 PolarHBondContact O-N 3.37Å; V783-E786 PolarHBondContact O-N 3.47Å; V783-R787 PolarHBondContact O-N 3.48Å |
| 784 | S | 91.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | W725 G780 D781 E786 R787 I788 | W725-S784 PolarHBondContact NE1-OG 3.17Å; G780-S784 PolarHBondContact O-N 2.99Å; G780-S784 PolarHBondContact O-OG 3.24Å; D781-S784 PolarHBondContact O-N 2.94Å; S784-E786 VanDerWaalsContact C-N 3.34Å; S784-E786 PolarHBondContact O-N 3.33Å; S784-R787 WeakPolarHBondContact O-CB 3.28Å; S784-R787 PolarHBondContact O-N 3.05Å; S784-R787 VanDerWaalsContact O-N 3.13Å; S784-I788 WeakPolarHBondContact O-CD1 3.38Å; S784-I788 WeakPolarHBondContact O-CG1 3.37Å; S784-I788 PolarHBondContact O-N 3.42Å |
| 785 | M | 92.1 | Very high | 87.5 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 175.5 | -175.6 | 60.4 | 77.6 | 0 | 0 | 112.1 | Y743 F773 D781 L782 R787 I788 I789 M834 | Y743-M785 HydrophobicContact CD2-CE 4.08Å; Y743-M785 HydrophobicContact CE2-CE 4.28Å; Y743-M785 HydrophobicContact CG-CE 4.46Å; F773-M785 HydrophobicContact CD1-CE 3.53Å; F773-M785 HydrophobicContact CD1-CG 4.21Å; F773-M785 HydrophobicContact CD2-CE 4.07Å; F773-M785 HydrophobicContact CE1-CB 3.61Å; F773-M785 HydrophobicContact CE1-CE 3.3Å; F773-M785 HydrophobicContact CE1-CG 3.64Å; F773-M785 HydrophobicContact CE1-SD 4.33Å; F773-M785 HydrophobicContact CE2-CE 3.87Å; F773-M785 HydrophobicContact CG-CE 3.91Å; F773-M785 HydrophobicContact CZ-CB 4.04Å; F773-M785 HydrophobicContact CZ-CE 3.47Å; F773-M785 VanDerWaalsContact CZ-CE 3.47Å; F773-M785 HydrophobicContact CZ-CG 4.38Å; D781-M785 WeakPolarHBondContact O-CB 3.21Å; D781-M785 PolarHBondContact O-N 3.49Å; L782-M785 PolarHBondContact O-N 3.39Å; M785-R787 PolarHBondContact O-N 3.06Å; M785-I788 PolarHBondContact O-N 2.7Å; M785-I789 HydrophobicContact CG-CD1 3.9Å; M785-I789 HydrophobicContact CG-CG1 4.36Å; M785-I789 WeakPolarHBondContact O-CG1 3.38Å; M785-I789 PolarHBondContact O-N 3.21Å; M785-I789 HydrophobicContact SD-CD1 4.21Å; M785-I789 HydrophobicContact SD-CG1 4.17Å; M785-M834 HydrophobicContact CB-SD 4.46Å; M785-M834 HydrophobicContact CG-SD 4.12Å |
| 786 | E | 91.1 | Very high | 87 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -41.1 | 174.8 | -177.2 | 176.7 | 153.3 | 0 | 0 | 111.1 | L782 V783 S784 Q790 M834 K837 R878 | L782-E786 WeakPolarHBondContact O-CB 3.47Å; L782-E786 PolarHBondContact O-N 2.96Å; V783-E786 PolarHBondContact O-N 3.47Å; S784-E786 VanDerWaalsContact C-N 3.34Å; S784-E786 PolarHBondContact O-N 3.33Å; E786-Q790 WeakPolarHBondContact O-CG 3.04Å; E786-Q790 PolarHBondContact O-N 3.32Å; E786-Q790 VanDerWaalsContact O-N 3.12Å; E786-Q790 PolarHBondContact OE1-NE2 2.84Å; E786-M834 HydrophobicContact CB-CB 4.38Å; E786-M834 HydrophobicContact CB-CG 3.83Å; E786-M834 HydrophobicContact CB-SD 4.26Å; E786-M834 HydrophobicContact CG-CB 4.17Å; E786-M834 HydrophobicContact CG-CG 3.95Å; E786-K837 WeakPolarHBondContact OE1-CD 3.39Å; E786-K837 WeakPolarHBondContact OE1-CE 3.37Å; E786-K837 IonicContact OE1-NZ 3.64Å; E786-K837 PolarHBondContact OE1-NZ 3Å; E786-R878 IonicContact OE1-NH1 2.71Å |
| 787 | R | 91.1 | Very high | 86.5 | Confident | 101 Ų | 101 | 52 Ų | 52 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 177.8 | -174.4 | 59.8 | 121.6 | 99.6 | 3.3 | 112.7 | I724 W725 V783 S784 M785 Q790 Q791 | I724-R787 HydrophobicContact CG1-CB 4.28Å; I724-R787 HydrophobicContact CG1-CG 3.82Å; I724-R787 HydrophobicContact CG2-CB 4.41Å; W725-R787 HydrophobicContact CZ2-CB 4.32Å; V783-R787 PolarHBondContact O-N 3.48Å; S784-R787 WeakPolarHBondContact O-CB 3.28Å; S784-R787 PolarHBondContact O-N 3.05Å; S784-R787 VanDerWaalsContact O-N 3.13Å; M785-R787 PolarHBondContact O-N 3.06Å; R787-Q790 PolarHBondContact O-N 3.49Å; R787-Q791 PolarHBondContact O-N 3.17Å |
| 788 | I | 91.7 | Very high | 86 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 177 | -68.2 | 156.5 | 0 | 0 | 0 | 110.3 | L721 I724 V735 C739 S784 M785 Q790 Q791 L792 | L721-I788 HydrophobicContact CD2-CD1 3.86Å; I724-I788 HydrophobicContact CB-CG1 4.12Å; I724-I788 HydrophobicContact CD1-CG1 3.95Å; I724-I788 HydrophobicContact CG1-CG1 3.83Å; V735-I788 HydrophobicContact CG1-CD1 4.33Å; C739-I788 HydrophobicContact CB-CG2 3.76Å; C739-I788 WeakPolarHBondContact SG-CD1 3.35Å; S784-I788 WeakPolarHBondContact O-CD1 3.38Å; S784-I788 WeakPolarHBondContact O-CG1 3.37Å; S784-I788 PolarHBondContact O-N 3.42Å; M785-I788 PolarHBondContact O-N 2.7Å; I788-Q790 VanDerWaalsContact C-N 3.31Å; I788-Q790 PolarHBondContact O-N 2.92Å; I788-Q791 PolarHBondContact O-N 2.96Å; I788-Q791 VanDerWaalsContact O-N 3.12Å; I788-L792 HydrophobicContact CG2-CD1 3.76Å; I788-L792 HydrophobicContact CG2-CG 4.36Å; I788-L792 WeakPolarHBondContact O-CG 3.43Å; I788-L792 PolarHBondContact O-N 3.06Å |
| 789 | I | 89.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 177.6 | -70.3 | 172.2 | 0 | 0 | 0 | 110.9 | M785 Q791 L792 I793 F798 M834 I835 | M785-I789 HydrophobicContact CG-CD1 3.9Å; M785-I789 HydrophobicContact CG-CG1 4.36Å; M785-I789 WeakPolarHBondContact O-CG1 3.38Å; M785-I789 PolarHBondContact O-N 3.21Å; M785-I789 HydrophobicContact SD-CD1 4.21Å; M785-I789 HydrophobicContact SD-CG1 4.17Å; I789-Q791 VanDerWaalsContact C-N 3.32Å; I789-Q791 PolarHBondContact O-N 2.71Å; I789-L792 PolarHBondContact O-N 3.36Å; I789-I793 HydrophobicContact CG2-CD1 3.61Å; I789-I793 HydrophobicContact CG2-CG1 4.29Å; I789-I793 VanDerWaalsContact O-CG1 3.29Å; I789-I793 WeakPolarHBondContact O-CG1 3.37Å; I789-I793 PolarHBondContact O-N 3.18Å; I789-F798 HydrophobicContact CG2-CE2 4.38Å; I789-M834 HydrophobicContact CD1-CB 4.03Å; I789-M834 HydrophobicContact CD1-SD 3.85Å; I789-I835 HydrophobicContact CG2-CG1 3.99Å |
| 790 | Q | 87.6 | Confident | 85.6 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.8 | -76.5 | 165.7 | 14.7 | 0 | 0 | 112.2 | E786 R787 I788 A794 | E786-Q790 WeakPolarHBondContact O-CG 3.04Å; E786-Q790 PolarHBondContact O-N 3.32Å; E786-Q790 VanDerWaalsContact O-N 3.12Å; E786-Q790 PolarHBondContact OE1-NE2 2.84Å; R787-Q790 PolarHBondContact O-N 3.49Å; I788-Q790 VanDerWaalsContact C-N 3.31Å; I788-Q790 PolarHBondContact O-N 2.92Å; Q790-A794 WeakPolarHBondContact O-CB 3.49Å; Q790-A794 PolarHBondContact O-N 3.49Å |
| 791 | Q | 87.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 179.8 | -168.2 | 59.9 | 33.6 | 0 | 0 | 112.3 | I736 R787 I788 I789 S795 | I736-Q791 HydrophobicContact CD1-CB 4.21Å; I736-Q791 HydrophobicContact CD1-CG 3.45Å; I736-Q791 VanDerWaalsContact CD1-CG 3.45Å; I736-Q791 HydrophobicContact CG1-CG 4.3Å; R787-Q791 PolarHBondContact O-N 3.17Å; I788-Q791 PolarHBondContact O-N 2.96Å; I788-Q791 VanDerWaalsContact O-N 3.12Å; I789-Q791 VanDerWaalsContact C-N 3.32Å; I789-Q791 PolarHBondContact O-N 2.71Å; Q791-S795 WeakPolarHBondContact O-CB 3.42Å; Q791-S795 PolarHBondContact O-N 2.95Å; Q791-S795 PolarHBondContact O-OG 3.08Å |
| 792 | L | 87.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175 | -73.4 | 166.2 | 0 | 0 | 0 | 112.3 | I736 L744 I788 I789 S795 N796 Q797 | I736-L792 HydrophobicContact CG2-CD2 3.53Å; I736-L792 HydrophobicContact CG2-CG 4.02Å; L744-L792 HydrophobicContact CD1-CD1 3.3Å; L744-L792 HydrophobicContact CD1-CG 4.5Å; I788-L792 HydrophobicContact CG2-CD1 3.76Å; I788-L792 HydrophobicContact CG2-CG 4.36Å; I788-L792 WeakPolarHBondContact O-CG 3.43Å; I788-L792 PolarHBondContact O-N 3.06Å; I789-L792 PolarHBondContact O-N 3.36Å; L792-S795 CarbonylContact O-C 3.48Å; L792-S795 PolarHBondContact O-N 3.37Å; L792-N796 PolarHBondContact O-N 3.02Å; L792-Q797 HydrophobicContact CD2-CB 4.03Å; L792-Q797 PolarHBondContact O-N 2.99Å |
| 793 | I | 85.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.9 | -64.9 | 165.1 | 0 | 0 | 0 | 110.1 | I789 S795 N796 F798 I835 S838 | I789-I793 HydrophobicContact CG2-CD1 3.61Å; I789-I793 HydrophobicContact CG2-CG1 4.29Å; I789-I793 VanDerWaalsContact O-CG1 3.29Å; I789-I793 WeakPolarHBondContact O-CG1 3.37Å; I789-I793 PolarHBondContact O-N 3.18Å; I793-S795 PolarHBondContact O-N 3.39Å; I793-N796 PolarHBondContact O-N 3.5Å; I793-F798 HydrophobicContact CB-CB 4.44Å; I793-F798 HydrophobicContact CG1-CB 3.6Å; I793-F798 HydrophobicContact CG1-CD2 4.16Å; I793-F798 HydrophobicContact CG1-CG 3.88Å; I793-I835 HydrophobicContact CD1-CB 4.2Å; I793-I835 HydrophobicContact CD1-CG1 4.22Å; I793-I835 HydrophobicContact CD1-CG2 3.96Å; I793-S838 WeakPolarHBondContact CD1-OG 3.43Å; I793-S838 VanDerWaalsContact CG2-OG 3.29Å; I793-S838 WeakPolarHBondContact CG2-OG 3.4Å |
| 794 | A | 84 | Confident | 85.7 | Confident | 73 Ų | 73 | 45 Ų | 45 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.7 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q790 N796 | Q790-A794 WeakPolarHBondContact O-CB 3.49Å; Q790-A794 PolarHBondContact O-N 3.49Å; A794-N796 VanDerWaalsContact C-N 3.31Å |
| 795 | S | 83.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 6.8 | 176.4 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | Q791 L792 I793 Q797 | Q791-S795 WeakPolarHBondContact O-CB 3.42Å; Q791-S795 PolarHBondContact O-N 2.95Å; Q791-S795 PolarHBondContact O-OG 3.08Å; L792-S795 CarbonylContact O-C 3.48Å; L792-S795 PolarHBondContact O-N 3.37Å; I793-S795 PolarHBondContact O-N 3.39Å; S795-Q797 PolarHBondContact O-N 2.9Å |
| 796 | N | 77.5 | Confident | 85.8 | Confident | 146 Ų | 146 | 46.1 Ų | 46.1 | 78% | 0.781 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.6 | -174.4 | -63.6 | -39.1 | 0 | 0 | 0 | 114.1 | L792 I793 A794 | L792-N796 PolarHBondContact O-N 3.02Å; I793-N796 PolarHBondContact O-N 3.5Å; A794-N796 VanDerWaalsContact C-N 3.31Å |
| 797 | Q | 74.2 | Confident | 85.9 | Confident | 99 Ų | 99 | 45.5 Ų | 45.5 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | trans | -93.7 | -3.3 | 178.1 | -66.2 | -112.3 | 32.4 | 0 | 0 | 112.4 | L792 S795 | L792-Q797 HydrophobicContact CD2-CB 4.03Å; L792-Q797 PolarHBondContact O-N 2.99Å; S795-Q797 PolarHBondContact O-N 2.9Å | ||
| 798 | F | 78 | Confident | 86 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -105.5 | 101 | 177.7 | -150 | -71.6 | 0 | 0 | 0 | 109 | L744 I789 I793 L802 I803 L806 I835 | L744-F798 HydrophobicContact CD2-CE2 4.24Å; I789-F798 HydrophobicContact CG2-CE2 4.38Å; I793-F798 HydrophobicContact CB-CB 4.44Å; I793-F798 HydrophobicContact CG1-CB 3.6Å; I793-F798 HydrophobicContact CG1-CD2 4.16Å; I793-F798 HydrophobicContact CG1-CG 3.88Å; F798-L802 HydrophobicContact CD1-CB 4.44Å; F798-L802 HydrophobicContact CD1-CD2 4.04Å; F798-L802 HydrophobicContact CD1-CG 4.35Å; F798-L802 HydrophobicContact CD2-CD2 4.47Å; F798-L802 HydrophobicContact CE1-CB 4.11Å; F798-L802 HydrophobicContact CE1-CD2 3.55Å; F798-L802 HydrophobicContact CE1-CG 3.64Å; F798-L802 HydrophobicContact CE2-CD2 4.02Å; F798-L802 HydrophobicContact CG-CD2 4.49Å; F798-L802 HydrophobicContact CZ-CD2 3.53Å; F798-L802 HydrophobicContact CZ-CG 3.93Å; F798-I803 HydrophobicContact CD1-CD1 4Å; F798-I803 HydrophobicContact CD1-CG1 3.47Å; F798-I803 VanDerWaalsContact CD1-CG1 3.47Å; F798-I803 HydrophobicContact CE1-CG1 3.55Å; F798-L806 HydrophobicContact CE1-CD1 4.01Å; F798-L806 HydrophobicContact CZ-CD1 3.79Å; F798-I835 HydrophobicContact CE1-CD1 3.82Å; F798-I835 HydrophobicContact CE1-CG1 4.42Å; F798-I835 HydrophobicContact CZ-CD1 3.64Å; F798-I835 HydrophobicContact CZ-CG1 4.15Å |
| 799 | D | 75.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | trans | -65 | 144.3 | -173.7 | -69.8 | -20.9 | 0 | 0 | 0 | 112.7 | T757 L758 T801 L802 I803 | T757-D799 WeakPolarHBondContact CA-OD2 3.19Å; L758-D799 PolarHBondContact N-OD2 3.42Å; D799-T801 WeakPolarHBondContact CB-OG1 3.45Å; D799-T801 PolarHBondContact O-N 2.98Å; D799-L802 HydrophobicContact CB-CB 4.47Å; D799-L802 PolarHBondContact O-N 3.32Å; D799-I803 PolarHBondContact O-N 3.27Å; D799-I803 VanDerWaalsContact O-N 3.15Å | ||
| 800 | S | 80.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 57% | 0.566 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.2 | -31 | 171.8 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | I803 D804 | S800-I803 PolarHBondContact O-N 3.46Å; S800-D804 WeakPolarHBondContact O-CB 3.36Å; S800-D804 PolarHBondContact O-N 2.88Å |
| 801 | T | 84.5 | Confident | 86.7 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 112 | D799 H805 | D799-T801 WeakPolarHBondContact CB-OG1 3.45Å; D799-T801 PolarHBondContact O-N 2.98Å; T801-H805 VanDerWaalsContact O-CB 3.31Å; T801-H805 WeakPolarHBondContact O-CB 3.15Å; T801-H805 PolarHBondContact O-N 2.82Å |
| 802 | L | 89.3 | Confident | 87 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 176.4 | 179.3 | 59.6 | 0 | 0 | 0 | 110.7 | L744 L758 A763 V766 F798 D799 H805 L806 | L744-L802 HydrophobicContact CD2-CD2 4.19Å; L758-L802 HydrophobicContact CD1-CB 4.43Å; L758-L802 HydrophobicContact CD1-CD1 4.48Å; L758-L802 HydrophobicContact CD1-CD2 4.35Å; A763-L802 HydrophobicContact CB-CD1 4.18Å; V766-L802 HydrophobicContact CB-CD1 4.12Å; V766-L802 HydrophobicContact CG1-CD1 3.79Å; V766-L802 HydrophobicContact CG1-CD2 3.92Å; F798-L802 HydrophobicContact CD1-CB 4.44Å; F798-L802 HydrophobicContact CD1-CD2 4.04Å; F798-L802 HydrophobicContact CD1-CG 4.35Å; F798-L802 HydrophobicContact CD2-CD2 4.47Å; F798-L802 HydrophobicContact CE1-CB 4.11Å; F798-L802 HydrophobicContact CE1-CD2 3.55Å; F798-L802 HydrophobicContact CE1-CG 3.64Å; F798-L802 HydrophobicContact CE2-CD2 4.02Å; F798-L802 HydrophobicContact CG-CD2 4.49Å; F798-L802 HydrophobicContact CZ-CD2 3.53Å; F798-L802 HydrophobicContact CZ-CG 3.93Å; D799-L802 HydrophobicContact CB-CB 4.47Å; D799-L802 PolarHBondContact O-N 3.32Å; L802-H805 PolarHBondContact O-N 3.02Å; L802-L806 HydrophobicContact CD1-CD1 4.46Å; L802-L806 HydrophobicContact CD1-CG 4.33Å; L802-L806 HydrophobicContact CG-CD1 4.24Å; L802-L806 VanDerWaalsContact O-CG 3.31Å; L802-L806 WeakPolarHBondContact O-CG 3.27Å; L802-L806 PolarHBondContact O-N 3.48Å |
| 803 | I | 88.1 | Confident | 87.1 | Confident | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.179 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.4 | -60.7 | 174.9 | 0 | 0 | 0 | 110.5 | F798 D799 S800 H805 L806 W807 I835 | F798-I803 HydrophobicContact CD1-CD1 4Å; F798-I803 HydrophobicContact CD1-CG1 3.47Å; F798-I803 VanDerWaalsContact CD1-CG1 3.47Å; F798-I803 HydrophobicContact CE1-CG1 3.55Å; D799-I803 PolarHBondContact O-N 3.27Å; D799-I803 VanDerWaalsContact O-N 3.15Å; S800-I803 PolarHBondContact O-N 3.46Å; I803-H805 VanDerWaalsContact C-N 3.28Å; I803-H805 PolarHBondContact O-N 3.05Å; I803-L806 PolarHBondContact O-N 2.96Å; I803-W807 VanDerWaalsContact O-CD1 3.23Å; I803-W807 PolarHBondContact O-N 3.22Å; I803-I835 HydrophobicContact CD1-CG2 4.34Å; I803-I835 HydrophobicContact CG1-CG2 4.41Å |
| 804 | D | 89.3 | Confident | 87.4 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 178.1 | -75.2 | -29.5 | 0 | 0 | 0 | 111.5 | S800 W807 Q808 R845 | S800-D804 WeakPolarHBondContact O-CB 3.36Å; S800-D804 PolarHBondContact O-N 2.88Å; D804-W807 PolarHBondContact O-N 3.28Å; D804-Q808 WeakPolarHBondContact O-CG 3.3Å; D804-Q808 PolarHBondContact O-N 3.17Å; D804-R845 IonicContact OD1-CZ 3.51Å; D804-R845 IonicContact OD1-NH1 3.17Å; D804-R845 PolarHBondContact OD1-NH1 2.78Å; D804-R845 IonicContact OD1-NH2 2.61Å; D804-R845 PolarHBondContact OD1-NH2 3.38Å; D804-R845 IonicContact OD2-NH2 3.71Å |
| 805 | H | 92.1 | Very high | 87.5 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 178.2 | -167.6 | 84.1 | 0 | 0 | 0 | 112.8 | A763 D764 T801 L802 I803 W807 Q808 R809 | A763-H805 HydrophobicContact CB-CB 3.84Å; D764-H805 VanDerWaalsContact CA-NE2 3.34Å; D764-H805 WeakPolarHBondContact CA-NE2 3.43Å; D764-H805 WeakPolarHBondContact CB-NE2 3.13Å; D764-H805 PolarHBondContact N-NE2 3.16Å; D764-H805 IonicContact OD1-NE2 3.98Å; T801-H805 VanDerWaalsContact O-CB 3.31Å; T801-H805 WeakPolarHBondContact O-CB 3.15Å; T801-H805 PolarHBondContact O-N 2.82Å; L802-H805 PolarHBondContact O-N 3.02Å; I803-H805 VanDerWaalsContact C-N 3.28Å; I803-H805 PolarHBondContact O-N 3.05Å; H805-W807 VanDerWaalsContact C-N 3.28Å; H805-W807 PolarHBondContact O-N 3.39Å; H805-Q808 PolarHBondContact O-N 3.23Å; H805-Q808 VanDerWaalsContact O-N 3.09Å; H805-R809 WeakPolarHBondContact O-CB 3.26Å; H805-R809 PolarHBondContact O-N 2.91Å |
| 806 | L | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 175.7 | -70.2 | 168 | 0 | 0 | 0 | 111.8 | A767 F798 L802 I803 R809 F810 M828 I831 I835 | A767-L806 HydrophobicContact CB-CD2 3.66Å; F798-L806 HydrophobicContact CE1-CD1 4.01Å; F798-L806 HydrophobicContact CZ-CD1 3.79Å; L802-L806 HydrophobicContact CD1-CD1 4.46Å; L802-L806 HydrophobicContact CD1-CG 4.33Å; L802-L806 HydrophobicContact CG-CD1 4.24Å; L802-L806 VanDerWaalsContact O-CG 3.31Å; L802-L806 WeakPolarHBondContact O-CG 3.27Å; L802-L806 PolarHBondContact O-N 3.48Å; I803-L806 PolarHBondContact O-N 2.96Å; L806-R809 PolarHBondContact O-N 3Å; L806-F810 PolarHBondContact O-N 3.43Å; L806-M828 HydrophobicContact CD2-SD 3.63Å; L806-I831 HydrophobicContact CD1-CG2 3.89Å; L806-I831 HydrophobicContact CD2-CG2 4.39Å; L806-I835 HydrophobicContact CD1-CD1 3.48Å; L806-I835 VanDerWaalsContact CD1-CD1 3.48Å |
| 807 | W | 93 | Very high | 87.7 | Confident | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 171.8 | -79.4 | 108 | 0 | 0 | 0 | 112.7 | I803 D804 H805 R809 F810 I811 I832 H846 T849 L850 V875 | I803-W807 VanDerWaalsContact O-CD1 3.23Å; I803-W807 PolarHBondContact O-N 3.22Å; D804-W807 PolarHBondContact O-N 3.28Å; H805-W807 VanDerWaalsContact C-N 3.28Å; H805-W807 PolarHBondContact O-N 3.39Å; W807-R809 VanDerWaalsContact C-N 3.34Å; W807-F810 HydrophobicContact CE3-CD1 4.35Å; W807-F810 HydrophobicContact CZ3-CD1 4.5Å; W807-F810 PolarHBondContact O-N 3.38Å; W807-I811 VanDerWaalsContact O-CG1 3.32Å; W807-I811 WeakPolarHBondContact O-CG1 3.44Å; W807-I811 PolarHBondContact O-N 3.26Å; W807-I832 HydrophobicContact CD2-CD1 3.92Å; W807-I832 HydrophobicContact CE3-CD1 3.86Å; W807-I832 HydrophobicContact CG-CD1 4.46Å; W807-I832 HydrophobicContact CH2-CD1 4.45Å; W807-I832 HydrophobicContact CH2-CG2 3.61Å; W807-I832 HydrophobicContact CZ2-CG2 3.39Å; W807-I832 HydrophobicContact CZ3-CD1 4.13Å; W807-I832 HydrophobicContact CZ3-CG2 4.32Å; W807-H846 AromaticContact CD1-CE1 3.55Å; W807-H846 AromaticContact CD1-NE2 3.79Å; W807-H846 AromaticContact CD2-CE1 3.62Å; W807-H846 AromaticContact CD2-CG 3.89Å; W807-H846 AromaticContact CD2-ND1 3.46Å; W807-H846 AromaticContact CE2-CD2 3.66Å; W807-H846 AromaticContact CE2-CE1 3.67Å; W807-H846 AromaticContact CE2-CG 3.63Å; W807-H846 AromaticContact CE2-ND1 3.65Å; W807-H846 AromaticContact CE2-NE2 3.71Å; W807-H846 HydrophobicContact CE3-CB 4.28Å; W807-H846 AromaticContact CE3-ND1 3.7Å; W807-H846 AromaticContact CG-CE1 3.56Å; W807-H846 AromaticContact CG-ND1 3.85Å; W807-H846 HydrophobicContact CH2-CB 3.51Å; W807-H846 AromaticContact CH2-CG 3.78Å; W807-H846 HydrophobicContact CZ2-CB 3.79Å; W807-H846 AromaticContact CZ2-CD2 3.68Å; W807-H846 AromaticContact CZ2-CG 3.58Å; W807-H846 HydrophobicContact CZ3-CB 3.77Å; W807-H846 AromaticContact NE1-CD2 3.84Å; W807-H846 AromaticContact NE1-CE1 3.61Å; W807-H846 AromaticContact NE1-NE2 3.47Å; W807-H846 PolarHBondContact NE1-NE2 2.75Å; W807-T849 HydrophobicContact CE3-CG2 4.42Å; W807-L850 HydrophobicContact CH2-CD1 4.1Å; W807-L850 HydrophobicContact CH2-CD2 4.04Å; W807-L850 HydrophobicContact CH2-CG 4.11Å; W807-L850 HydrophobicContact CZ3-CD1 4.48Å; W807-L850 HydrophobicContact CZ3-CD2 3.8Å; W807-L850 HydrophobicContact CZ3-CG 3.98Å; W807-V875 HydrophobicContact CH2-CG1 4.37Å |
| 808 | Q | 93.9 | Very high | 88.2 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 175.9 | -67.4 | -56.2 | -39.6 | 0 | 0 | 111.7 | D804 H805 I811 Q812 | D804-Q808 WeakPolarHBondContact O-CG 3.3Å; D804-Q808 PolarHBondContact O-N 3.17Å; H805-Q808 PolarHBondContact O-N 3.23Å; H805-Q808 VanDerWaalsContact O-N 3.09Å; Q808-I811 WeakPolarHBondContact O-CB 3.45Å; Q808-I811 PolarHBondContact O-N 2.89Å; Q808-Q812 WeakPolarHBondContact O-CB 3.37Å; Q808-Q812 PolarHBondContact O-N 3.3Å |
| 809 | R | 94.7 | Very high | 88.4 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.6 | -171.5 | 172.4 | 175.5 | 148.4 | -12.7 | 112.2 | D764 T768 H805 L806 W807 I811 Q812 S813 D824 M828 | D764-R809 PolarHBondContact O-NH1 3.3Å; D764-R809 IonicContact OD1-CZ 3.91Å; D764-R809 IonicContact OD1-NH1 2.74Å; D764-R809 PolarHBondContact OD1-NH1 2.92Å; T768-R809 VanDerWaalsContact N-NH1 3.13Å; T768-R809 PolarHBondContact OG1-NH1 2.9Å; T768-R809 PolarHBondContact OG1-NH2 3.25Å; H805-R809 WeakPolarHBondContact O-CB 3.26Å; H805-R809 PolarHBondContact O-N 2.91Å; L806-R809 PolarHBondContact O-N 3Å; W807-R809 VanDerWaalsContact C-N 3.34Å; R809-I811 PolarHBondContact O-N 3.24Å; R809-Q812 PolarHBondContact O-N 2.86Å; R809-S813 VanDerWaalsContact O-CB 3.31Å; R809-S813 WeakPolarHBondContact O-CB 3.4Å; R809-S813 PolarHBondContact O-N 3.01Å; R809-S813 PolarHBondContact O-OG 3.03Å; R809-D824 IonicContact CZ-OD1 2.75Å; R809-D824 IonicContact CZ-OD2 3.12Å; R809-D824 IonicContact NE-OD1 2.92Å; R809-D824 PolarHBondContact NE-OD1 3.43Å; R809-D824 IonicContact NE-OD2 3.47Å; R809-D824 PolarHBondContact NE-OD2 3.5Å; R809-D824 IonicContact NH2-OD1 3.95Å; R809-D824 PolarHBondContact NH2-OD1 2.97Å; R809-D824 IonicContact NH2-OD2 2.68Å; R809-M828 HydrophobicContact CB-CG 4.4Å; R809-M828 HydrophobicContact CB-SD 4.26Å; R809-M828 HydrophobicContact CG-CG 4.16Å; R809-M828 HydrophobicContact CG-SD 4.15Å |
| 810 | F | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 170 | 169.5 | -114.8 | 0 | 0 | 0 | 112.1 | L806 W807 Q812 S813 A814 A825 M828 L829 I832 T849 L850 H853 | L806-F810 PolarHBondContact O-N 3.43Å; W807-F810 HydrophobicContact CE3-CD1 4.35Å; W807-F810 HydrophobicContact CZ3-CD1 4.5Å; W807-F810 PolarHBondContact O-N 3.38Å; F810-Q812 PolarHBondContact O-N 3.05Å; F810-S813 WeakPolarHBondContact CA-OG 3.18Å; F810-S813 PolarHBondContact O-N 2.9Å; F810-S813 PolarHBondContact O-OG 3.36Å; F810-A814 HydrophobicContact CE2-CB 4.13Å; F810-A814 HydrophobicContact CZ-CB 4.42Å; F810-A814 WeakPolarHBondContact O-CB 3.22Å; F810-A814 PolarHBondContact O-N 2.9Å; F810-A825 HydrophobicContact CD2-CB 4.28Å; F810-A825 HydrophobicContact CE2-CB 4.4Å; F810-M828 HydrophobicContact CB-CB 3.86Å; F810-M828 HydrophobicContact CB-CG 4.47Å; F810-M828 HydrophobicContact CD2-CB 4.45Å; F810-L829 HydrophobicContact CD2-CD1 4.45Å; F810-L829 HydrophobicContact CD2-CD2 4.08Å; F810-L829 HydrophobicContact CD2-CG 3.8Å; F810-L829 HydrophobicContact CE1-CD2 4.19Å; F810-L829 HydrophobicContact CE2-CD1 3.67Å; F810-L829 HydrophobicContact CE2-CD2 3.62Å; F810-L829 HydrophobicContact CE2-CG 3.43Å; F810-L829 VanDerWaalsContact CE2-CG 3.43Å; F810-L829 HydrophobicContact CZ-CD1 4.19Å; F810-L829 HydrophobicContact CZ-CD2 3.68Å; F810-L829 HydrophobicContact CZ-CG 4.01Å; F810-I832 HydrophobicContact CB-CD1 4.03Å; F810-I832 HydrophobicContact CG-CD1 4.38Å; F810-T849 HydrophobicContact CD1-CG2 4.43Å; F810-T849 HydrophobicContact CE1-CG2 4.4Å; F810-L850 HydrophobicContact CE1-CD2 4.22Å; F810-H853 HydrophobicContact CE1-CB 3.93Å; F810-H853 HydrophobicContact CZ-CB 4.04Å |
| 811 | I | 94.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 178.6 | -68.8 | 164.9 | 0 | 0 | 0 | 110.9 | W807 Q808 R809 S815 T849 | W807-I811 VanDerWaalsContact O-CG1 3.32Å; W807-I811 WeakPolarHBondContact O-CG1 3.44Å; W807-I811 PolarHBondContact O-N 3.26Å; Q808-I811 WeakPolarHBondContact O-CB 3.45Å; Q808-I811 PolarHBondContact O-N 2.89Å; R809-I811 PolarHBondContact O-N 3.24Å; I811-S815 WeakPolarHBondContact O-CB 3.36Å; I811-S815 PolarHBondContact O-N 2.82Å; I811-S815 PolarHBondContact O-OG 3.45Å; I811-T849 HydrophobicContact CD1-CG2 3.65Å; I811-T849 HydrophobicContact CG1-CG2 3.48Å; I811-T849 VanDerWaalsContact CG1-CG2 3.48Å |
| 812 | Q | 92.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | -179.3 | -179.7 | 176.2 | -9.3 | 0 | 0 | 111.7 | Q808 R809 F810 S815 | Q808-Q812 WeakPolarHBondContact O-CB 3.37Å; Q808-Q812 PolarHBondContact O-N 3.3Å; R809-Q812 PolarHBondContact O-N 2.86Å; F810-Q812 PolarHBondContact O-N 3.05Å; Q812-S815 PolarHBondContact O-N 3.41Å |
| 813 | S | 91.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -39.4 | -178.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | R809 F810 S815 R816 S821 A825 | R809-S813 VanDerWaalsContact O-CB 3.31Å; R809-S813 WeakPolarHBondContact O-CB 3.4Å; R809-S813 PolarHBondContact O-N 3.01Å; R809-S813 PolarHBondContact O-OG 3.03Å; F810-S813 WeakPolarHBondContact CA-OG 3.18Å; F810-S813 PolarHBondContact O-N 2.9Å; F810-S813 PolarHBondContact O-OG 3.36Å; S813-S815 PolarHBondContact O-N 3.47Å; S813-R816 PolarHBondContact O-N 2.96Å; S813-S821 VanDerWaalsContact C-OG 3.23Å; S813-S821 WeakPolarHBondContact CA-OG 3.42Å; S813-S821 WeakPolarHBondContact CB-O 3.35Å; S813-S821 PolarHBondContact O-OG 3.05Å; S813-A825 VanDerWaalsContact OG-CA 3.27Å; S813-A825 WeakPolarHBondContact OG-CA 3.16Å; S813-A825 WeakPolarHBondContact OG-CB 3.5Å |
| 814 | A | 89.9 | Confident | 89.7 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.9 | -17.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F810 A825 H853 | F810-A814 HydrophobicContact CE2-CB 4.13Å; F810-A814 HydrophobicContact CZ-CB 4.42Å; F810-A814 WeakPolarHBondContact O-CB 3.22Å; F810-A814 PolarHBondContact O-N 2.9Å; A814-A825 HydrophobicContact CB-CB 4.28Å; A814-H853 HydrophobicContact CB-CB 3.81Å |
| 815 | S | 87.1 | Confident | 90 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | I811 Q812 S813 H853 L858 | I811-S815 WeakPolarHBondContact O-CB 3.36Å; I811-S815 PolarHBondContact O-N 2.82Å; I811-S815 PolarHBondContact O-OG 3.45Å; Q812-S815 PolarHBondContact O-N 3.41Å; S813-S815 PolarHBondContact O-N 3.47Å; S815-H853 PolarHBondContact OG-CE1 3.29Å; S815-H853 PolarHBondContact OG-ND1 2.88Å; S815-L858 WeakPolarHBondContact O-CD2 3.47Å |
| 816 | R | 87.2 | Confident | 90 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | trans | -115.4 | 159.1 | 179.5 | -57.8 | 174.7 | 175.8 | -174 | -2.5 | 111 | S813 D818 | S813-R816 PolarHBondContact O-N 2.96Å; R816-D818 VanDerWaalsContact CB-OD1 3.26Å; R816-D818 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 817 | T | 76.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 54 Ų | 54 | 73% | 0.73 | 27% | 0.273 | S | S | * | . | trans | -101.6 | -4.2 | -174.5 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | L858 | T817-L858 HydrophobicContact CG2-CD2 3.4Š| ||
| 818 | D | 85.1 | Confident | 90.3 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73.6 | 148.7 | -179.9 | 60 | -74.3 | 0 | 0 | 0 | 111.8 | R816 D820 S821 S822 | R816-D818 VanDerWaalsContact CB-OD1 3.26Å; R816-D818 WeakPolarHBondContact CB-OD1 3.24Å; D818-D820 VanDerWaalsContact C-N 3.32Å; D818-D820 PolarHBondContact O-N 3.4Å; D818-S821 PolarHBondContact O-N 2.83Å; D818-S821 WeakPolarHBondContact OD1-CB 3.38Å; D818-S821 WeakPolarHBondContact OD2-CB 3.36Å; D818-S821 PolarHBondContact OD2-N 3.2Å; D818-S822 PolarHBondContact O-N 3.48Å |
| 819 | K | 83.1 | Confident | 90.3 | Very high | 161 Ų | 161 | 47.9 Ų | 47.9 | 70% | 0.7 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.2 | -43.1 | -176.1 | -173.5 | 179.5 | 176.5 | -175.2 | 0 | 111.4 | S821 S822 D823 | K819-S821 PolarHBondContact O-N 3.47Å; K819-S822 WeakPolarHBondContact O-CB 3.39Å; K819-S822 PolarHBondContact O-N 2.93Å; K819-S822 VanDerWaalsContact O-N 3.1Å; K819-D823 PolarHBondContact O-N 3.36Å |
| 820 | D | 86.5 | Confident | 90.3 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 68% | 0.684 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.5 | -42.8 | -179.9 | -59.4 | -29.9 | 0 | 0 | 0 | 111.4 | D818 S822 D823 D824 | D818-D820 VanDerWaalsContact C-N 3.32Å; D818-D820 PolarHBondContact O-N 3.4Å; D820-S822 VanDerWaalsContact C-N 3.33Å; D820-S822 PolarHBondContact O-N 3.47Å; D820-D823 PolarHBondContact O-N 3.1Å; D820-D824 WeakPolarHBondContact O-CB 3.18Å; D820-D824 PolarHBondContact O-N 3.44Å |
| 821 | S | 88.2 | Confident | 90.2 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -34.4 | 173.7 | -170.3 | 0 | 0 | 0 | 0 | 112.9 | S813 D818 K819 A825 | S813-S821 VanDerWaalsContact C-OG 3.23Å; S813-S821 WeakPolarHBondContact CA-OG 3.42Å; S813-S821 WeakPolarHBondContact CB-O 3.35Å; S813-S821 PolarHBondContact O-OG 3.05Å; D818-S821 PolarHBondContact O-N 2.83Å; D818-S821 WeakPolarHBondContact OD1-CB 3.38Å; D818-S821 WeakPolarHBondContact OD2-CB 3.36Å; D818-S821 PolarHBondContact OD2-N 3.2Å; K819-S821 PolarHBondContact O-N 3.47Å; S821-A825 WeakPolarHBondContact O-CB 3.46Å; S821-A825 PolarHBondContact O-N 3.28Å |
| 822 | S | 88.3 | Confident | 90.1 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.7 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | D818 K819 D820 A825 K826 | D818-S822 PolarHBondContact O-N 3.48Å; K819-S822 WeakPolarHBondContact O-CB 3.39Å; K819-S822 PolarHBondContact O-N 2.93Å; K819-S822 VanDerWaalsContact O-N 3.1Å; D820-S822 VanDerWaalsContact C-N 3.33Å; D820-S822 PolarHBondContact O-N 3.47Å; S822-A825 PolarHBondContact O-N 2.73Å; S822-K826 WeakPolarHBondContact O-CG 3.48Å; S822-K826 PolarHBondContact O-N 3Å |
| 823 | D | 89.9 | Confident | 90.1 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73.1 | -37.3 | 178.5 | -68.3 | -26.2 | 0 | 0 | 0 | 111.4 | K819 D820 A825 K826 S827 | K819-D823 PolarHBondContact O-N 3.36Å; D820-D823 PolarHBondContact O-N 3.1Å; D823-A825 VanDerWaalsContact C-N 3.33Å; D823-A825 PolarHBondContact O-N 3.33Å; D823-K826 WeakPolarHBondContact O-CB 3.36Å; D823-K826 PolarHBondContact O-N 3.18Å; D823-K826 IonicContact OD1-NZ 3.81Å; D823-K826 PolarHBondContact OD1-NZ 3.21Å; D823-S827 PolarHBondContact O-N 2.76Å; D823-S827 PolarHBondContact O-OG 2.68Å |
| 824 | D | 93.2 | Very high | 90 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -42 | 171.2 | -168.9 | 66.4 | 0 | 0 | 0 | 111.3 | S771 R809 D820 K826 S827 M828 | S771-D824 VanDerWaalsContact CB-OD1 3.26Å; S771-D824 WeakPolarHBondContact CB-OD1 3.49Å; S771-D824 PolarHBondContact OG-OD1 3.02Å; R809-D824 IonicContact CZ-OD1 2.75Å; R809-D824 IonicContact CZ-OD2 3.12Å; R809-D824 IonicContact NE-OD1 2.92Å; R809-D824 PolarHBondContact NE-OD1 3.43Å; R809-D824 IonicContact NE-OD2 3.47Å; R809-D824 PolarHBondContact NE-OD2 3.5Å; R809-D824 IonicContact NH2-OD1 3.95Å; R809-D824 PolarHBondContact NH2-OD1 2.97Å; R809-D824 IonicContact NH2-OD2 2.68Å; D820-D824 WeakPolarHBondContact O-CB 3.18Å; D820-D824 PolarHBondContact O-N 3.44Å; D824-K826 VanDerWaalsContact C-N 3.31Å; D824-K826 PolarHBondContact O-N 3.2Å; D824-S827 PolarHBondContact O-N 3.38Å; D824-M828 VanDerWaalsContact O-CG 3.29Å; D824-M828 WeakPolarHBondContact O-CG 3.29Å; D824-M828 PolarHBondContact O-N 3.47Å |
| 825 | A | 93.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F810 S813 A814 S821 S822 D823 L829 | F810-A825 HydrophobicContact CD2-CB 4.28Å; F810-A825 HydrophobicContact CE2-CB 4.4Å; S813-A825 VanDerWaalsContact OG-CA 3.27Å; S813-A825 WeakPolarHBondContact OG-CA 3.16Å; S813-A825 WeakPolarHBondContact OG-CB 3.5Å; A814-A825 HydrophobicContact CB-CB 4.28Å; S821-A825 WeakPolarHBondContact O-CB 3.46Å; S821-A825 PolarHBondContact O-N 3.28Å; S822-A825 PolarHBondContact O-N 2.73Å; D823-A825 VanDerWaalsContact C-N 3.33Å; D823-A825 PolarHBondContact O-N 3.33Å; A825-L829 WeakPolarHBondContact O-CG 3.46Å; A825-L829 PolarHBondContact O-N 2.92Å |
| 826 | K | 94 | Very high | 89.8 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -43.4 | 175.5 | -66.9 | 170.2 | -168.3 | 174 | 0 | 111.5 | S822 D823 D824 M828 L829 L830 D865 E867 F871 | S822-K826 WeakPolarHBondContact O-CG 3.48Å; S822-K826 PolarHBondContact O-N 3Å; D823-K826 WeakPolarHBondContact O-CB 3.36Å; D823-K826 PolarHBondContact O-N 3.18Å; D823-K826 IonicContact OD1-NZ 3.81Å; D823-K826 PolarHBondContact OD1-NZ 3.21Å; D824-K826 VanDerWaalsContact C-N 3.31Å; D824-K826 PolarHBondContact O-N 3.2Å; K826-M828 VanDerWaalsContact C-N 3.32Å; K826-M828 PolarHBondContact O-N 3.21Å; K826-L829 WeakPolarHBondContact O-CB 3.47Å; K826-L829 PolarHBondContact O-N 3.2Å; K826-L830 PolarHBondContact O-N 2.96Å; K826-D865 WeakPolarHBondContact CE-OD2 3.36Å; K826-D865 IonicContact NZ-OD2 2.88Å; K826-E867 HydrophobicContact CD-CG 4.21Å; K826-E867 WeakPolarHBondContact CD-OE2 3.39Å; K826-E867 WeakPolarHBondContact CE-OE2 3.43Å; K826-E867 IonicContact NZ-OE2 2.64Å; K826-E867 PolarHBondContact NZ-OE2 3.39Å; K826-F871 HydrophobicContact CB-CD2 4.02Å; K826-F871 HydrophobicContact CB-CE2 4.06Å; K826-F871 HydrophobicContact CG-CD2 4.27Å; K826-F871 HydrophobicContact CG-CE2 4.39Å |
| 827 | S | 94.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.2 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | S771 D823 D824 L829 L830 I831 | S771-S827 WeakPolarHBondContact OG-CB 3.4Å; D823-S827 PolarHBondContact O-N 2.76Å; D823-S827 PolarHBondContact O-OG 2.68Å; D824-S827 PolarHBondContact O-N 3.38Å; S827-L829 PolarHBondContact O-N 3.07Å; S827-L830 PolarHBondContact O-N 3.26Å; S827-I831 WeakPolarHBondContact O-CD1 3.2Å; S827-I831 VanDerWaalsContact O-CG1 3.3Å; S827-I831 WeakPolarHBondContact O-CG1 3.36Å; S827-I831 PolarHBondContact O-N 3.39Å |
| 828 | M | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -42 | 175.3 | -67.9 | -54.9 | 109.2 | 0 | 0 | 112 | A767 L806 R809 F810 D824 K826 L830 I831 I832 | A767-M828 HydrophobicContact CB-SD 4.49Å; A767-M828 WeakPolarHBondContact O-CE 3.26Å; L806-M828 HydrophobicContact CD2-SD 3.63Å; R809-M828 HydrophobicContact CB-CG 4.4Å; R809-M828 HydrophobicContact CB-SD 4.26Å; R809-M828 HydrophobicContact CG-CG 4.16Å; R809-M828 HydrophobicContact CG-SD 4.15Å; F810-M828 HydrophobicContact CB-CB 3.86Å; F810-M828 HydrophobicContact CB-CG 4.47Å; F810-M828 HydrophobicContact CD2-CB 4.45Å; D824-M828 VanDerWaalsContact O-CG 3.29Å; D824-M828 WeakPolarHBondContact O-CG 3.29Å; D824-M828 PolarHBondContact O-N 3.47Å; K826-M828 VanDerWaalsContact C-N 3.32Å; K826-M828 PolarHBondContact O-N 3.21Å; M828-L830 VanDerWaalsContact C-N 3.33Å; M828-L830 PolarHBondContact O-N 3.31Å; M828-I831 HydrophobicContact CE-CD1 3.55Å; M828-I831 PolarHBondContact O-N 3.26Å; M828-I831 HydrophobicContact SD-CD1 4.25Å; M828-I832 WeakPolarHBondContact O-CB 3.22Å; M828-I832 WeakPolarHBondContact O-CD1 3.38Å; M828-I832 WeakPolarHBondContact O-CG1 3.15Å; M828-I832 PolarHBondContact O-N 3.46Å |
| 829 | L | 95.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.8 | -76.7 | 170.8 | 0 | 0 | 0 | 112.6 | F810 A825 K826 S827 I832 K833 L850 R868 F871 V875 | F810-L829 HydrophobicContact CD2-CD1 4.45Å; F810-L829 HydrophobicContact CD2-CD2 4.08Å; F810-L829 HydrophobicContact CD2-CG 3.8Å; F810-L829 HydrophobicContact CE1-CD2 4.19Å; F810-L829 HydrophobicContact CE2-CD1 3.67Å; F810-L829 HydrophobicContact CE2-CD2 3.62Å; F810-L829 HydrophobicContact CE2-CG 3.43Å; F810-L829 VanDerWaalsContact CE2-CG 3.43Å; F810-L829 HydrophobicContact CZ-CD1 4.19Å; F810-L829 HydrophobicContact CZ-CD2 3.68Å; F810-L829 HydrophobicContact CZ-CG 4.01Å; A825-L829 WeakPolarHBondContact O-CG 3.46Å; A825-L829 PolarHBondContact O-N 2.92Å; K826-L829 WeakPolarHBondContact O-CB 3.47Å; K826-L829 PolarHBondContact O-N 3.2Å; S827-L829 PolarHBondContact O-N 3.07Å; L829-I832 PolarHBondContact O-N 3.29Å; L829-K833 WeakPolarHBondContact O-CB 3.17Å; L829-K833 PolarHBondContact O-N 3.23Å; L829-L850 HydrophobicContact CD2-CD2 3.84Å; L829-R868 HydrophobicContact CD1-CG 3.79Å; L829-F871 HydrophobicContact CB-CB 3.96Å; L829-F871 HydrophobicContact CD1-CB 4.07Å; L829-V875 HydrophobicContact CD2-CG2 4.16Å; L829-V875 VanDerWaalsContact O-CG2 3.29Å; L829-V875 WeakPolarHBondContact O-CG2 3.38Å |
| 830 | L | 93.9 | Very high | 86.6 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.2 | -72.1 | 175.8 | 0 | 0 | 0 | 111.7 | I774 K826 S827 M828 K833 M834 F871 | I774-L830 HydrophobicContact CG2-CB 4.42Å; I774-L830 HydrophobicContact CG2-CD1 3.69Å; K826-L830 PolarHBondContact O-N 2.96Å; S827-L830 PolarHBondContact O-N 3.26Å; M828-L830 VanDerWaalsContact C-N 3.33Å; M828-L830 PolarHBondContact O-N 3.31Å; L830-K833 HydrophobicContact CD2-CD 4.36Å; L830-K833 WeakPolarHBondContact O-CB 3.13Å; L830-K833 PolarHBondContact O-N 3.36Å; L830-M834 VanDerWaalsContact O-CG 3.32Å; L830-M834 WeakPolarHBondContact O-CG 3.35Å; L830-M834 PolarHBondContact O-N 3.02Å; L830-F871 HydrophobicContact CD1-CE2 4.05Å; L830-F871 HydrophobicContact CD1-CZ 4.08Å; L830-F871 HydrophobicContact CD2-CD1 3.75Å; L830-F871 HydrophobicContact CD2-CD2 4.32Å; L830-F871 HydrophobicContact CD2-CE1 3.75Å; L830-F871 HydrophobicContact CD2-CE2 4.31Å; L830-F871 HydrophobicContact CD2-CG 4.07Å; L830-F871 HydrophobicContact CD2-CZ 4.05Å; L830-F871 HydrophobicContact CG-CD1 4.48Å; L830-F871 HydrophobicContact CG-CD2 4.18Å; L830-F871 HydrophobicContact CG-CE1 4.45Å; L830-F871 HydrophobicContact CG-CE2 4.12Å; L830-F871 HydrophobicContact CG-CG 4.37Å; L830-F871 HydrophobicContact CG-CZ 4.28Å |
| 831 | I | 92.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.8 | -64.6 | 158 | 0 | 0 | 0 | 110.2 | L770 I774 L806 S827 M828 K833 M834 I835 | L770-I831 HydrophobicContact CB-CD1 3.51Å; L770-I831 HydrophobicContact CB-CG1 4.3Å; L770-I831 HydrophobicContact CD1-CD1 4.47Å; L770-I831 HydrophobicContact CD1-CG2 4.29Å; I774-I831 HydrophobicContact CD1-CG1 4.34Å; I774-I831 HydrophobicContact CG1-CD1 4.25Å; I774-I831 HydrophobicContact CG1-CG1 3.98Å; L806-I831 HydrophobicContact CD1-CG2 3.89Å; L806-I831 HydrophobicContact CD2-CG2 4.39Å; S827-I831 WeakPolarHBondContact O-CD1 3.2Å; S827-I831 VanDerWaalsContact O-CG1 3.3Å; S827-I831 WeakPolarHBondContact O-CG1 3.36Å; S827-I831 PolarHBondContact O-N 3.39Å; M828-I831 HydrophobicContact CE-CD1 3.55Å; M828-I831 PolarHBondContact O-N 3.26Å; M828-I831 HydrophobicContact SD-CD1 4.25Å; I831-K833 VanDerWaalsContact C-N 3.3Å; I831-K833 PolarHBondContact O-N 3.2Å; I831-M834 WeakPolarHBondContact O-CB 3.46Å; I831-M834 PolarHBondContact O-N 3.24Å; I831-I835 HydrophobicContact CG2-CD1 3.84Å; I831-I835 HydrophobicContact CG2-CG1 4.46Å; I831-I835 WeakPolarHBondContact O-CG1 3.27Å; I831-I835 PolarHBondContact O-N 3.44Å |
| 832 | I | 93.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -41 | 176.5 | -70.9 | 164.8 | 0 | 0 | 0 | 110.7 | W807 F810 M828 L829 M834 I835 V836 V875 | W807-I832 HydrophobicContact CD2-CD1 3.92Å; W807-I832 HydrophobicContact CE3-CD1 3.86Å; W807-I832 HydrophobicContact CG-CD1 4.46Å; W807-I832 HydrophobicContact CH2-CD1 4.45Å; W807-I832 HydrophobicContact CH2-CG2 3.61Å; W807-I832 HydrophobicContact CZ2-CG2 3.39Å; W807-I832 HydrophobicContact CZ3-CD1 4.13Å; W807-I832 HydrophobicContact CZ3-CG2 4.32Å; F810-I832 HydrophobicContact CB-CD1 4.03Å; F810-I832 HydrophobicContact CG-CD1 4.38Å; M828-I832 WeakPolarHBondContact O-CB 3.22Å; M828-I832 WeakPolarHBondContact O-CD1 3.38Å; M828-I832 WeakPolarHBondContact O-CG1 3.15Å; M828-I832 PolarHBondContact O-N 3.46Å; L829-I832 PolarHBondContact O-N 3.29Å; I832-M834 VanDerWaalsContact C-N 3.3Å; I832-M834 PolarHBondContact O-N 2.85Å; I832-I835 PolarHBondContact O-N 3.46Å; I832-V836 HydrophobicContact CG2-CG2 4.02Å; I832-V836 WeakPolarHBondContact O-CB 3.31Å; I832-V836 VanDerWaalsContact O-CG2 3.31Å; I832-V836 WeakPolarHBondContact O-CG2 3.34Å; I832-V836 PolarHBondContact O-N 3.23Å; I832-V875 HydrophobicContact CG2-CG1 3.78Å; I832-V875 HydrophobicContact CG2-CG2 4.23Å |
| 833 | K | 91.5 | Very high | 83.9 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.1 | 171.3 | -168.9 | 167.8 | -173.9 | 0 | 111.6 | L829 L830 I831 E874 V875 | L829-K833 WeakPolarHBondContact O-CB 3.17Å; L829-K833 PolarHBondContact O-N 3.23Å; L830-K833 HydrophobicContact CD2-CD 4.36Å; L830-K833 WeakPolarHBondContact O-CB 3.13Å; L830-K833 PolarHBondContact O-N 3.36Å; I831-K833 VanDerWaalsContact C-N 3.3Å; I831-K833 PolarHBondContact O-N 3.2Å; K833-E874 HydrophobicContact CD-CB 4.09Å; K833-E874 WeakPolarHBondContact CD-OE2 3.46Å; K833-E874 WeakPolarHBondContact CE-OE2 3.47Å; K833-E874 IonicContact NZ-OE2 3.62Å; K833-E874 PolarHBondContact NZ-OE2 2.87Å; K833-V875 HydrophobicContact CB-CG2 3.8Å |
| 834 | M | 90.3 | Very high | 83.1 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 176.5 | -63.4 | 173.2 | -173.7 | 0 | 0 | 111.7 | I774 L782 M785 E786 I789 L830 I831 I832 | I774-M834 HydrophobicContact CD1-CE 3.87Å; L782-M834 HydrophobicContact CB-CE 4Å; L782-M834 HydrophobicContact CD2-CE 3.99Å; L782-M834 WeakPolarHBondContact O-CE 3.25Å; M785-M834 HydrophobicContact CB-SD 4.46Å; M785-M834 HydrophobicContact CG-SD 4.12Å; E786-M834 HydrophobicContact CB-CB 4.38Å; E786-M834 HydrophobicContact CB-CG 3.83Å; E786-M834 HydrophobicContact CB-SD 4.26Å; E786-M834 HydrophobicContact CG-CB 4.17Å; E786-M834 HydrophobicContact CG-CG 3.95Å; I789-M834 HydrophobicContact CD1-CB 4.03Å; I789-M834 HydrophobicContact CD1-SD 3.85Å; L830-M834 VanDerWaalsContact O-CG 3.32Å; L830-M834 WeakPolarHBondContact O-CG 3.35Å; L830-M834 PolarHBondContact O-N 3.02Å; I831-M834 WeakPolarHBondContact O-CB 3.46Å; I831-M834 PolarHBondContact O-N 3.24Å; I832-M834 VanDerWaalsContact C-N 3.3Å; I832-M834 PolarHBondContact O-N 2.85Å |
| 835 | I | 88.5 | Confident | 82.6 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -52.3 | 179.5 | -67.7 | 167.7 | 0 | 0 | 0 | 111.6 | I789 I793 F798 I803 L806 I831 I832 K837 S838 | I789-I835 HydrophobicContact CG2-CG1 3.99Å; I793-I835 HydrophobicContact CD1-CB 4.2Å; I793-I835 HydrophobicContact CD1-CG1 4.22Å; I793-I835 HydrophobicContact CD1-CG2 3.96Å; F798-I835 HydrophobicContact CE1-CD1 3.82Å; F798-I835 HydrophobicContact CE1-CG1 4.42Å; F798-I835 HydrophobicContact CZ-CD1 3.64Å; F798-I835 HydrophobicContact CZ-CG1 4.15Å; I803-I835 HydrophobicContact CD1-CG2 4.34Å; I803-I835 HydrophobicContact CG1-CG2 4.41Å; L806-I835 HydrophobicContact CD1-CD1 3.48Å; L806-I835 VanDerWaalsContact CD1-CD1 3.48Å; I831-I835 HydrophobicContact CG2-CD1 3.84Å; I831-I835 HydrophobicContact CG2-CG1 4.46Å; I831-I835 WeakPolarHBondContact O-CG1 3.27Å; I831-I835 PolarHBondContact O-N 3.44Å; I832-I835 PolarHBondContact O-N 3.46Å; I835-K837 PolarHBondContact O-N 3.05Å; I835-K837 VanDerWaalsContact O-N 3.11Å; I835-S838 PolarHBondContact O-N 3.26Å; I835-S838 VanDerWaalsContact O-N 3.08Å; I835-S838 PolarHBondContact O-OG 3.41Å |
| 836 | V | 85 | Confident | 82.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -33.1 | -172.5 | 163.6 | 0 | 0 | 0 | 0 | 112.7 | I832 S838 R878 M879 | I832-V836 HydrophobicContact CG2-CG2 4.02Å; I832-V836 WeakPolarHBondContact O-CB 3.31Å; I832-V836 VanDerWaalsContact O-CG2 3.31Å; I832-V836 WeakPolarHBondContact O-CG2 3.34Å; I832-V836 PolarHBondContact O-N 3.23Å; V836-S838 PolarHBondContact O-N 2.91Å; V836-R878 HydrophobicContact CB-CB 4.48Å; V836-R878 HydrophobicContact CG1-CB 3.78Å; V836-M879 HydrophobicContact CB-CG 4.34Å; V836-M879 HydrophobicContact CG1-CB 4.13Å; V836-M879 HydrophobicContact CG1-CG 3.39Å; V836-M879 HydrophobicContact CG2-CG 4.01Å |
| 837 | K | 79.2 | Confident | 82.1 | Confident | 105 Ų | 105 | 38.5 Ų | 38.5 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.8 | -178.6 | -178.2 | 170.3 | 159.8 | -172.2 | 0 | 113.5 | E786 I835 | E786-K837 WeakPolarHBondContact OE1-CD 3.39Å; E786-K837 WeakPolarHBondContact OE1-CE 3.37Å; E786-K837 IonicContact OE1-NZ 3.64Å; E786-K837 PolarHBondContact OE1-NZ 3Å; I835-K837 PolarHBondContact O-N 3.05Å; I835-K837 VanDerWaalsContact O-N 3.11Å |
| 838 | S | 70.4 | Confident | 82 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.8 | -173.7 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | I793 I835 V836 | I793-S838 WeakPolarHBondContact CD1-OG 3.43Å; I793-S838 VanDerWaalsContact CG2-OG 3.29Å; I793-S838 WeakPolarHBondContact CG2-OG 3.4Å; I835-S838 PolarHBondContact O-N 3.26Å; I835-S838 VanDerWaalsContact O-N 3.08Å; I835-S838 PolarHBondContact O-OG 3.41Å; V836-S838 PolarHBondContact O-N 2.91Å |
| 839 | G | 59.7 | Low | 81.8 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 57% | 0.567 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 155.7 | -17.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | K841 | G839-K841 PolarHBondContact O-N 3.26Š|
| 840 | A | 54.2 | Low | 81.8 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | trans | -80.6 | 77.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E842 | A840-E842 PolarHBondContact O-N 3.23Š| ||
| 841 | K | 64 | Low | 81.7 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 38% | 0.378 | 23% | 0.225 | S | C | . | . | trans | -82.5 | 59 | 176.4 | -56.5 | -166.1 | -174.8 | -170.5 | 0 | 112.1 | G839 I843 S882 | G839-K841 PolarHBondContact O-N 3.26Å; K841-I843 VanDerWaalsContact C-N 3.29Å; K841-I843 PolarHBondContact O-N 3.33Å; K841-S882 VanDerWaalsContact NZ-N 3.14Å; K841-S882 PolarHBondContact NZ-OG 3.47Å | ||
| 842 | E | 68.7 | Low | 81.7 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | trans | -89.8 | 49 | 177 | -63.1 | -164.4 | 157.1 | 0 | 0 | 112.5 | A840 N844 R845 M879 | A840-E842 PolarHBondContact O-N 3.23Å; E842-N844 PolarHBondContact O-N 2.95Å; E842-N844 VanDerWaalsContact O-N 3.11Å; E842-R845 HydrophobicContact CB-CB 4.12Å; E842-R845 PolarHBondContact O-N 3.18Å; E842-R845 WeakPolarHBondContact OE2-CD 3.36Å; E842-R845 IonicContact OE2-NH1 2.79Å; E842-R845 PolarHBondContact OE2-NH1 3.26Å; E842-M879 WeakPolarHBondContact O-CE 3.41Å | ||
| 843 | I | 73.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.5 | -38.1 | -177.6 | -165.3 | 166 | 0 | 0 | 0 | 112 | K841 R845 H846 L847 M879 F898 L940 | K841-I843 VanDerWaalsContact C-N 3.29Å; K841-I843 PolarHBondContact O-N 3.33Å; I843-R845 VanDerWaalsContact C-N 3.27Å; I843-R845 PolarHBondContact O-N 3.06Å; I843-H846 PolarHBondContact O-N 3.23Å; I843-L847 HydrophobicContact CG1-CB 4.4Å; I843-L847 WeakPolarHBondContact O-CB 3.35Å; I843-L847 PolarHBondContact O-N 2.7Å; I843-M879 HydrophobicContact CB-CB 4.09Å; I843-M879 HydrophobicContact CB-CE 4.46Å; I843-M879 HydrophobicContact CD1-CB 4.23Å; I843-M879 HydrophobicContact CG1-CB 4.14Å; I843-F898 HydrophobicContact CD1-CD1 4.45Å; I843-F898 HydrophobicContact CD1-CE1 4.03Å; I843-F898 HydrophobicContact CG2-CD1 4.44Å; I843-F898 HydrophobicContact CG2-CE1 3.97Å; I843-F898 HydrophobicContact CG2-CE2 4.49Å; I843-F898 HydrophobicContact CG2-CZ 3.99Å; I843-L940 HydrophobicContact CD1-CD1 4.41Å; I843-L940 HydrophobicContact CD1-CD2 4.2Å |
| 844 | N | 74.2 | Confident | 81.6 | Confident | 129 Ų | 129 | 48.5 Ų | 48.5 | 69% | 0.69 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.3 | -28.8 | -179.4 | -64.5 | -38.8 | 0 | 0 | 0 | 113.6 | E842 | E842-N844 PolarHBondContact O-N 2.95Å; E842-N844 VanDerWaalsContact O-N 3.11Å |
| 845 | R | 82 | Confident | 81.8 | Confident | 130 Ų | 130 | 48.2 Ų | 48.2 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.5 | -35.4 | -177.8 | -171.8 | 179.9 | 177.4 | -163.7 | -7.8 | 112.1 | D804 E842 I843 | D804-R845 IonicContact OD1-CZ 3.51Å; D804-R845 IonicContact OD1-NH1 3.17Å; D804-R845 PolarHBondContact OD1-NH1 2.78Å; D804-R845 IonicContact OD1-NH2 2.61Å; D804-R845 PolarHBondContact OD1-NH2 3.38Å; D804-R845 IonicContact OD2-NH2 3.71Å; E842-R845 HydrophobicContact CB-CB 4.12Å; E842-R845 PolarHBondContact O-N 3.18Å; E842-R845 WeakPolarHBondContact OE2-CD 3.36Å; E842-R845 IonicContact OE2-NH1 2.79Å; E842-R845 PolarHBondContact OE2-NH1 3.26Å; I843-R845 VanDerWaalsContact C-N 3.27Å; I843-R845 PolarHBondContact O-N 3.06Å |
| 846 | H | 88.2 | Confident | 81.5 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.069 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -116.1 | -6.3 | -169.8 | -59.7 | -69.6 | 0 | 0 | 0 | 115.4 | W807 I843 D848 T849 L850 M879 | W807-H846 AromaticContact CD1-CE1 3.55Å; W807-H846 AromaticContact CD1-NE2 3.79Å; W807-H846 AromaticContact CD2-CE1 3.62Å; W807-H846 AromaticContact CD2-CG 3.89Å; W807-H846 AromaticContact CD2-ND1 3.46Å; W807-H846 AromaticContact CE2-CD2 3.66Å; W807-H846 AromaticContact CE2-CE1 3.67Å; W807-H846 AromaticContact CE2-CG 3.63Å; W807-H846 AromaticContact CE2-ND1 3.65Å; W807-H846 AromaticContact CE2-NE2 3.71Å; W807-H846 HydrophobicContact CE3-CB 4.28Å; W807-H846 AromaticContact CE3-ND1 3.7Å; W807-H846 AromaticContact CG-CE1 3.56Å; W807-H846 AromaticContact CG-ND1 3.85Å; W807-H846 HydrophobicContact CH2-CB 3.51Å; W807-H846 AromaticContact CH2-CG 3.78Å; W807-H846 HydrophobicContact CZ2-CB 3.79Å; W807-H846 AromaticContact CZ2-CD2 3.68Å; W807-H846 AromaticContact CZ2-CG 3.58Å; W807-H846 HydrophobicContact CZ3-CB 3.77Å; W807-H846 AromaticContact NE1-CD2 3.84Å; W807-H846 AromaticContact NE1-CE1 3.61Å; W807-H846 AromaticContact NE1-NE2 3.47Å; W807-H846 PolarHBondContact NE1-NE2 2.75Å; I843-H846 PolarHBondContact O-N 3.23Å; H846-D848 VanDerWaalsContact C-N 3.28Å; H846-D848 PolarHBondContact O-N 3.22Å; H846-T849 WeakPolarHBondContact O-CB 3.37Å; H846-T849 PolarHBondContact O-N 2.61Å; H846-T849 VanDerWaalsContact O-N 3.16Å; H846-L850 WeakPolarHBondContact O-CG 3.5Å; H846-L850 PolarHBondContact O-N 3.13Å; H846-M879 HydrophobicContact CB-CE 4.07Å |
| 847 | L | 89.9 | Confident | 81.2 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -45.7 | 179.7 | 175.7 | 60.7 | 0 | 0 | 0 | 112.3 | I843 L850 I851 L876 L900 L906 | I843-L847 HydrophobicContact CG1-CB 4.4Å; I843-L847 WeakPolarHBondContact O-CB 3.35Å; I843-L847 PolarHBondContact O-N 2.7Å; L847-L850 PolarHBondContact O-N 3.21Å; L847-I851 HydrophobicContact CD1-CD1 4.01Å; L847-I851 HydrophobicContact CD1-CG1 4.41Å; L847-I851 HydrophobicContact CG-CD1 3.96Å; L847-I851 VanDerWaalsContact O-CG1 3.26Å; L847-I851 WeakPolarHBondContact O-CG1 3.5Å; L847-I851 PolarHBondContact O-N 3.07Å; L847-L876 HydrophobicContact CD1-CD2 3.61Å; L847-L900 HydrophobicContact CD2-CD1 3.9Å; L847-L906 HydrophobicContact CD1-CD2 4.31Å |
| 848 | D | 91.2 | Very high | 80.8 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 40% | 0.401 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | -179.2 | -173 | 43.9 | 0 | 0 | 0 | 112.1 | H846 I851 R852 | H846-D848 VanDerWaalsContact C-N 3.28Å; H846-D848 PolarHBondContact O-N 3.22Å; D848-I851 PolarHBondContact O-N 3.37Å; D848-R852 VanDerWaalsContact CG-NH1 3.26Å; D848-R852 WeakPolarHBondContact O-CG 3.46Å; D848-R852 PolarHBondContact O-N 3.28Å; D848-R852 IonicContact OD1-CZ 3.15Å; D848-R852 IonicContact OD1-NE 3.69Å; D848-R852 IonicContact OD1-NH1 3.55Å; D848-R852 IonicContact OD1-NH2 2.65Å; D848-R852 PolarHBondContact OD1-NH2 3.08Å; D848-R852 IonicContact OD2-CZ 2.91Å; D848-R852 IonicContact OD2-NH1 2.63Å; D848-R852 PolarHBondContact OD2-NH1 3.03Å; D848-R852 IonicContact OD2-NH2 3.6Å; D848-R852 PolarHBondContact OD2-NH2 3.2Å |
| 849 | T | 92.3 | Very high | 80.8 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 171.9 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | W807 F810 I811 H846 I851 R852 H853 | W807-T849 HydrophobicContact CE3-CG2 4.42Å; F810-T849 HydrophobicContact CD1-CG2 4.43Å; F810-T849 HydrophobicContact CE1-CG2 4.4Å; I811-T849 HydrophobicContact CD1-CG2 3.65Å; I811-T849 HydrophobicContact CG1-CG2 3.48Å; I811-T849 VanDerWaalsContact CG1-CG2 3.48Å; H846-T849 WeakPolarHBondContact O-CB 3.37Å; H846-T849 PolarHBondContact O-N 2.61Å; H846-T849 VanDerWaalsContact O-N 3.16Å; T849-I851 VanDerWaalsContact C-N 3.35Å; T849-I851 PolarHBondContact O-N 3.49Å; T849-R852 PolarHBondContact O-N 3.2Å; T849-H853 WeakPolarHBondContact O-CB 3.43Å; T849-H853 PolarHBondContact O-CD2 3.33Å; T849-H853 PolarHBondContact O-N 3.34Å |
| 850 | L | 94.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -66.3 | -36.4 | 179.4 | -70.5 | 170.1 | 0 | 0 | 0 | 112 | W807 F810 L829 H846 L847 G854 L855 T872 V875 L876 M879 | W807-L850 HydrophobicContact CH2-CD1 4.1Å; W807-L850 HydrophobicContact CH2-CD2 4.04Å; W807-L850 HydrophobicContact CH2-CG 4.11Å; W807-L850 HydrophobicContact CZ3-CD1 4.48Å; W807-L850 HydrophobicContact CZ3-CD2 3.8Å; W807-L850 HydrophobicContact CZ3-CG 3.98Å; F810-L850 HydrophobicContact CE1-CD2 4.22Å; L829-L850 HydrophobicContact CD2-CD2 3.84Å; H846-L850 WeakPolarHBondContact O-CG 3.5Å; H846-L850 PolarHBondContact O-N 3.13Å; L847-L850 PolarHBondContact O-N 3.21Å; L850-G854 WeakPolarHBondContact O-CA 3.46Å; L850-G854 PolarHBondContact O-N 3.31Å; L850-L855 PolarHBondContact O-N 3.33Å; L850-T872 HydrophobicContact CB-CG2 3.9Å; L850-T872 HydrophobicContact CD2-CG2 4.1Å; L850-V875 HydrophobicContact CD1-CG1 3.9Å; L850-V875 HydrophobicContact CD2-CG1 4.23Å; L850-L876 HydrophobicContact CB-CD2 4.37Å; L850-L876 HydrophobicContact CD1-CD2 3.48Å; L850-L876 VanDerWaalsContact CD1-CD2 3.48Å; L850-L876 HydrophobicContact CD1-CG 3.88Å; L850-M879 HydrophobicContact CD1-SD 3.83Å |
| 851 | I | 93.5 | Very high | 82.3 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -65.5 | -52.4 | 175.8 | -67.2 | 163.8 | 0 | 0 | 0 | 110.5 | L847 D848 T849 L855 E856 V905 L906 | L847-I851 HydrophobicContact CD1-CD1 4.01Å; L847-I851 HydrophobicContact CD1-CG1 4.41Å; L847-I851 HydrophobicContact CG-CD1 3.96Å; L847-I851 VanDerWaalsContact O-CG1 3.26Å; L847-I851 WeakPolarHBondContact O-CG1 3.5Å; L847-I851 PolarHBondContact O-N 3.07Å; D848-I851 PolarHBondContact O-N 3.37Å; T849-I851 VanDerWaalsContact C-N 3.35Å; T849-I851 PolarHBondContact O-N 3.49Å; I851-L855 HydrophobicContact CG1-CD1 4.45Å; I851-L855 WeakPolarHBondContact O-CB 3.46Å; I851-L855 PolarHBondContact O-N 3.36Å; I851-E856 PolarHBondContact O-N 2.78Å; I851-V905 HydrophobicContact CG2-CG1 4.07Å; I851-L906 HydrophobicContact CD1-CB 3.91Å; I851-L906 HydrophobicContact CD1-CD1 4.35Å; I851-L906 HydrophobicContact CG1-CB 4.32Å; I851-L906 HydrophobicContact CG1-CD1 3.9Å |
| 852 | R | 91.5 | Very high | 82.9 | Confident | 127 Ų | 127 | 57.9 Ų | 57.9 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -68.6 | -45.1 | -176.7 | -68.1 | -166.1 | -164.3 | 105.2 | 8.7 | 113.2 | D848 T849 E856 | D848-R852 VanDerWaalsContact CG-NH1 3.26Å; D848-R852 WeakPolarHBondContact O-CG 3.46Å; D848-R852 PolarHBondContact O-N 3.28Å; D848-R852 IonicContact OD1-CZ 3.15Å; D848-R852 IonicContact OD1-NE 3.69Å; D848-R852 IonicContact OD1-NH1 3.55Å; D848-R852 IonicContact OD1-NH2 2.65Å; D848-R852 PolarHBondContact OD1-NH2 3.08Å; D848-R852 IonicContact OD2-CZ 2.91Å; D848-R852 IonicContact OD2-NH1 2.63Å; D848-R852 PolarHBondContact OD2-NH1 3.03Å; D848-R852 IonicContact OD2-NH2 3.6Å; D848-R852 PolarHBondContact OD2-NH2 3.2Å; T849-R852 PolarHBondContact O-N 3.2Å; R852-E856 WeakPolarHBondContact O-CB 3.47Å |
| 853 | H | 92 | Very high | 83.5 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -97.9 | -28.1 | -172 | -64 | -74 | 0 | 0 | 0 | 113.2 | F810 A814 S815 T849 R868 | F810-H853 HydrophobicContact CE1-CB 3.93Å; F810-H853 HydrophobicContact CZ-CB 4.04Å; A814-H853 HydrophobicContact CB-CB 3.81Å; S815-H853 PolarHBondContact OG-CE1 3.29Å; S815-H853 PolarHBondContact OG-ND1 2.88Å; T849-H853 WeakPolarHBondContact O-CB 3.43Å; T849-H853 PolarHBondContact O-CD2 3.33Å; T849-H853 PolarHBondContact O-N 3.34Å; H853-R868 PolarHBondContact O-NH1 2.96Å |
| 854 | G | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -87 | -43.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L850 R868 T872 | L850-G854 WeakPolarHBondContact O-CA 3.46Å; L850-G854 PolarHBondContact O-N 3.31Å; G854-R868 PolarHBondContact O-NE 3.11Å; G854-R868 PolarHBondContact O-NH2 3.06Å; G854-T872 VanDerWaalsContact CA-OG1 3.29Å; G854-T872 WeakPolarHBondContact CA-OG1 3.41Å |
| 855 | L | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -100.5 | -25.8 | -172.1 | -52.5 | -178.5 | 0 | 0 | 0 | 114.4 | L850 I851 V869 T872 L906 R909 L910 I913 | L850-L855 PolarHBondContact O-N 3.33Å; I851-L855 HydrophobicContact CG1-CD1 4.45Å; I851-L855 WeakPolarHBondContact O-CB 3.46Å; I851-L855 PolarHBondContact O-N 3.36Å; L855-V869 HydrophobicContact CD2-CB 4.33Å; L855-V869 HydrophobicContact CD2-CG1 3.92Å; L855-V869 HydrophobicContact CD2-CG2 4.22Å; L855-T872 HydrophobicContact CD2-CG2 3.69Å; L855-T872 HydrophobicContact CG-CG2 3.97Å; L855-L906 HydrophobicContact CD1-CD1 3.56Å; L855-R909 HydrophobicContact CB-CG 3.81Å; L855-R909 HydrophobicContact CD1-CG 4.43Å; L855-R909 VanDerWaalsContact O-CZ 3.23Å; L855-R909 PolarHBondContact O-NE 3.03Å; L855-R909 PolarHBondContact O-NH2 3.03Å; L855-L910 HydrophobicContact CD1-CD2 4.04Å; L855-L910 HydrophobicContact CD1-CG 4.42Å; L855-L910 HydrophobicContact CD2-CD2 4.22Å; L855-I913 HydrophobicContact CB-CD1 4.15Å |
| 856 | E | 83.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -83 | 137.3 | -178.2 | -153.6 | 166 | -179.9 | 0 | 0 | 111.6 | I851 R852 R868 | I851-E856 PolarHBondContact O-N 2.78Å; R852-E856 WeakPolarHBondContact O-CB 3.47Å; E856-R868 PolarHBondContact O-NH2 3.43Å |
| 857 | P | 77.4 | Confident | 85.6 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 20% | 0.195 | 29% | 0.286 | C | S | . | . | trans | -72.9 | 145.2 | 171.8 | 10.5 | 11.7 | 0 | 0 | 0 | 107.3 | D859 | P857-D859 VanDerWaalsContact C-N 3.29Å; P857-D859 PolarHBondContact O-N 3.29Å | ||
| 858 | L | 70.9 | Confident | 85.8 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -63.7 | -40.6 | -179.2 | -167 | 72.5 | 0 | 0 | 0 | 111.7 | S815 T817 | S815-L858 WeakPolarHBondContact O-CD2 3.47Å; T817-L858 HydrophobicContact CG2-CD2 3.4Å |
| 859 | D | 71 | Confident | 86.1 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -130.8 | 145.7 | 169.9 | -179.1 | 11.2 | 0 | 0 | 0 | 109.1 | P857 S861 C862 | P857-D859 VanDerWaalsContact C-N 3.29Å; P857-D859 PolarHBondContact O-N 3.29Å; D859-S861 VanDerWaalsContact CG-OG 3.26Å; D859-S861 PolarHBondContact O-N 3.15Å; D859-S861 PolarHBondContact OD1-N 3.25Å; D859-S861 WeakPolarHBondContact OD2-CB 3.47Å; D859-S861 PolarHBondContact OD2-OG 2.91Å; D859-C862 PolarHBondContact O-N 3.22Å |
| 860 | S | 71.3 | Confident | 86.3 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 83% | 0.832 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -23.3 | 169.4 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 861 | S | 74.7 | Confident | 86.3 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -24.1 | 175.8 | 71 | 0 | 0 | 0 | 0 | 114.2 | D859 | D859-S861 VanDerWaalsContact CG-OG 3.26Å; D859-S861 PolarHBondContact O-N 3.15Å; D859-S861 PolarHBondContact OD1-N 3.25Å; D859-S861 WeakPolarHBondContact OD2-CB 3.47Å; D859-S861 PolarHBondContact OD2-OG 2.91Å |
| 862 | C | 75.6 | Confident | 86.4 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.2 | 139.3 | -176.4 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | D859 | D859-C862 PolarHBondContact O-N 3.22Š|
| 863 | P | 81.3 | Confident | 86.7 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -63.4 | 149.7 | 172 | 28.8 | -34 | 0 | 0 | 0 | 110.5 | D865 | P863-D865 PolarHBondContact O-N 3.05Š|
| 864 | I | 86.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 120.6 | 176.5 | -61 | 164.3 | 0 | 0 | 0 | 108.5 | L866 V869 I913 T917 | I864-L866 HydrophobicContact CG2-CD2 4.21Å; I864-L866 PolarHBondContact O-N 3.46Å; I864-V869 HydrophobicContact CG2-CG2 3.97Å; I864-I913 HydrophobicContact CD1-CG1 4.24Å; I864-I913 HydrophobicContact CG2-CG1 4.48Å; I864-I913 HydrophobicContact CG2-CG2 4.13Å; I864-T917 HydrophobicContact CB-CG2 4.33Å; I864-T917 HydrophobicContact CD1-CG2 3.87Å |
| 865 | D | 90.1 | Very high | 86.9 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | trans | -71.8 | 104.5 | 171.6 | -175.2 | -22.2 | 0 | 0 | 0 | 110.2 | K826 P863 E867 R868 V869 | K826-D865 WeakPolarHBondContact CE-OD2 3.36Å; K826-D865 IonicContact NZ-OD2 2.88Å; P863-D865 PolarHBondContact O-N 3.05Å; D865-E867 VanDerWaalsContact C-N 3.3Å; D865-E867 PolarHBondContact O-N 2.9Å; D865-E867 WeakPolarHBondContact OD1-CB 3.35Å; D865-E867 PolarHBondContact OD1-N 3.27Å; D865-R868 HydrophobicContact CB-CB 3.97Å; D865-R868 PolarHBondContact OD1-N 3.48Å; D865-V869 VanDerWaalsContact O-CG2 3.3Å; D865-V869 WeakPolarHBondContact O-CG2 3.46Å; D865-V869 PolarHBondContact O-N 3.27Å | ||
| 866 | L | 93.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.6 | -29 | -177.9 | -56.3 | -167.7 | 0 | 0 | 0 | 112.9 | I864 K870 T917 Q923 L925 W926 M929 | I864-L866 HydrophobicContact CG2-CD2 4.21Å; I864-L866 PolarHBondContact O-N 3.46Å; L866-K870 WeakPolarHBondContact O-CB 3.36Å; L866-K870 PolarHBondContact O-N 2.97Å; L866-T917 HydrophobicContact CD2-CG2 3.87Å; L866-Q923 HydrophobicContact CD1-CB 3.81Å; L866-Q923 HydrophobicContact CD1-CG 4.05Å; L866-L925 HydrophobicContact CB-CB 4.29Å; L866-W926 HydrophobicContact CD1-CB 4.17Å; L866-M929 HydrophobicContact CB-CB 4.45Å; L866-M929 HydrophobicContact CB-CG 4.42Å; L866-M929 HydrophobicContact CD2-CE 4.12Å |
| 867 | E | 92.9 | Very high | 87.1 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.3 | -45.7 | -179.8 | -174.2 | 170.5 | -140.6 | 0 | 0 | 110.5 | K826 D865 V869 K870 F871 L925 | K826-E867 HydrophobicContact CD-CG 4.21Å; K826-E867 WeakPolarHBondContact CD-OE2 3.39Å; K826-E867 WeakPolarHBondContact CE-OE2 3.43Å; K826-E867 IonicContact NZ-OE2 2.64Å; K826-E867 PolarHBondContact NZ-OE2 3.39Å; D865-E867 VanDerWaalsContact C-N 3.3Å; D865-E867 PolarHBondContact O-N 2.9Å; D865-E867 WeakPolarHBondContact OD1-CB 3.35Å; D865-E867 PolarHBondContact OD1-N 3.27Å; E867-V869 VanDerWaalsContact C-N 3.29Å; E867-V869 PolarHBondContact O-N 3.24Å; E867-K870 WeakPolarHBondContact O-CB 3.2Å; E867-K870 PolarHBondContact O-N 2.96Å; E867-F871 HydrophobicContact CG-CD2 4.05Å; E867-F871 HydrophobicContact CG-CE1 4.48Å; E867-F871 HydrophobicContact CG-CE2 3.45Å; E867-F871 VanDerWaalsContact CG-CE2 3.45Å; E867-F871 HydrophobicContact CG-CZ 3.69Å; E867-F871 WeakPolarHBondContact O-CG 3.47Å; E867-F871 PolarHBondContact O-N 2.95Å; E867-L925 HydrophobicContact CB-CD1 3.87Å; E867-L925 HydrophobicContact CG-CD1 4.42Å |
| 868 | R | 93.8 | Very high | 87.6 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.1 | -168.1 | -177.6 | 70 | 176 | 3.4 | 111.6 | L829 H853 G854 E856 D865 F871 T872 | L829-R868 HydrophobicContact CD1-CG 3.79Å; H853-R868 PolarHBondContact O-NH1 2.96Å; G854-R868 PolarHBondContact O-NE 3.11Å; G854-R868 PolarHBondContact O-NH2 3.06Å; E856-R868 PolarHBondContact O-NH2 3.43Å; D865-R868 HydrophobicContact CB-CB 3.97Å; D865-R868 PolarHBondContact OD1-N 3.48Å; R868-F871 PolarHBondContact O-N 3.47Å; R868-T872 VanDerWaalsContact O-CB 3.3Å; R868-T872 WeakPolarHBondContact O-CB 3.42Å; R868-T872 PolarHBondContact O-N 2.92Å; R868-T872 PolarHBondContact O-OG1 2.93Å |
| 869 | V | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.3 | L855 I864 D865 E867 T872 C873 I913 M929 | L855-V869 HydrophobicContact CD2-CB 4.33Å; L855-V869 HydrophobicContact CD2-CG1 3.92Å; L855-V869 HydrophobicContact CD2-CG2 4.22Å; I864-V869 HydrophobicContact CG2-CG2 3.97Å; D865-V869 VanDerWaalsContact O-CG2 3.3Å; D865-V869 WeakPolarHBondContact O-CG2 3.46Å; D865-V869 PolarHBondContact O-N 3.27Å; E867-V869 VanDerWaalsContact C-N 3.29Å; E867-V869 PolarHBondContact O-N 3.24Å; V869-T872 PolarHBondContact O-N 2.94Å; V869-C873 PolarHBondContact O-N 3.37Å; V869-C873 PolarHBondContact O-SG 3Å; V869-I913 HydrophobicContact CG1-CD1 4.38Å; V869-I913 HydrophobicContact CG1-CG2 4.46Å; V869-I913 HydrophobicContact CG2-CD1 4.09Å; V869-M929 HydrophobicContact CB-CG 4.1Å; V869-M929 HydrophobicContact CG1-CG 3.71Å; V869-M929 HydrophobicContact CG1-SD 3.84Å |
| 870 | K | 96.8 | Very high | 88.9 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -53.3 | 175.6 | 174.8 | -161.7 | 154.1 | -166.9 | 0 | 110.7 | L866 E867 T872 C873 E874 P928 M929 Q932 | L866-K870 WeakPolarHBondContact O-CB 3.36Å; L866-K870 PolarHBondContact O-N 2.97Å; E867-K870 WeakPolarHBondContact O-CB 3.2Å; E867-K870 PolarHBondContact O-N 2.96Å; K870-T872 VanDerWaalsContact C-N 3.33Å; K870-T872 PolarHBondContact O-N 3.49Å; K870-C873 WeakPolarHBondContact O-CB 3.26Å; K870-C873 PolarHBondContact O-N 2.99Å; K870-C873 VanDerWaalsContact O-N 3.13Å; K870-E874 WeakPolarHBondContact CE-OE1 3.24Å; K870-E874 IonicContact NZ-OE1 2.72Å; K870-E874 WeakPolarHBondContact O-CG 3.43Å; K870-E874 PolarHBondContact O-N 3.39Å; K870-P928 HydrophobicContact CD-CB 4.4Å; K870-M929 HydrophobicContact CB-CB 4.27Å; K870-M929 HydrophobicContact CB-CG 4.5Å; K870-Q932 HydrophobicContact CG-CG 4.06Å |
| 871 | F | 95.3 | Very high | 89 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | -179.7 | -63.1 | -27.9 | 0 | 0 | 0 | 112.6 | K826 L829 L830 E867 R868 C873 E874 V875 | K826-F871 HydrophobicContact CB-CD2 4.02Å; K826-F871 HydrophobicContact CB-CE2 4.06Å; K826-F871 HydrophobicContact CG-CD2 4.27Å; K826-F871 HydrophobicContact CG-CE2 4.39Å; L829-F871 HydrophobicContact CB-CB 3.96Å; L829-F871 HydrophobicContact CD1-CB 4.07Å; L830-F871 HydrophobicContact CD1-CE2 4.05Å; L830-F871 HydrophobicContact CD1-CZ 4.08Å; L830-F871 HydrophobicContact CD2-CD1 3.75Å; L830-F871 HydrophobicContact CD2-CD2 4.32Å; L830-F871 HydrophobicContact CD2-CE1 3.75Å; L830-F871 HydrophobicContact CD2-CE2 4.31Å; L830-F871 HydrophobicContact CD2-CG 4.07Å; L830-F871 HydrophobicContact CD2-CZ 4.05Å; L830-F871 HydrophobicContact CG-CD1 4.48Å; L830-F871 HydrophobicContact CG-CD2 4.18Å; L830-F871 HydrophobicContact CG-CE1 4.45Å; L830-F871 HydrophobicContact CG-CE2 4.12Å; L830-F871 HydrophobicContact CG-CG 4.37Å; L830-F871 HydrophobicContact CG-CZ 4.28Å; E867-F871 HydrophobicContact CG-CD2 4.05Å; E867-F871 HydrophobicContact CG-CE1 4.48Å; E867-F871 HydrophobicContact CG-CE2 3.45Å; E867-F871 VanDerWaalsContact CG-CE2 3.45Å; E867-F871 HydrophobicContact CG-CZ 3.69Å; E867-F871 WeakPolarHBondContact O-CG 3.47Å; E867-F871 PolarHBondContact O-N 2.95Å; R868-F871 PolarHBondContact O-N 3.47Å; F871-C873 VanDerWaalsContact C-N 3.32Å; F871-C873 PolarHBondContact O-N 3Å; F871-E874 PolarHBondContact O-N 2.93Å; F871-V875 WeakPolarHBondContact O-CG2 3.33Å; F871-V875 PolarHBondContact O-N 3.21Å |
| 872 | T | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | L850 G854 L855 R868 V869 K870 V875 L876 | L850-T872 HydrophobicContact CB-CG2 3.9Å; L850-T872 HydrophobicContact CD2-CG2 4.1Å; G854-T872 VanDerWaalsContact CA-OG1 3.29Å; G854-T872 WeakPolarHBondContact CA-OG1 3.41Å; L855-T872 HydrophobicContact CD2-CG2 3.69Å; L855-T872 HydrophobicContact CG-CG2 3.97Å; R868-T872 VanDerWaalsContact O-CB 3.3Å; R868-T872 WeakPolarHBondContact O-CB 3.42Å; R868-T872 PolarHBondContact O-N 2.92Å; R868-T872 PolarHBondContact O-OG1 2.93Å; V869-T872 PolarHBondContact O-N 2.94Å; K870-T872 VanDerWaalsContact C-N 3.33Å; K870-T872 PolarHBondContact O-N 3.49Å; T872-V875 PolarHBondContact O-N 3.31Å; T872-L876 HydrophobicContact CG2-CD1 4.46Å; T872-L876 WeakPolarHBondContact O-CG 3.2Å; T872-L876 PolarHBondContact O-N 3.13Å |
| 873 | C | 96.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.2 | -66 | 0 | 0 | 0 | 0 | 111.5 | V869 K870 F871 V875 L876 G877 Q932 I936 | V869-C873 PolarHBondContact O-N 3.37Å; V869-C873 PolarHBondContact O-SG 3Å; K870-C873 WeakPolarHBondContact O-CB 3.26Å; K870-C873 PolarHBondContact O-N 2.99Å; K870-C873 VanDerWaalsContact O-N 3.13Å; F871-C873 VanDerWaalsContact C-N 3.32Å; F871-C873 PolarHBondContact O-N 3Å; C873-V875 VanDerWaalsContact C-N 3.35Å; C873-V875 PolarHBondContact O-N 3.45Å; C873-L876 PolarHBondContact O-N 3.24Å; C873-G877 PolarHBondContact O-N 2.98Å; C873-Q932 HydrophobicContact CB-CB 3.82Å; C873-I936 HydrophobicContact CB-CG1 3.82Å; C873-I936 WeakPolarHBondContact O-CD1 3.43Å; C873-I936 WeakPolarHBondContact O-CG1 3.48Å |
| 874 | E | 93.6 | Very high | 86.2 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.1 | -70.1 | 178.6 | -176.3 | 0 | 0 | 112.4 | K833 K870 F871 G877 R878 Q932 | K833-E874 HydrophobicContact CD-CB 4.09Å; K833-E874 WeakPolarHBondContact CD-OE2 3.46Å; K833-E874 WeakPolarHBondContact CE-OE2 3.47Å; K833-E874 IonicContact NZ-OE2 3.62Å; K833-E874 PolarHBondContact NZ-OE2 2.87Å; K870-E874 WeakPolarHBondContact CE-OE1 3.24Å; K870-E874 IonicContact NZ-OE1 2.72Å; K870-E874 WeakPolarHBondContact O-CG 3.43Å; K870-E874 PolarHBondContact O-N 3.39Å; F871-E874 PolarHBondContact O-N 2.93Å; E874-G877 PolarHBondContact O-N 3.37Å; E874-R878 WeakPolarHBondContact O-CG 3.39Å; E874-R878 PolarHBondContact O-N 3.39Å; E874-Q932 HydrophobicContact CG-CG 4.01Å |
| 875 | V | 93.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -52.6 | 172.8 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | W807 L829 I832 K833 L850 F871 T872 C873 G877 R878 M879 | W807-V875 HydrophobicContact CH2-CG1 4.37Å; L829-V875 HydrophobicContact CD2-CG2 4.16Å; L829-V875 VanDerWaalsContact O-CG2 3.29Å; L829-V875 WeakPolarHBondContact O-CG2 3.38Å; I832-V875 HydrophobicContact CG2-CG1 3.78Å; I832-V875 HydrophobicContact CG2-CG2 4.23Å; K833-V875 HydrophobicContact CB-CG2 3.8Å; L850-V875 HydrophobicContact CD1-CG1 3.9Å; L850-V875 HydrophobicContact CD2-CG1 4.23Å; F871-V875 WeakPolarHBondContact O-CG2 3.33Å; F871-V875 PolarHBondContact O-N 3.21Å; T872-V875 PolarHBondContact O-N 3.31Å; C873-V875 VanDerWaalsContact C-N 3.35Å; C873-V875 PolarHBondContact O-N 3.45Å; V875-G877 PolarHBondContact O-N 2.89Å; V875-R878 PolarHBondContact O-N 3.36Å; V875-M879 HydrophobicContact CG1-CG 4.34Å; V875-M879 HydrophobicContact CG1-SD 4.11Å; V875-M879 WeakPolarHBondContact O-CG 3.34Å; V875-M879 PolarHBondContact O-N 3.48Å; V875-M879 VanDerWaalsContact O-N 3.08Å |
| 876 | L | 92.6 | Very high | 82 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.6 | -42.4 | 178.7 | -74.7 | 172.4 | 0 | 0 | 0 | 111.8 | L847 L850 T872 C873 R878 M879 V880 L906 I936 | L847-L876 HydrophobicContact CD1-CD2 3.61Å; L850-L876 HydrophobicContact CB-CD2 4.37Å; L850-L876 HydrophobicContact CD1-CD2 3.48Å; L850-L876 VanDerWaalsContact CD1-CD2 3.48Å; L850-L876 HydrophobicContact CD1-CG 3.88Å; T872-L876 HydrophobicContact CG2-CD1 4.46Å; T872-L876 WeakPolarHBondContact O-CG 3.2Å; T872-L876 PolarHBondContact O-N 3.13Å; C873-L876 PolarHBondContact O-N 3.24Å; L876-R878 VanDerWaalsContact C-N 3.26Å; L876-R878 PolarHBondContact O-N 3.31Å; L876-M879 PolarHBondContact O-N 3.05Å; L876-M879 VanDerWaalsContact O-N 3.09Å; L876-V880 WeakPolarHBondContact O-CG2 3.49Å; L876-V880 PolarHBondContact O-N 3.07Å; L876-L906 HydrophobicContact CD1-CD1 3.91Å; L876-I936 HydrophobicContact CB-CD1 4.07Å; L876-I936 HydrophobicContact CB-CG1 4.36Å; L876-I936 HydrophobicContact CB-CG2 4.36Å; L876-I936 HydrophobicContact CD1-CG2 4.28Å |
| 877 | G | 89.6 | Confident | 79.6 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C873 E874 V875 | C873-G877 PolarHBondContact O-N 2.98Å; E874-G877 PolarHBondContact O-N 3.37Å; V875-G877 PolarHBondContact O-N 2.89Å |
| 878 | R | 87.3 | Confident | 77.1 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -80 | -25.8 | 175.1 | -59 | -64 | 170.6 | 78.1 | -3.9 | 112.9 | E786 V836 E874 V875 L876 V880 | E786-R878 IonicContact OE1-NH1 2.71Å; V836-R878 HydrophobicContact CB-CB 4.48Å; V836-R878 HydrophobicContact CG1-CB 3.78Å; E874-R878 WeakPolarHBondContact O-CG 3.39Å; E874-R878 PolarHBondContact O-N 3.39Å; V875-R878 PolarHBondContact O-N 3.36Å; L876-R878 VanDerWaalsContact C-N 3.26Å; L876-R878 PolarHBondContact O-N 3.31Å; R878-V880 VanDerWaalsContact C-N 3.3Å |
| 879 | M | 87 | Confident | 74.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.2 | -16.2 | 177.2 | -64.4 | -174.1 | 89.9 | 0 | 0 | 113.3 | V836 E842 I843 H846 L850 V875 L876 P881 | V836-M879 HydrophobicContact CB-CG 4.34Å; V836-M879 HydrophobicContact CG1-CB 4.13Å; V836-M879 HydrophobicContact CG1-CG 3.39Å; V836-M879 HydrophobicContact CG2-CG 4.01Å; E842-M879 WeakPolarHBondContact O-CE 3.41Å; I843-M879 HydrophobicContact CB-CB 4.09Å; I843-M879 HydrophobicContact CB-CE 4.46Å; I843-M879 HydrophobicContact CD1-CB 4.23Å; I843-M879 HydrophobicContact CG1-CB 4.14Å; H846-M879 HydrophobicContact CB-CE 4.07Å; L850-M879 HydrophobicContact CD1-SD 3.83Å; V875-M879 HydrophobicContact CG1-CG 4.34Å; V875-M879 HydrophobicContact CG1-SD 4.11Å; V875-M879 WeakPolarHBondContact O-CG 3.34Å; V875-M879 PolarHBondContact O-N 3.48Å; V875-M879 VanDerWaalsContact O-N 3.08Å; L876-M879 PolarHBondContact O-N 3.05Å; L876-M879 VanDerWaalsContact O-N 3.09Å; M879-P881 WeakPolarHBondContact O-CD 3.41Å |
| 880 | V | 81.5 | Confident | 71.8 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -60 | 123.5 | -179.5 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L876 R878 S882 D939 L940 | L876-V880 WeakPolarHBondContact O-CG2 3.49Å; L876-V880 PolarHBondContact O-N 3.07Å; R878-V880 VanDerWaalsContact C-N 3.3Å; V880-S882 PolarHBondContact O-N 3.39Å; V880-D939 HydrophobicContact CG2-CB 4.36Å; V880-L940 HydrophobicContact CG1-CD2 4.37Å; V880-L940 HydrophobicContact CG2-CD2 4.01Å; V880-L940 HydrophobicContact CG2-CG 4.38Å |
| 881 | P | 74.2 | Confident | 69.3 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 124.7 | 174 | -25.9 | 35.4 | 0 | 0 | 0 | 110.9 | M879 F898 | M879-P881 WeakPolarHBondContact O-CD 3.41Å; P881-F898 HydrophobicContact CG-CB 4.09Å; P881-F898 HydrophobicContact CG-CG 4.47Å |
| 882 | S | 64.5 | Low | 66.8 | Low | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 134.7 | 175.7 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | K841 V880 K884 | K841-S882 VanDerWaalsContact NZ-N 3.14Å; K841-S882 PolarHBondContact NZ-OG 3.47Å; V880-S882 PolarHBondContact O-N 3.39Å; S882-K884 PolarHBondContact O-N 3.28Å; S882-K884 PolarHBondContact OG-O 3.25Å |
| 883 | T | 57.4 | Low | 64.4 | Low | 78 Ų | 78 | 77.3 Ų | 77.3 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -70.6 | -17.4 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | S885 P897 | T883-S885 PolarHBondContact O-N 2.6Å; T883-P897 HydrophobicContact CG2-CG 4.46Å |
| 884 | K | 51.9 | Low | 62.4 | Low | 183 Ų | 183 | 80.1 Ų | 80.1 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | trans | -81.2 | 99.1 | 170.2 | -61.1 | -176.1 | -179.2 | -178.6 | 0 | 108.5 | S882 | S882-K884 PolarHBondContact O-N 3.28Å; S882-K884 PolarHBondContact OG-O 3.25Å | ||
| 885 | S | 44.3 | Very low | 61 | Low | 70 Ų | 70 | 85.7 Ų | 85.7 | 49% | 0.49 | 49% | 0.485 | S | S | . | . | trans | -83.8 | 149.1 | 162.8 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | T883 | T883-S885 PolarHBondContact O-N 2.6Š| ||
| 886 | D | 43.2 | Very low | 60 | Low | 143 Ų | 143 | 92.3 Ų | 92.3 | 77% | 0.765 | 51% | 0.514 | S | S | * | . | trans | -50.8 | 157.5 | 177.4 | -66.4 | -59.2 | 0 | 0 | 0 | 113.7 | S888 | D886-S888 PolarHBondContact O-N 2.9Å; D886-S888 PolarHBondContact O-OG 2.88Å | ||
| 887 | K | 43.1 | Very low | 59.3 | Low | 217 Ų | 217 | 93.8 Ų | 93.8 | 94% | 0.943 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -54.1 | 21.4 | -168.7 | -61.8 | 173.7 | 174.1 | 175.9 | 0 | 117.6 | G889 | K887-G889 PolarHBondContact O-N 3.37Š|
| 888 | S | 40.1 | Very low | 59.1 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | trans | -67.9 | 113.5 | 164.4 | 62.9 | 0 | 0 | 0 | 0 | 108.2 | D886 D890 | D886-S888 PolarHBondContact O-N 2.9Å; D886-S888 PolarHBondContact O-OG 2.88Å; S888-D890 PolarHBondContact O-N 3.4Å | ||
| 889 | G | 40.8 | Very low | 59.1 | Low | 85 Ų | 85 | 93.6 Ų | 93.6 | 88% | 0.876 | 52% | 0.516 | S | S | * | . | trans | -66.3 | 29.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K887 K891 | K887-G889 PolarHBondContact O-N 3.37Å; G889-K891 PolarHBondContact O-N 3.11Å | ||
| 890 | D | 37.7 | Very low | 59.4 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 60% | 0.599 | 52% | 0.52 | S | S | * | . | trans | -83.9 | 113.6 | 178.1 | -143.7 | -1.3 | 0 | 0 | 0 | 107.8 | S888 S892 S893 | S888-D890 PolarHBondContact O-N 3.4Å; D890-S892 PolarHBondContact O-N 3.1Å; D890-S893 PolarHBondContact O-N 3.02Å | ||
| 891 | K | 45.4 | Very low | 59.9 | Low | 197 Ų | 197 | 95.7 Ų | 95.7 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 2.5 | 179.7 | -65 | -175.7 | 176.9 | -173.9 | 0 | 113.9 | G889 S893 | G889-K891 PolarHBondContact O-N 3.11Å; K891-S893 PolarHBondContact O-N 3.44Å |
| 892 | S | 42.5 | Very low | 60.7 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.8 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | D890 L894 | D890-S892 PolarHBondContact O-N 3.1Å; S892-L894 PolarHBondContact O-N 3.12Å |
| 893 | S | 46 | Very low | 62 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | trans | -65.8 | 23.8 | -172.8 | 61.6 | 0 | 0 | 0 | 0 | 117.6 | D890 K891 | D890-S893 PolarHBondContact O-N 3.02Å; K891-S893 PolarHBondContact O-N 3.44Å | ||
| 894 | L | 53.7 | Low | 63.8 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | trans | -114.5 | 49.6 | -174.2 | -65.3 | 171.9 | 0 | 0 | 0 | 112.5 | S892 K896 R1057 L1060 I1061 | S892-L894 PolarHBondContact O-N 3.12Å; L894-K896 PolarHBondContact O-N 2.87Å; L894-R1057 HydrophobicContact CB-CG 3.83Å; L894-R1057 HydrophobicContact CD2-CB 4.39Å; L894-R1057 HydrophobicContact CD2-CG 3.81Å; L894-R1057 HydrophobicContact CG-CG 4.3Å; L894-L1060 HydrophobicContact CD1-CB 3.96Å; L894-L1060 HydrophobicContact CD1-CD1 4.34Å; L894-L1060 HydrophobicContact CD2-CD1 3.92Å; L894-I1061 HydrophobicContact CD1-CG1 4.32Å | ||
| 895 | L | 63.7 | Low | 65.8 | Low | 139 Ų | 139 | 92.2 Ų | 92.2 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 128.3 | 175.3 | -67.2 | 177.6 | 0 | 0 | 0 | 110 | ||
| 896 | K | 73.7 | Confident | 68.2 | Low | 139 Ų | 139 | 88.9 Ų | 88.9 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 132.1 | 172 | -175.5 | -175.1 | 176.3 | -169.9 | 0 | 108 | L894 F898 | L894-K896 PolarHBondContact O-N 2.87Å; K896-F898 PolarHBondContact O-N 3.45Å |
| 897 | P | 77.7 | Confident | 70.7 | Confident | 31 Ų | 31 | 82.1 Ų | 82.1 | 20% | 0.201 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 135.2 | 175.8 | -25.9 | 33.5 | 0 | 0 | 0 | 111 | T883 R899 E1054 | T883-P897 HydrophobicContact CG2-CG 4.46Å; P897-R899 HydrophobicContact CB-CG 4.32Å; P897-R899 PolarHBondContact O-N 2.72Å; P897-R899 VanDerWaalsContact O-N 3.13Å; P897-E1054 WeakPolarHBondContact CD-OE2 3.3Å |
| 898 | F | 84.7 | Confident | 73.2 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 26% | 0.263 | 42% | 0.424 | S | S | . | . | trans | -70.6 | 108.7 | 175.8 | -179 | -96.1 | 0 | 0 | 0 | 108.9 | I843 P881 K896 L900 L940 | I843-F898 HydrophobicContact CD1-CD1 4.45Å; I843-F898 HydrophobicContact CD1-CE1 4.03Å; I843-F898 HydrophobicContact CG2-CD1 4.44Å; I843-F898 HydrophobicContact CG2-CE1 3.97Å; I843-F898 HydrophobicContact CG2-CE2 4.49Å; I843-F898 HydrophobicContact CG2-CZ 3.99Å; P881-F898 HydrophobicContact CG-CB 4.09Å; P881-F898 HydrophobicContact CG-CG 4.47Å; K896-F898 PolarHBondContact O-N 3.45Å; F898-L900 HydrophobicContact CE1-CD2 3.99Å; F898-L900 HydrophobicContact CE1-CG 4.22Å; F898-L900 HydrophobicContact CZ-CD2 3.88Å; F898-L940 HydrophobicContact CD1-CD2 3.81Å; F898-L940 HydrophobicContact CE1-CD2 4.15Å | ||
| 899 | R | 89 | Confident | 75.7 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 22% | 0.223 | 41% | 0.406 | C | S | . | . | trans | -127.4 | 145.6 | -179.7 | -61.2 | -64.4 | -175.7 | 147.7 | -20.8 | 110.1 | P897 Y938 D939 L940 A941 E942 | P897-R899 HydrophobicContact CB-CG 4.32Å; P897-R899 PolarHBondContact O-N 2.72Å; P897-R899 VanDerWaalsContact O-N 3.13Å; R899-Y938 PolarHBondContact NH1-O 3.17Å; R899-Y938 PolarHBondContact NH2-O 2.89Å; R899-D939 WeakPolarHBondContact CD-O 3.35Å; R899-D939 PolarHBondContact NE-O 2.96Å; R899-D939 PolarHBondContact NH1-O 2.8Å; R899-D939 PolarHBondContact NH2-O 2.99Å; R899-L940 CarbonylContact C-O 3.59Å; R899-L940 VanDerWaalsContact CA-O 3.25Å; R899-L940 WeakPolarHBondContact CA-O 3.47Å; R899-A941 PolarHBondContact NH1-O 3.38Å; R899-E942 HydrophobicContact CB-CG 3.75Å | ||
| 900 | L | 91.5 | Very high | 78.4 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -107.3 | 145.9 | 178 | -61.1 | 175.7 | 0 | 0 | 0 | 109.6 | L847 F898 H904 L906 F907 L940 E942 | L847-L900 HydrophobicContact CD2-CD1 3.9Å; F898-L900 HydrophobicContact CE1-CD2 3.99Å; F898-L900 HydrophobicContact CE1-CG 4.22Å; F898-L900 HydrophobicContact CZ-CD2 3.88Å; L900-H904 HydrophobicContact CB-CB 4.27Å; L900-L906 HydrophobicContact CD1-CD2 4.27Å; L900-F907 HydrophobicContact CB-CE2 3.82Å; L900-F907 HydrophobicContact CB-CZ 4Å; L900-F907 HydrophobicContact CD1-CZ 4.38Å; L900-L940 HydrophobicContact CD1-CB 4.42Å; L900-L940 HydrophobicContact CD1-CD1 4.38Å; L900-L940 PolarHBondContact N-O 3.09Å; L900-E942 PolarHBondContact O-N 3.18Å; L900-E942 VanDerWaalsContact O-N 3.08Å |
| 901 | P | 93.4 | Very high | 81.1 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | trans | -54.1 | 143 | 174.7 | -28.1 | 36.5 | 0 | 0 | 0 | 112.6 | N903 H904 F907 | P901-N903 WeakPolarHBondContact CB-OD1 3.34Å; P901-N903 PolarHBondContact O-N 3.27Å; P901-H904 WeakPolarHBondContact O-CB 3.42Å; P901-H904 PolarHBondContact O-N 3.41Å; P901-F907 WeakPolarHBondContact O-CD2 3.45Å; P901-F907 WeakPolarHBondContact O-CE2 3.46Å | ||
| 902 | T | 90.4 | Very high | 83.4 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 23% | 0.233 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.4 | -178.1 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | S946 I947 | T902-S946 WeakPolarHBondContact CG2-OG 3.4Å; T902-I947 HydrophobicContact CG2-CD1 3.75Å; T902-I947 HydrophobicContact CG2-CG1 3.57Å |
| 903 | N | 91.3 | Very high | 85.9 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.1 | 176.5 | 66.1 | -20.7 | 0 | 0 | 0 | 114.1 | P901 | P901-N903 WeakPolarHBondContact CB-OD1 3.34Å; P901-N903 PolarHBondContact O-N 3.27Å |
| 904 | H | 95.1 | Very high | 88.3 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | trans | -58.6 | 147.3 | 179.3 | -168.6 | -92.7 | 0 | 0 | 0 | 112 | L900 P901 L906 F907 T908 | L900-H904 HydrophobicContact CB-CB 4.27Å; P901-H904 WeakPolarHBondContact O-CB 3.42Å; P901-H904 PolarHBondContact O-N 3.41Å; H904-L906 VanDerWaalsContact ND1-CB 3.32Å; H904-L906 WeakPolarHBondContact ND1-CB 3.46Å; H904-L906 PolarHBondContact ND1-N 3.04Å; H904-L906 PolarHBondContact O-N 3.31Å; H904-F907 HydrophobicContact CB-CD2 3.96Å; H904-F907 HydrophobicContact CB-CE2 4.07Å; H904-F907 PolarHBondContact O-N 3.25Å; H904-F907 VanDerWaalsContact O-N 3.14Å; H904-T908 PolarHBondContact O-N 2.66Å; H904-T908 PolarHBondContact O-OG1 3.18Å | ||
| 905 | V | 94 | Very high | 90.2 | Very high | 95 Ų | 95 | 51 Ų | 51 | 58% | 0.576 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.9 | -38.1 | -176.1 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | I851 F907 T908 R909 | I851-V905 HydrophobicContact CG2-CG1 4.07Å; V905-F907 PolarHBondContact O-N 3.22Å; V905-T908 PolarHBondContact O-N 3.02Å; V905-R909 WeakPolarHBondContact O-CB 3.36Å; V905-R909 PolarHBondContact O-N 3.23Å |
| 906 | L | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -49.5 | -54.8 | 174.8 | 179.3 | 63.9 | 0 | 0 | 0 | 112.4 | L847 I851 L855 L876 L900 H904 R909 L910 I936 L940 | L847-L906 HydrophobicContact CD1-CD2 4.31Å; I851-L906 HydrophobicContact CD1-CB 3.91Å; I851-L906 HydrophobicContact CD1-CD1 4.35Å; I851-L906 HydrophobicContact CG1-CB 4.32Å; I851-L906 HydrophobicContact CG1-CD1 3.9Å; L855-L906 HydrophobicContact CD1-CD1 3.56Å; L876-L906 HydrophobicContact CD1-CD1 3.91Å; L900-L906 HydrophobicContact CD1-CD2 4.27Å; H904-L906 VanDerWaalsContact ND1-CB 3.32Å; H904-L906 WeakPolarHBondContact ND1-CB 3.46Å; H904-L906 PolarHBondContact ND1-N 3.04Å; H904-L906 PolarHBondContact O-N 3.31Å; L906-R909 PolarHBondContact O-N 3.02Å; L906-L910 HydrophobicContact CD1-CD1 4.24Å; L906-L910 HydrophobicContact CD1-CG 4.43Å; L906-L910 HydrophobicContact CG-CD1 4.3Å; L906-L910 WeakPolarHBondContact O-CG 3.45Å; L906-L910 PolarHBondContact O-N 3.02Å; L906-I936 HydrophobicContact CD2-CG2 4.18Å; L906-L940 HydrophobicContact CD2-CD1 3.79Å |
| 907 | F | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.5 | -34.4 | -175.5 | -51.9 | -47.3 | 0 | 0 | 0 | 112.1 | L900 P901 H904 V905 R909 K911 I937 L940 A941 I947 | L900-F907 HydrophobicContact CB-CE2 3.82Å; L900-F907 HydrophobicContact CB-CZ 4Å; L900-F907 HydrophobicContact CD1-CZ 4.38Å; P901-F907 WeakPolarHBondContact O-CD2 3.45Å; P901-F907 WeakPolarHBondContact O-CE2 3.46Å; H904-F907 HydrophobicContact CB-CD2 3.96Å; H904-F907 HydrophobicContact CB-CE2 4.07Å; H904-F907 PolarHBondContact O-N 3.25Å; H904-F907 VanDerWaalsContact O-N 3.14Å; V905-F907 PolarHBondContact O-N 3.22Å; F907-R909 VanDerWaalsContact C-N 3.25Å; F907-R909 PolarHBondContact O-N 3.42Å; F907-K911 WeakPolarHBondContact O-CB 3.32Å; F907-K911 WeakPolarHBondContact O-CE 3.21Å; F907-K911 VanDerWaalsContact O-CG 3.31Å; F907-K911 WeakPolarHBondContact O-CG 3.17Å; F907-K911 PolarHBondContact O-N 2.97Å; F907-I937 HydrophobicContact CD1-CB 4.46Å; F907-I937 HydrophobicContact CD1-CG1 3.94Å; F907-I937 HydrophobicContact CD1-CG2 4.43Å; F907-I937 HydrophobicContact CE1-CG1 4.47Å; F907-L940 HydrophobicContact CE1-CB 4.04Å; F907-L940 HydrophobicContact CZ-CB 3.79Å; F907-A941 HydrophobicContact CD1-CB 4.47Å; F907-A941 HydrophobicContact CD2-CB 4.24Å; F907-A941 HydrophobicContact CE1-CB 3.98Å; F907-A941 HydrophobicContact CE2-CB 3.73Å; F907-A941 VanDerWaalsContact CZ-CA 3.41Å; F907-A941 HydrophobicContact CZ-CB 3.6Å; F907-I947 HydrophobicContact CB-CD1 3.92Å; F907-I947 HydrophobicContact CD1-CD1 4.49Å; F907-I947 HydrophobicContact CD2-CD1 4.15Å; F907-I947 HydrophobicContact CG-CD1 3.93Å |
| 908 | T | 94.2 | Very high | 93.1 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 171.5 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | H904 V905 T912 | H904-T908 PolarHBondContact O-N 2.66Å; H904-T908 PolarHBondContact O-OG1 3.18Å; V905-T908 PolarHBondContact O-N 3.02Å; T908-T912 PolarHBondContact O-N 3.06Å; T908-T912 VanDerWaalsContact O-N 3.11Å; T908-T912 PolarHBondContact O-OG1 3.46Å |
| 909 | R | 93.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 18% | 0.177 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.5 | -48.8 | 179.2 | -173.2 | 65.3 | -171.9 | 148.9 | 17.4 | 112.6 | L855 V905 L906 F907 K911 T912 I913 | L855-R909 HydrophobicContact CB-CG 3.81Å; L855-R909 HydrophobicContact CD1-CG 4.43Å; L855-R909 VanDerWaalsContact O-CZ 3.23Å; L855-R909 PolarHBondContact O-NE 3.03Å; L855-R909 PolarHBondContact O-NH2 3.03Å; V905-R909 WeakPolarHBondContact O-CB 3.36Å; V905-R909 PolarHBondContact O-N 3.23Å; L906-R909 PolarHBondContact O-N 3.02Å; F907-R909 VanDerWaalsContact C-N 3.25Å; F907-R909 PolarHBondContact O-N 3.42Å; R909-K911 VanDerWaalsContact C-N 3.32Å; R909-K911 PolarHBondContact O-N 3.27Å; R909-T912 PolarHBondContact O-N 3.34Å; R909-T912 VanDerWaalsContact O-N 3.14Å; R909-I913 HydrophobicContact CG-CD1 3.93Å; R909-I913 WeakPolarHBondContact O-CG1 3.4Å; R909-I913 PolarHBondContact O-N 2.99Å |
| 910 | L | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.1 | -68.7 | 178.1 | 0 | 0 | 0 | 111.9 | L855 L906 T912 I913 L914 A933 I936 I937 | L855-L910 HydrophobicContact CD1-CD2 4.04Å; L855-L910 HydrophobicContact CD1-CG 4.42Å; L855-L910 HydrophobicContact CD2-CD2 4.22Å; L906-L910 HydrophobicContact CD1-CD1 4.24Å; L906-L910 HydrophobicContact CD1-CG 4.43Å; L906-L910 HydrophobicContact CG-CD1 4.3Å; L906-L910 WeakPolarHBondContact O-CG 3.45Å; L906-L910 PolarHBondContact O-N 3.02Å; L910-T912 PolarHBondContact O-N 3.3Å; L910-I913 PolarHBondContact O-N 3.27Å; L910-L914 WeakPolarHBondContact O-CB 3.32Å; L910-L914 WeakPolarHBondContact O-CD1 3.19Å; L910-L914 VanDerWaalsContact O-CG 3.24Å; L910-L914 WeakPolarHBondContact O-CG 3.04Å; L910-L914 PolarHBondContact O-N 3.34Å; L910-A933 HydrophobicContact CD2-CB 4.1Å; L910-I936 HydrophobicContact CD1-CG2 4.45Å; L910-I937 HydrophobicContact CB-CD1 4.15Å; L910-I937 HydrophobicContact CD1-CD1 4.23Å; L910-I937 HydrophobicContact CD1-CG1 3.86Å |
| 911 | K | 95.5 | Very high | 93 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | 171.8 | -79.9 | -175.1 | -69.4 | -176.3 | 0 | 111.6 | F907 R909 I913 L914 I915 I947 Y950 | F907-K911 WeakPolarHBondContact O-CB 3.32Å; F907-K911 WeakPolarHBondContact O-CE 3.21Å; F907-K911 VanDerWaalsContact O-CG 3.31Å; F907-K911 WeakPolarHBondContact O-CG 3.17Å; F907-K911 PolarHBondContact O-N 2.97Å; R909-K911 VanDerWaalsContact C-N 3.32Å; R909-K911 PolarHBondContact O-N 3.27Å; K911-I913 VanDerWaalsContact C-N 3.33Å; K911-I913 PolarHBondContact O-N 2.92Å; K911-L914 PolarHBondContact O-N 3.49Å; K911-I915 WeakPolarHBondContact O-CB 3.26Å; K911-I915 WeakPolarHBondContact O-CD1 3.35Å; K911-I915 VanDerWaalsContact O-CG1 3.25Å; K911-I915 WeakPolarHBondContact O-CG1 3.35Å; K911-I915 PolarHBondContact O-N 3.22Å; K911-I947 HydrophobicContact CD-CG2 3.86Å; K911-I947 HydrophobicContact CG-CG2 3.76Å; K911-Y950 HydrophobicContact CD-CD1 3.67Å; K911-Y950 HydrophobicContact CD-CE1 4.05Å; K911-Y950 HydrophobicContact CG-CD1 4.5Å |
| 912 | T | 93.6 | Very high | 92.5 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 43% | 0.429 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | T908 R909 L910 S916 | T908-T912 PolarHBondContact O-N 3.06Å; T908-T912 VanDerWaalsContact O-N 3.11Å; T908-T912 PolarHBondContact O-OG1 3.46Å; R909-T912 PolarHBondContact O-N 3.34Å; R909-T912 VanDerWaalsContact O-N 3.14Å; L910-T912 PolarHBondContact O-N 3.3Å; T912-S916 WeakPolarHBondContact O-CB 3.35Å; T912-S916 PolarHBondContact O-N 3.22Å; T912-S916 PolarHBondContact O-OG 2.79Å |
| 913 | I | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 177.9 | -66.5 | 165.8 | 0 | 0 | 0 | 110.3 | L855 I864 V869 R909 L910 K911 I915 S916 T917 M929 | L855-I913 HydrophobicContact CB-CD1 4.15Å; I864-I913 HydrophobicContact CD1-CG1 4.24Å; I864-I913 HydrophobicContact CG2-CG1 4.48Å; I864-I913 HydrophobicContact CG2-CG2 4.13Å; V869-I913 HydrophobicContact CG1-CD1 4.38Å; V869-I913 HydrophobicContact CG1-CG2 4.46Å; V869-I913 HydrophobicContact CG2-CD1 4.09Å; R909-I913 HydrophobicContact CG-CD1 3.93Å; R909-I913 WeakPolarHBondContact O-CG1 3.4Å; R909-I913 PolarHBondContact O-N 2.99Å; L910-I913 PolarHBondContact O-N 3.27Å; K911-I913 VanDerWaalsContact C-N 3.33Å; K911-I913 PolarHBondContact O-N 2.92Å; I913-I915 PolarHBondContact O-N 2.9Å; I913-S916 PolarHBondContact O-N 3.39Å; I913-S916 PolarHBondContact O-OG 3.22Å; I913-T917 HydrophobicContact CG2-CG2 4.31Å; I913-T917 WeakPolarHBondContact O-CB 3.29Å; I913-T917 VanDerWaalsContact O-CG2 3.25Å; I913-T917 WeakPolarHBondContact O-CG2 3.25Å; I913-T917 PolarHBondContact O-N 2.92Å; I913-T917 PolarHBondContact O-OG1 3.13Å; I913-M929 HydrophobicContact CG2-CE 4.15Å; I913-M929 HydrophobicContact CG2-SD 4.34Å |
| 914 | L | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | -178.3 | -69.6 | 164.9 | 0 | 0 | 0 | 111.7 | L910 K911 V918 W926 M929 M930 A933 I937 L951 | L910-L914 WeakPolarHBondContact O-CB 3.32Å; L910-L914 WeakPolarHBondContact O-CD1 3.19Å; L910-L914 VanDerWaalsContact O-CG 3.24Å; L910-L914 WeakPolarHBondContact O-CG 3.04Å; L910-L914 PolarHBondContact O-N 3.34Å; K911-L914 PolarHBondContact O-N 3.49Å; L914-V918 WeakPolarHBondContact O-CB 3.48Å; L914-V918 PolarHBondContact O-N 3.02Å; L914-W926 HydrophobicContact CD2-CZ2 4.47Å; L914-M929 HydrophobicContact CD2-CE 3.91Å; L914-M929 HydrophobicContact CD2-SD 4.01Å; L914-M930 HydrophobicContact CD2-CB 3.8Å; L914-M930 HydrophobicContact CD2-CG 3.87Å; L914-A933 HydrophobicContact CD1-CB 4.28Å; L914-A933 HydrophobicContact CD2-CB 4.36Å; L914-I937 HydrophobicContact CD1-CD1 4.48Å; L914-L951 HydrophobicContact CB-CD1 3.79Å; L914-L951 HydrophobicContact CD1-CD1 4.45Å; L914-L951 HydrophobicContact CD1-CD2 3.78Å |
| 915 | I | 94.3 | Very high | 92 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.4 | -39.1 | -178.2 | -64 | 166.1 | 0 | 0 | 0 | 112.2 | K911 I913 V918 Y950 L951 | K911-I915 WeakPolarHBondContact O-CB 3.26Å; K911-I915 WeakPolarHBondContact O-CD1 3.35Å; K911-I915 VanDerWaalsContact O-CG1 3.25Å; K911-I915 WeakPolarHBondContact O-CG1 3.35Å; K911-I915 PolarHBondContact O-N 3.22Å; I913-I915 PolarHBondContact O-N 2.9Å; I915-V918 WeakPolarHBondContact O-CG1 3.44Å; I915-Y950 HydrophobicContact CD1-CD1 4.19Å; I915-Y950 HydrophobicContact CD1-CE1 3.61Å; I915-L951 HydrophobicContact CD1-CD1 4.16Å; I915-L951 HydrophobicContact CG1-CD1 3.54Å |
| 916 | S | 90.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.3 | -30.3 | -178.4 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | T912 I913 | T912-S916 WeakPolarHBondContact O-CB 3.35Å; T912-S916 PolarHBondContact O-N 3.22Å; T912-S916 PolarHBondContact O-OG 2.79Å; I913-S916 PolarHBondContact O-N 3.39Å; I913-S916 PolarHBondContact O-OG 3.22Å |
| 917 | T | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -93.4 | -20.2 | -174.6 | 60 | 0 | 0 | 0 | 0 | 113.6 | I864 L866 I913 S919 Q920 W926 | I864-T917 HydrophobicContact CB-CG2 4.33Å; I864-T917 HydrophobicContact CD1-CG2 3.87Å; L866-T917 HydrophobicContact CD2-CG2 3.87Å; I913-T917 HydrophobicContact CG2-CG2 4.31Å; I913-T917 WeakPolarHBondContact O-CB 3.29Å; I913-T917 VanDerWaalsContact O-CG2 3.25Å; I913-T917 WeakPolarHBondContact O-CG2 3.25Å; I913-T917 PolarHBondContact O-N 2.92Å; I913-T917 PolarHBondContact O-OG1 3.13Å; T917-S919 VanDerWaalsContact C-N 3.27Å; T917-S919 PolarHBondContact O-N 3.44Å; T917-Q920 WeakPolarHBondContact O-CB 3.36Å; T917-Q920 PolarHBondContact O-N 3Å; T917-W926 VanDerWaalsContact OG1-CD1 3.3Å; T917-W926 PolarHBondContact OG1-NE1 3.12Å |
| 918 | V | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.1 | -175.6 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | L914 I915 W926 T955 L1028 R1031 | L914-V918 WeakPolarHBondContact O-CB 3.48Å; L914-V918 PolarHBondContact O-N 3.02Å; I915-V918 WeakPolarHBondContact O-CG1 3.44Å; V918-W926 HydrophobicContact CB-CH2 4.47Å; V918-W926 HydrophobicContact CB-CZ2 3.62Å; V918-W926 HydrophobicContact CG2-CH2 3.79Å; V918-W926 HydrophobicContact CG2-CZ2 3.42Å; V918-W926 VanDerWaalsContact CG2-CZ2 3.42Å; V918-T955 HydrophobicContact CB-CG2 4.49Å; V918-T955 HydrophobicContact CG1-CG2 4.12Å; V918-T955 HydrophobicContact CG2-CG2 3.82Å; V918-L1028 HydrophobicContact CG1-CD1 4.46Å; V918-L1028 HydrophobicContact CG2-CD1 3.93Å; V918-R1031 HydrophobicContact CG2-CB 4.16Å; V918-R1031 PolarHBondContact O-NH1 3.45Å |
| 919 | S | 89.6 | Confident | 92.3 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.6 | 180 | -56.7 | 0 | 0 | 0 | 0 | 114.2 | T917 | T917-S919 VanDerWaalsContact C-N 3.27Å; T917-S919 PolarHBondContact O-N 3.44Å |
| 920 | Q | 89.1 | Confident | 92.5 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | trans | -78.5 | 126.6 | -178.5 | -66.1 | -169.7 | -7.2 | 0 | 0 | 111.4 | T917 Q923 R1031 | T917-Q920 WeakPolarHBondContact O-CB 3.36Å; T917-Q920 PolarHBondContact O-N 3Å; Q920-Q923 HydrophobicContact CB-CG 3.92Å; Q920-Q923 VanDerWaalsContact OE1-NE2 3.15Å; Q920-R1031 PolarHBondContact O-NH1 2.94Å; Q920-R1031 PolarHBondContact O-NH2 2.72Å | ||
| 921 | P | 84.3 | Confident | 92.5 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 162.7 | 177.9 | 29.2 | -34.5 | 0 | 0 | 0 | 111.6 | Q923 F1027 | P921-Q923 PolarHBondContact O-N 2.98Å; P921-F1027 HydrophobicContact CB-CE1 4.27Å; P921-F1027 HydrophobicContact CB-CZ 4.21Å |
| 922 | N | 82.8 | Confident | 92.6 | Very high | 153 Ų | 153 | 45.7 Ų | 45.7 | 82% | 0.818 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 13.3 | 173.5 | -57.7 | -11.8 | 0 | 0 | 0 | 117.3 | V924 | N922-V924 PolarHBondContact O-N 3.37Š|
| 923 | Q | 87.1 | Confident | 92.8 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | trans | -83.3 | 85.3 | 172.4 | -58.8 | -68.7 | -3.6 | 0 | 0 | 111.7 | L866 Q920 P921 L925 W926 R1031 | L866-Q923 HydrophobicContact CD1-CB 3.81Å; L866-Q923 HydrophobicContact CD1-CG 4.05Å; Q920-Q923 HydrophobicContact CB-CG 3.92Å; Q920-Q923 VanDerWaalsContact OE1-NE2 3.15Å; P921-Q923 PolarHBondContact O-N 2.98Å; Q923-L925 VanDerWaalsContact C-N 3.34Å; Q923-W926 HydrophobicContact CB-CB 4.05Å; Q923-W926 WeakPolarHBondContact O-CB 3.29Å; Q923-W926 PolarHBondContact O-N 3.23Å; Q923-R1031 PolarHBondContact O-NH2 3.38Å | ||
| 924 | V | 87.8 | Confident | 92.9 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 80% | 0.8 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -35.1 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | N922 W926 | N922-V924 PolarHBondContact O-N 3.37Å; V924-W926 PolarHBondContact O-N 3.36Å |
| 925 | L | 91.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1 | 179.7 | -63.9 | 177.9 | 0 | 0 | 0 | 114.5 | L866 E867 Q923 V927 P928 M929 | L866-L925 HydrophobicContact CB-CB 4.29Å; E867-L925 HydrophobicContact CB-CD1 3.87Å; E867-L925 HydrophobicContact CG-CD1 4.42Å; Q923-L925 VanDerWaalsContact C-N 3.34Å; L925-V927 PolarHBondContact O-N 3.06Å; L925-P928 WeakPolarHBondContact O-CD 3.4Å; L925-M929 VanDerWaalsContact O-CB 3.25Å; L925-M929 WeakPolarHBondContact O-CB 3.36Å; L925-M929 PolarHBondContact O-N 2.87Å |
| 926 | W | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | -176.2 | -171.4 | 91.4 | 0 | 0 | 0 | 112.6 | L866 L914 T917 V918 Q923 V924 M929 M930 R1031 L1035 | L866-W926 HydrophobicContact CD1-CB 4.17Å; L914-W926 HydrophobicContact CD2-CZ2 4.47Å; T917-W926 VanDerWaalsContact OG1-CD1 3.3Å; T917-W926 PolarHBondContact OG1-NE1 3.12Å; V918-W926 HydrophobicContact CB-CH2 4.47Å; V918-W926 HydrophobicContact CB-CZ2 3.62Å; V918-W926 HydrophobicContact CG2-CH2 3.79Å; V918-W926 HydrophobicContact CG2-CZ2 3.42Å; V918-W926 VanDerWaalsContact CG2-CZ2 3.42Å; Q923-W926 HydrophobicContact CB-CB 4.05Å; Q923-W926 WeakPolarHBondContact O-CB 3.29Å; Q923-W926 PolarHBondContact O-N 3.23Å; V924-W926 PolarHBondContact O-N 3.36Å; W926-M929 PolarHBondContact O-N 3.46Å; W926-M930 HydrophobicContact CD2-CB 4.46Å; W926-M930 HydrophobicContact CE3-CB 4.11Å; W926-M930 HydrophobicContact CH2-CB 4.17Å; W926-M930 HydrophobicContact CH2-CG 3.87Å; W926-M930 HydrophobicContact CZ2-CB 4.46Å; W926-M930 HydrophobicContact CZ2-CG 4.42Å; W926-M930 HydrophobicContact CZ3-CB 3.97Å; W926-M930 HydrophobicContact CZ3-CE 4.13Å; W926-M930 HydrophobicContact CZ3-CG 3.95Å; W926-M930 WeakPolarHBondContact O-CB 3.34Å; W926-M930 PolarHBondContact O-N 2.84Å; W926-R1031 HydrophobicContact CD2-CB 4.49Å; W926-R1031 HydrophobicContact CD2-CG 4.08Å; W926-R1031 HydrophobicContact CE3-CB 3.77Å; W926-R1031 HydrophobicContact CE3-CG 3.47Å; W926-R1031 VanDerWaalsContact CE3-CG 3.47Å; W926-R1031 HydrophobicContact CH2-CB 4.11Å; W926-R1031 HydrophobicContact CZ3-CB 3.55Å; W926-R1031 HydrophobicContact CZ3-CG 3.83Å; W926-L1035 HydrophobicContact CH2-CB 4.47Å |
| 927 | V | 95.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.3 | -52.5 | 179.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | L925 M929 M930 E931 R1031 A1034 | L925-V927 PolarHBondContact O-N 3.06Å; V927-M929 VanDerWaalsContact C-N 3.32Å; V927-M929 PolarHBondContact O-N 3.39Å; V927-M930 HydrophobicContact CG1-CE 4.26Å; V927-M930 WeakPolarHBondContact O-CB 3.42Å; V927-M930 PolarHBondContact O-N 2.9Å; V927-M930 VanDerWaalsContact O-N 3.14Å; V927-E931 HydrophobicContact CG1-CG 4.42Å; V927-E931 WeakPolarHBondContact O-CG 3.45Å; V927-E931 PolarHBondContact O-N 3.21Å; V927-R1031 HydrophobicContact CG2-CG 4.4Å; V927-A1034 HydrophobicContact CG2-CB 4.35Å |
| 928 | P | 96.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 31% | 0.312 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.6 | -42 | 174.1 | -27.2 | 33.6 | 0 | 0 | 0 | 114 | K870 L925 E931 Q932 | K870-P928 HydrophobicContact CD-CB 4.4Å; L925-P928 WeakPolarHBondContact O-CD 3.4Å; P928-E931 PolarHBondContact O-N 2.92Å; P928-Q932 WeakPolarHBondContact O-CG 3.46Å; P928-Q932 PolarHBondContact O-N 3.35Å |
| 929 | M | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.2 | 179.4 | -77.3 | -66.4 | 0 | 0 | 111.2 | L866 V869 K870 I913 L914 L925 W926 V927 E931 Q932 A933 | L866-M929 HydrophobicContact CB-CB 4.45Å; L866-M929 HydrophobicContact CB-CG 4.42Å; L866-M929 HydrophobicContact CD2-CE 4.12Å; V869-M929 HydrophobicContact CB-CG 4.1Å; V869-M929 HydrophobicContact CG1-CG 3.71Å; V869-M929 HydrophobicContact CG1-SD 3.84Å; K870-M929 HydrophobicContact CB-CB 4.27Å; K870-M929 HydrophobicContact CB-CG 4.5Å; I913-M929 HydrophobicContact CG2-CE 4.15Å; I913-M929 HydrophobicContact CG2-SD 4.34Å; L914-M929 HydrophobicContact CD2-CE 3.91Å; L914-M929 HydrophobicContact CD2-SD 4.01Å; L925-M929 VanDerWaalsContact O-CB 3.25Å; L925-M929 WeakPolarHBondContact O-CB 3.36Å; L925-M929 PolarHBondContact O-N 2.87Å; W926-M929 PolarHBondContact O-N 3.46Å; V927-M929 VanDerWaalsContact C-N 3.32Å; V927-M929 PolarHBondContact O-N 3.39Å; M929-E931 VanDerWaalsContact C-N 3.32Å; M929-E931 PolarHBondContact O-N 3.32Å; M929-Q932 PolarHBondContact O-N 3.12Å; M929-A933 WeakPolarHBondContact O-CB 3.2Å; M929-A933 PolarHBondContact O-N 2.91Å; M929-A933 HydrophobicContact SD-CB 4.24Å |
| 930 | M | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 177.6 | 174.5 | -82 | -67.2 | 0 | 0 | 111.6 | L914 W926 V927 Q932 A933 I934 A1034 L1035 H1038 | L914-M930 HydrophobicContact CD2-CB 3.8Å; L914-M930 HydrophobicContact CD2-CG 3.87Å; W926-M930 HydrophobicContact CD2-CB 4.46Å; W926-M930 HydrophobicContact CE3-CB 4.11Å; W926-M930 HydrophobicContact CH2-CB 4.17Å; W926-M930 HydrophobicContact CH2-CG 3.87Å; W926-M930 HydrophobicContact CZ2-CB 4.46Å; W926-M930 HydrophobicContact CZ2-CG 4.42Å; W926-M930 HydrophobicContact CZ3-CB 3.97Å; W926-M930 HydrophobicContact CZ3-CE 4.13Å; W926-M930 HydrophobicContact CZ3-CG 3.95Å; W926-M930 WeakPolarHBondContact O-CB 3.34Å; W926-M930 PolarHBondContact O-N 2.84Å; V927-M930 HydrophobicContact CG1-CE 4.26Å; V927-M930 WeakPolarHBondContact O-CB 3.42Å; V927-M930 PolarHBondContact O-N 2.9Å; V927-M930 VanDerWaalsContact O-N 3.14Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 2.97Å; M930-A933 PolarHBondContact O-N 3.38Å; M930-I934 HydrophobicContact CG-CD1 3.88Å; M930-I934 HydrophobicContact CG-CG1 4.35Å; M930-I934 WeakPolarHBondContact O-CB 3.26Å; M930-I934 WeakPolarHBondContact O-CG1 3.37Å; M930-I934 PolarHBondContact O-N 3.14Å; M930-I934 HydrophobicContact SD-CD1 3.42Å; M930-I934 WeakPolarHBondContact SD-CD1 3.39Å; M930-I934 HydrophobicContact SD-CG1 4.18Å; M930-A1034 HydrophobicContact CE-CB 4.25Å; M930-L1035 HydrophobicContact CG-CD1 3.97Å; M930-L1035 HydrophobicContact SD-CD1 4Å; M930-H1038 HydrophobicContact CE-CB 4.27Å; M930-H1038 HydrophobicContact SD-CB 4.16Å |
| 931 | E | 97.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | -178.7 | -71.5 | -173 | 150.2 | 0 | 0 | 112.5 | V927 P928 M929 S935 H1038 K1169 | V927-E931 HydrophobicContact CG1-CG 4.42Å; V927-E931 WeakPolarHBondContact O-CG 3.45Å; V927-E931 PolarHBondContact O-N 3.21Å; P928-E931 PolarHBondContact O-N 2.92Å; M929-E931 VanDerWaalsContact C-N 3.32Å; M929-E931 PolarHBondContact O-N 3.32Å; E931-S935 PolarHBondContact O-N 3.4Å; E931-S935 VanDerWaalsContact O-N 3.16Å; E931-H1038 VanDerWaalsContact CA-NE2 3.32Å; E931-H1038 WeakPolarHBondContact CA-NE2 3.24Å; E931-H1038 PolarHBondContact O-NE2 2.86Å; E931-H1038 IonicContact OE1-ND1 3.57Å; E931-K1169 IonicContact OE1-NZ 2.88Å |
| 932 | Q | 96.4 | Very high | 94 | Very high | 63 Ų | 63 | 39 Ų | 39 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.4 | -46.9 | 175.4 | -61 | -56.1 | -19.1 | 0 | 0 | 111.7 | K870 C873 E874 P928 M929 M930 I934 S935 I936 | K870-Q932 HydrophobicContact CG-CG 4.06Å; C873-Q932 HydrophobicContact CB-CB 3.82Å; E874-Q932 HydrophobicContact CG-CG 4.01Å; P928-Q932 WeakPolarHBondContact O-CG 3.46Å; P928-Q932 PolarHBondContact O-N 3.35Å; M929-Q932 PolarHBondContact O-N 3.12Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 2.97Å; Q932-I934 VanDerWaalsContact C-N 3.33Å; Q932-I934 PolarHBondContact O-N 3.28Å; Q932-S935 WeakPolarHBondContact O-CB 3.27Å; Q932-S935 PolarHBondContact O-N 2.91Å; Q932-S935 VanDerWaalsContact O-N 3.11Å; Q932-I936 WeakPolarHBondContact O-CG1 3.49Å; Q932-I936 PolarHBondContact O-N 3.28Å |
| 933 | A | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L910 L914 M929 M930 I936 I937 | L910-A933 HydrophobicContact CD2-CB 4.1Å; L914-A933 HydrophobicContact CD1-CB 4.28Å; L914-A933 HydrophobicContact CD2-CB 4.36Å; M929-A933 WeakPolarHBondContact O-CB 3.2Å; M929-A933 PolarHBondContact O-N 2.91Å; M929-A933 HydrophobicContact SD-CB 4.24Å; M930-A933 PolarHBondContact O-N 3.38Å; A933-I936 PolarHBondContact O-N 3.17Å; A933-I937 WeakPolarHBondContact O-CG1 3.46Å; A933-I937 PolarHBondContact O-N 3.5Å; A933-I937 VanDerWaalsContact O-N 3.09Å |
| 934 | I | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.5 | -69.5 | -173.9 | 0 | 0 | 0 | 111 | M930 Q932 I936 I937 Y938 M948 L951 L1035 I1039 K1042 | M930-I934 HydrophobicContact CG-CD1 3.88Å; M930-I934 HydrophobicContact CG-CG1 4.35Å; M930-I934 WeakPolarHBondContact O-CB 3.26Å; M930-I934 WeakPolarHBondContact O-CG1 3.37Å; M930-I934 PolarHBondContact O-N 3.14Å; M930-I934 HydrophobicContact SD-CD1 3.42Å; M930-I934 WeakPolarHBondContact SD-CD1 3.39Å; M930-I934 HydrophobicContact SD-CG1 4.18Å; Q932-I934 VanDerWaalsContact C-N 3.33Å; Q932-I934 PolarHBondContact O-N 3.28Å; I934-I936 VanDerWaalsContact C-N 3.31Å; I934-I936 PolarHBondContact O-N 3.44Å; I934-I937 PolarHBondContact O-N 3.3Å; I934-Y938 HydrophobicContact CG2-CD2 3.61Å; I934-Y938 HydrophobicContact CG2-CE2 3.71Å; I934-Y938 WeakPolarHBondContact O-CD2 3.33Å; I934-Y938 PolarHBondContact O-N 3.35Å; I934-M948 HydrophobicContact CD1-SD 4.17Å; I934-M948 HydrophobicContact CG1-CE 4.43Å; I934-M948 HydrophobicContact CG1-SD 4.23Å; I934-M948 HydrophobicContact CG2-CE 4.49Å; I934-M948 HydrophobicContact CG2-SD 4.16Å; I934-L951 HydrophobicContact CD1-CD2 4.37Å; I934-L1035 HydrophobicContact CD1-CD1 3.43Å; I934-L1035 VanDerWaalsContact CD1-CD1 3.43Å; I934-I1039 HydrophobicContact CD1-CD1 4.26Å; I934-I1039 HydrophobicContact CD1-CG1 3.74Å; I934-K1042 HydrophobicContact CG2-CB 4.31Å; I934-K1042 HydrophobicContact CG2-CG 4.11Å |
| 935 | S | 95.9 | Very high | 95 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.4 | -47.2 | 174.5 | -155.3 | 0 | 0 | 0 | 0 | 111.3 | E931 Q932 I937 Y938 D939 K1042 | E931-S935 PolarHBondContact O-N 3.4Å; E931-S935 VanDerWaalsContact O-N 3.16Å; Q932-S935 WeakPolarHBondContact O-CB 3.27Å; Q932-S935 PolarHBondContact O-N 2.91Å; Q932-S935 VanDerWaalsContact O-N 3.11Å; S935-I937 VanDerWaalsContact C-N 3.33Å; S935-I937 PolarHBondContact O-N 2.96Å; S935-Y938 PolarHBondContact O-N 3.27Å; S935-Y938 VanDerWaalsContact O-N 3.13Å; S935-D939 WeakPolarHBondContact O-CB 3.5Å; S935-D939 PolarHBondContact O-N 3.04Å; S935-D939 VanDerWaalsContact O-OD2 3.1Å; S935-D939 PolarHBondContact OG-OD2 3.26Å; S935-K1042 PolarHBondContact OG-NZ 3.47Å |
| 936 | I | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 178.4 | -60.9 | -49 | 0 | 0 | 0 | 112.8 | C873 L876 L906 L910 Q932 A933 I934 D939 L940 | C873-I936 HydrophobicContact CB-CG1 3.82Å; C873-I936 WeakPolarHBondContact O-CD1 3.43Å; C873-I936 WeakPolarHBondContact O-CG1 3.48Å; L876-I936 HydrophobicContact CB-CD1 4.07Å; L876-I936 HydrophobicContact CB-CG1 4.36Å; L876-I936 HydrophobicContact CB-CG2 4.36Å; L876-I936 HydrophobicContact CD1-CG2 4.28Å; L906-I936 HydrophobicContact CD2-CG2 4.18Å; L910-I936 HydrophobicContact CD1-CG2 4.45Å; Q932-I936 WeakPolarHBondContact O-CG1 3.49Å; Q932-I936 PolarHBondContact O-N 3.28Å; A933-I936 PolarHBondContact O-N 3.17Å; I934-I936 VanDerWaalsContact C-N 3.31Å; I934-I936 PolarHBondContact O-N 3.44Å; I936-D939 PolarHBondContact O-N 3.38Å; I936-L940 HydrophobicContact CG2-CD1 3.82Å; I936-L940 HydrophobicContact CG2-CG 4.47Å; I936-L940 WeakPolarHBondContact O-CB 3.47Å; I936-L940 PolarHBondContact O-N 3.46Å |
| 937 | I | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 174.9 | -64.8 | 163.9 | 0 | 0 | 0 | 110.4 | F907 L910 L914 A933 I934 S935 D939 A941 P944 I947 M948 | F907-I937 HydrophobicContact CD1-CB 4.46Å; F907-I937 HydrophobicContact CD1-CG1 3.94Å; F907-I937 HydrophobicContact CD1-CG2 4.43Å; F907-I937 HydrophobicContact CE1-CG1 4.47Å; L910-I937 HydrophobicContact CB-CD1 4.15Å; L910-I937 HydrophobicContact CD1-CD1 4.23Å; L910-I937 HydrophobicContact CD1-CG1 3.86Å; L914-I937 HydrophobicContact CD1-CD1 4.48Å; A933-I937 WeakPolarHBondContact O-CG1 3.46Å; A933-I937 PolarHBondContact O-N 3.5Å; A933-I937 VanDerWaalsContact O-N 3.09Å; I934-I937 PolarHBondContact O-N 3.3Å; S935-I937 VanDerWaalsContact C-N 3.33Å; S935-I937 PolarHBondContact O-N 2.96Å; I937-D939 VanDerWaalsContact C-N 3.34Å; I937-D939 PolarHBondContact O-N 3.35Å; I937-A941 HydrophobicContact CG2-CB 4.12Å; I937-A941 WeakPolarHBondContact O-CB 3.13Å; I937-A941 PolarHBondContact O-N 3.16Å; I937-P944 HydrophobicContact CG2-CB 4.14Å; I937-I947 HydrophobicContact CD1-CG2 4.32Å; I937-I947 HydrophobicContact CG2-CB 4.26Å; I937-I947 HydrophobicContact CG2-CD1 3.81Å; I937-I947 HydrophobicContact CG2-CG2 4.06Å; I937-M948 HydrophobicContact CB-CE 3.78Å; I937-M948 HydrophobicContact CD1-CE 3.59Å; I937-M948 HydrophobicContact CG1-CE 4.27Å; I937-M948 HydrophobicContact CG2-CE 3.4Å; I937-M948 VanDerWaalsContact CG2-CE 3.4Å |
| 938 | Y | 95.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.3 | -32 | 177.8 | -88.3 | -77 | 0 | 0 | 0 | 113.9 | R899 I934 S935 P944 M948 I1039 K1042 Q1043 F1046 | R899-Y938 PolarHBondContact NH1-O 3.17Å; R899-Y938 PolarHBondContact NH2-O 2.89Å; I934-Y938 HydrophobicContact CG2-CD2 3.61Å; I934-Y938 HydrophobicContact CG2-CE2 3.71Å; I934-Y938 WeakPolarHBondContact O-CD2 3.33Å; I934-Y938 PolarHBondContact O-N 3.35Å; S935-Y938 PolarHBondContact O-N 3.27Å; S935-Y938 VanDerWaalsContact O-N 3.13Å; Y938-P944 HydrophobicContact CD1-CB 3.7Å; Y938-P944 HydrophobicContact CD1-CG 3.69Å; Y938-P944 HydrophobicContact CE1-CB 3.88Å; Y938-P944 HydrophobicContact CE1-CG 3.88Å; Y938-P944 HydrophobicContact CG-CB 4.13Å; Y938-M948 HydrophobicContact CE2-CG 3.77Å; Y938-M948 HydrophobicContact CE2-SD 4.17Å; Y938-I1039 PolarHBondContact OH-O 3.31Å; Y938-K1042 HydrophobicContact CD2-CB 3.5Å; Y938-K1042 HydrophobicContact CD2-CG 4.3Å; Y938-K1042 HydrophobicContact CE2-CB 3.45Å; Y938-K1042 VanDerWaalsContact CE2-CB 3.45Å; Y938-K1042 HydrophobicContact CG-CB 4.08Å; Y938-Q1043 HydrophobicContact CE1-CB 4.4Å; Y938-Q1043 VanDerWaalsContact CE1-OE1 3.22Å; Y938-Q1043 WeakPolarHBondContact OH-CB 3.29Å; Y938-Q1043 PolarHBondContact OH-OE1 3.12Å; Y938-F1046 HydrophobicContact CD1-CB 3.5Å; Y938-F1046 HydrophobicContact CD1-CD1 4.27Å; Y938-F1046 AromaticContact CD1-CD2 3.96Å; Y938-F1046 HydrophobicContact CD1-CD2 3.96Å; Y938-F1046 AromaticContact CD1-CG 3.65Å; Y938-F1046 HydrophobicContact CD1-CG 3.65Å; Y938-F1046 HydrophobicContact CE1-CB 3.8Å; Y938-F1046 HydrophobicContact CE1-CD1 4.28Å; Y938-F1046 HydrophobicContact CE1-CG 4.03Å |
| 939 | D | 90.7 | Very high | 95 | Very high | 61 Ų | 61 | 25.8 Ų | 25.8 | 33% | 0.326 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -76.1 | -39.1 | 179.1 | -67.1 | -32.1 | 0 | 0 | 0 | 111.8 | V880 R899 S935 I936 I937 | V880-D939 HydrophobicContact CG2-CB 4.36Å; R899-D939 WeakPolarHBondContact CD-O 3.35Å; R899-D939 PolarHBondContact NE-O 2.96Å; R899-D939 PolarHBondContact NH1-O 2.8Å; R899-D939 PolarHBondContact NH2-O 2.99Å; S935-D939 WeakPolarHBondContact O-CB 3.5Å; S935-D939 PolarHBondContact O-N 3.04Å; S935-D939 VanDerWaalsContact O-OD2 3.1Å; S935-D939 PolarHBondContact OG-OD2 3.26Å; I936-D939 PolarHBondContact O-N 3.38Å; I937-D939 VanDerWaalsContact C-N 3.34Å; I937-D939 PolarHBondContact O-N 3.35Å |
| 940 | L | 92.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -106.7 | -25.9 | -170.8 | -65.7 | 178.6 | 0 | 0 | 0 | 115.4 | I843 V880 F898 R899 L900 L906 F907 I936 | I843-L940 HydrophobicContact CD1-CD1 4.41Å; I843-L940 HydrophobicContact CD1-CD2 4.2Å; V880-L940 HydrophobicContact CG1-CD2 4.37Å; V880-L940 HydrophobicContact CG2-CD2 4.01Å; V880-L940 HydrophobicContact CG2-CG 4.38Å; F898-L940 HydrophobicContact CD1-CD2 3.81Å; F898-L940 HydrophobicContact CE1-CD2 4.15Å; R899-L940 CarbonylContact C-O 3.59Å; R899-L940 VanDerWaalsContact CA-O 3.25Å; R899-L940 WeakPolarHBondContact CA-O 3.47Å; L900-L940 HydrophobicContact CD1-CB 4.42Å; L900-L940 HydrophobicContact CD1-CD1 4.38Å; L900-L940 PolarHBondContact N-O 3.09Å; L906-L940 HydrophobicContact CD2-CD1 3.79Å; F907-L940 HydrophobicContact CE1-CB 4.04Å; F907-L940 HydrophobicContact CZ-CB 3.79Å; I936-L940 HydrophobicContact CG2-CD1 3.82Å; I936-L940 HydrophobicContact CG2-CG 4.47Å; I936-L940 WeakPolarHBondContact O-CB 3.47Å; I936-L940 PolarHBondContact O-N 3.46Å |
| 941 | A | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 144.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R899 F907 I937 P944 I947 | R899-A941 PolarHBondContact NH1-O 3.38Å; F907-A941 HydrophobicContact CD1-CB 4.47Å; F907-A941 HydrophobicContact CD2-CB 4.24Å; F907-A941 HydrophobicContact CE1-CB 3.98Å; F907-A941 HydrophobicContact CE2-CB 3.73Å; F907-A941 VanDerWaalsContact CZ-CA 3.41Å; F907-A941 HydrophobicContact CZ-CB 3.6Å; I937-A941 HydrophobicContact CG2-CB 4.12Å; I937-A941 WeakPolarHBondContact O-CB 3.13Å; I937-A941 PolarHBondContact O-N 3.16Å; A941-P944 HydrophobicContact CB-CB 4.27Å; A941-I947 HydrophobicContact CB-CD1 3.81Å |
| 942 | E | 90.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 28.9 Ų | 28.9 | 52% | 0.519 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -67.5 | -37.1 | 170.8 | -74.9 | -178.3 | 156.5 | 0 | 0 | 112.7 | R899 L900 | R899-E942 HydrophobicContact CB-CG 3.75Å; L900-E942 PolarHBondContact O-N 3.18Å; L900-E942 VanDerWaalsContact O-N 3.08Å |
| 943 | A | 91.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | trans | -132.5 | 74.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D945 S946 | A943-D945 VanDerWaalsContact C-N 3.31Å; A943-D945 WeakPolarHBondContact CA-OD1 3.5Å; A943-D945 PolarHBondContact O-N 2.99Å; A943-S946 PolarHBondContact O-N 2.78Å; A943-S946 PolarHBondContact O-OG 3.3Å | ||
| 944 | P | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | -177 | 26 | -33.5 | 0 | 0 | 0 | 113 | I937 Y938 A941 S946 I947 M948 F1046 | I937-P944 HydrophobicContact CG2-CB 4.14Å; Y938-P944 HydrophobicContact CD1-CB 3.7Å; Y938-P944 HydrophobicContact CD1-CG 3.69Å; Y938-P944 HydrophobicContact CE1-CB 3.88Å; Y938-P944 HydrophobicContact CE1-CG 3.88Å; Y938-P944 HydrophobicContact CG-CB 4.13Å; A941-P944 HydrophobicContact CB-CB 4.27Å; P944-S946 PolarHBondContact O-N 2.69Å; P944-I947 WeakPolarHBondContact O-CB 3.49Å; P944-I947 PolarHBondContact O-N 2.97Å; P944-I947 VanDerWaalsContact O-N 3.13Å; P944-M948 WeakPolarHBondContact O-CG 3.36Å; P944-M948 PolarHBondContact O-N 3.47Å; P944-F1046 HydrophobicContact CG-CD1 4.16Å; P944-F1046 HydrophobicContact CG-CD2 4.34Å; P944-F1046 HydrophobicContact CG-CE1 3.81Å; P944-F1046 HydrophobicContact CG-CE2 4.04Å; P944-F1046 HydrophobicContact CG-CG 4.41Å; P944-F1046 HydrophobicContact CG-CZ 3.75Å |
| 945 | D | 92 | Very high | 94.1 | Very high | 76 Ų | 76 | 33.8 Ų | 33.8 | 41% | 0.406 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -53 | -46.4 | 174.4 | 60.3 | -26.6 | 0 | 0 | 0 | 112.7 | A943 I947 M948 C949 | A943-D945 VanDerWaalsContact C-N 3.31Å; A943-D945 WeakPolarHBondContact CA-OD1 3.5Å; A943-D945 PolarHBondContact O-N 2.99Å; D945-I947 VanDerWaalsContact C-N 3.29Å; D945-I947 PolarHBondContact O-N 2.84Å; D945-M948 PolarHBondContact O-N 2.99Å; D945-C949 WeakPolarHBondContact O-CB 3.37Å; D945-C949 PolarHBondContact O-N 3.39Å; D945-C949 PolarHBondContact O-SG 3.27Å; D945-C949 VanDerWaalsContact O-SG 3.39Å |
| 946 | S | 93.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 178 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | T902 A943 P944 Y950 | T902-S946 WeakPolarHBondContact CG2-OG 3.4Å; A943-S946 PolarHBondContact O-N 2.78Å; A943-S946 PolarHBondContact O-OG 3.3Å; P944-S946 PolarHBondContact O-N 2.69Å; S946-Y950 PolarHBondContact O-N 3.2Å |
| 947 | I | 95.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.1 | -43.9 | 176.8 | -60.7 | 170.9 | 0 | 0 | 0 | 109.9 | T902 F907 K911 I937 A941 P944 D945 Y950 L951 | T902-I947 HydrophobicContact CG2-CD1 3.75Å; T902-I947 HydrophobicContact CG2-CG1 3.57Å; F907-I947 HydrophobicContact CB-CD1 3.92Å; F907-I947 HydrophobicContact CD1-CD1 4.49Å; F907-I947 HydrophobicContact CD2-CD1 4.15Å; F907-I947 HydrophobicContact CG-CD1 3.93Å; K911-I947 HydrophobicContact CD-CG2 3.86Å; K911-I947 HydrophobicContact CG-CG2 3.76Å; I937-I947 HydrophobicContact CD1-CG2 4.32Å; I937-I947 HydrophobicContact CG2-CB 4.26Å; I937-I947 HydrophobicContact CG2-CD1 3.81Å; I937-I947 HydrophobicContact CG2-CG2 4.06Å; A941-I947 HydrophobicContact CB-CD1 3.81Å; P944-I947 WeakPolarHBondContact O-CB 3.49Å; P944-I947 PolarHBondContact O-N 2.97Å; P944-I947 VanDerWaalsContact O-N 3.13Å; D945-I947 VanDerWaalsContact C-N 3.29Å; D945-I947 PolarHBondContact O-N 2.84Å; I947-Y950 PolarHBondContact O-N 2.99Å; I947-L951 WeakPolarHBondContact O-CB 3.18Å; I947-L951 PolarHBondContact O-N 3.3Å |
| 948 | M | 96.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 179.1 | -68.5 | -50.3 | 121 | 0 | 0 | 112.3 | I934 I937 Y938 P944 D945 Y950 L951 L952 I1039 | I934-M948 HydrophobicContact CD1-SD 4.17Å; I934-M948 HydrophobicContact CG1-CE 4.43Å; I934-M948 HydrophobicContact CG1-SD 4.23Å; I934-M948 HydrophobicContact CG2-CE 4.49Å; I934-M948 HydrophobicContact CG2-SD 4.16Å; I937-M948 HydrophobicContact CB-CE 3.78Å; I937-M948 HydrophobicContact CD1-CE 3.59Å; I937-M948 HydrophobicContact CG1-CE 4.27Å; I937-M948 HydrophobicContact CG2-CE 3.4Å; I937-M948 VanDerWaalsContact CG2-CE 3.4Å; Y938-M948 HydrophobicContact CE2-CG 3.77Å; Y938-M948 HydrophobicContact CE2-SD 4.17Å; P944-M948 WeakPolarHBondContact O-CG 3.36Å; P944-M948 PolarHBondContact O-N 3.47Å; D945-M948 PolarHBondContact O-N 2.99Å; M948-Y950 VanDerWaalsContact C-N 3.33Å; M948-Y950 PolarHBondContact O-N 2.84Å; M948-L951 PolarHBondContact O-N 2.65Å; M948-L951 HydrophobicContact SD-CD2 4.21Å; M948-L952 WeakPolarHBondContact O-CB 3.43Å; M948-L952 WeakPolarHBondContact O-CG 3.32Å; M948-L952 PolarHBondContact O-N 3.49Å; M948-I1039 HydrophobicContact CB-CD1 4.13Å; M948-I1039 HydrophobicContact CB-CG1 4.48Å; M948-I1039 HydrophobicContact CB-CG2 3.83Å; M948-I1039 HydrophobicContact CG-CD1 4.28Å; M948-I1039 HydrophobicContact CG-CG1 4.21Å; M948-I1039 HydrophobicContact CG-CG2 4Å; M948-I1039 HydrophobicContact SD-CD1 3.67Å; M948-I1039 HydrophobicContact SD-CG1 3.65Å |
| 949 | C | 93.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 173.6 | -78.4 | 0 | 0 | 0 | 0 | 111.9 | D945 R953 I1136 | D945-C949 WeakPolarHBondContact O-CB 3.37Å; D945-C949 PolarHBondContact O-N 3.39Å; D945-C949 PolarHBondContact O-SG 3.27Å; D945-C949 VanDerWaalsContact O-SG 3.39Å; C949-R953 WeakPolarHBondContact O-CB 3.28Å; C949-R953 PolarHBondContact O-N 3.29Å; C949-R953 VanDerWaalsContact O-N 3.09Å; C949-I1136 HydrophobicContact CB-CD1 4.31Å |
| 950 | Y | 94.5 | Very high | 92.5 | Very high | 122 Ų | 122 | 43 Ų | 43 | 48% | 0.478 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.3 | 178.1 | -94.5 | 0 | 0 | 0 | 111.5 | K911 I915 S946 I947 M948 L952 R953 S954 | K911-Y950 HydrophobicContact CD-CD1 3.67Å; K911-Y950 HydrophobicContact CD-CE1 4.05Å; K911-Y950 HydrophobicContact CG-CD1 4.5Å; I915-Y950 HydrophobicContact CD1-CD1 4.19Å; I915-Y950 HydrophobicContact CD1-CE1 3.61Å; S946-Y950 PolarHBondContact O-N 3.2Å; I947-Y950 PolarHBondContact O-N 2.99Å; M948-Y950 VanDerWaalsContact C-N 3.33Å; M948-Y950 PolarHBondContact O-N 2.84Å; Y950-L952 PolarHBondContact O-N 2.65Å; Y950-R953 PolarHBondContact O-N 3.05Å; Y950-S954 WeakPolarHBondContact O-CB 3.32Å; Y950-S954 PolarHBondContact O-N 3.47Å; Y950-S954 PolarHBondContact O-OG 3.29Å |
| 951 | L | 95.9 | Very high | 92 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | -179.5 | -179.2 | 61.5 | 0 | 0 | 0 | 112.4 | L914 I915 I934 I947 M948 T955 L1035 I1039 | L914-L951 HydrophobicContact CB-CD1 3.79Å; L914-L951 HydrophobicContact CD1-CD1 4.45Å; L914-L951 HydrophobicContact CD1-CD2 3.78Å; I915-L951 HydrophobicContact CD1-CD1 4.16Å; I915-L951 HydrophobicContact CG1-CD1 3.54Å; I934-L951 HydrophobicContact CD1-CD2 4.37Å; I947-L951 WeakPolarHBondContact O-CB 3.18Å; I947-L951 PolarHBondContact O-N 3.3Å; M948-L951 PolarHBondContact O-N 2.65Å; M948-L951 HydrophobicContact SD-CD2 4.21Å; L951-T955 VanDerWaalsContact O-CB 3.31Å; L951-T955 WeakPolarHBondContact O-CB 3.41Å; L951-T955 PolarHBondContact O-N 3.14Å; L951-T955 PolarHBondContact O-OG1 2.91Å; L951-L1035 HydrophobicContact CD2-CD1 3.92Å; L951-L1035 HydrophobicContact CG-CD1 4.48Å; L951-L1035 HydrophobicContact CG-CD2 4.26Å; L951-I1039 HydrophobicContact CD2-CD1 4.46Å |
| 952 | L | 95.3 | Very high | 91 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175.8 | -77.3 | 171.6 | 0 | 0 | 0 | 111.2 | M948 Y950 T955 A956 F1032 L1035 I1036 I1039 L1137 L1140 | M948-L952 WeakPolarHBondContact O-CB 3.43Å; M948-L952 WeakPolarHBondContact O-CG 3.32Å; M948-L952 PolarHBondContact O-N 3.49Å; Y950-L952 PolarHBondContact O-N 2.65Å; L952-T955 PolarHBondContact O-N 2.8Å; L952-A956 VanDerWaalsContact O-CB 3.27Å; L952-A956 WeakPolarHBondContact O-CB 3.46Å; L952-A956 PolarHBondContact O-N 3.26Å; L952-F1032 HydrophobicContact CD2-CE2 4.4Å; L952-L1035 HydrophobicContact CD2-CD2 4.24Å; L952-L1035 HydrophobicContact CD2-CG 4.22Å; L952-I1036 HydrophobicContact CD2-CG1 3.93Å; L952-I1039 HydrophobicContact CD1-CD1 4.15Å; L952-I1039 HydrophobicContact CD1-CG2 4.3Å; L952-I1039 HydrophobicContact CD2-CD1 3.84Å; L952-I1039 HydrophobicContact CG-CD1 3.69Å; L952-L1137 HydrophobicContact CD1-CD2 3.98Å; L952-L1140 HydrophobicContact CD1-CD1 4.12Å; L952-L1140 HydrophobicContact CD2-CD1 4.31Å |
| 953 | R | 94.2 | Very high | 89.9 | Confident | 154 Ų | 154 | 53 Ų | 53 | 58% | 0.581 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.9 | -51.4 | 178.3 | -173.7 | -178.7 | -61.1 | 169.8 | 1.5 | 111.6 | C949 Y950 T955 A956 E957 | C949-R953 WeakPolarHBondContact O-CB 3.28Å; C949-R953 PolarHBondContact O-N 3.29Å; C949-R953 VanDerWaalsContact O-N 3.09Å; Y950-R953 PolarHBondContact O-N 3.05Å; R953-T955 VanDerWaalsContact C-N 3.31Å; R953-T955 PolarHBondContact O-N 3.38Å; R953-A956 PolarHBondContact O-N 2.93Å; R953-E957 WeakPolarHBondContact O-CG 3.5Å; R953-E957 PolarHBondContact O-N 3.33Å |
| 954 | S | 94.6 | Very high | 88 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -34.7 | -180 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | Y950 K958 | Y950-S954 WeakPolarHBondContact O-CB 3.32Å; Y950-S954 PolarHBondContact O-N 3.47Å; Y950-S954 PolarHBondContact O-OG 3.29Å; S954-K958 WeakPolarHBondContact O-CG 3.4Å; S954-K958 PolarHBondContact O-N 3.42Å |
| 955 | T | 92.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.7 | -41 | 175.3 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | V918 L951 L952 R953 E957 K958 L959 F1032 L1035 | V918-T955 HydrophobicContact CB-CG2 4.49Å; V918-T955 HydrophobicContact CG1-CG2 4.12Å; V918-T955 HydrophobicContact CG2-CG2 3.82Å; L951-T955 VanDerWaalsContact O-CB 3.31Å; L951-T955 WeakPolarHBondContact O-CB 3.41Å; L951-T955 PolarHBondContact O-N 3.14Å; L951-T955 PolarHBondContact O-OG1 2.91Å; L952-T955 PolarHBondContact O-N 2.8Å; R953-T955 VanDerWaalsContact C-N 3.31Å; R953-T955 PolarHBondContact O-N 3.38Å; T955-E957 VanDerWaalsContact C-N 3.32Å; T955-E957 PolarHBondContact O-N 3.24Å; T955-K958 WeakPolarHBondContact O-CB 3.32Å; T955-K958 PolarHBondContact O-N 3.17Å; T955-K958 VanDerWaalsContact O-N 3.08Å; T955-L959 HydrophobicContact CG2-CD1 4.24Å; T955-L959 WeakPolarHBondContact O-CD1 3.44Å; T955-L959 PolarHBondContact O-N 3.46Å; T955-F1032 HydrophobicContact CG2-CD2 3.58Å; T955-F1032 HydrophobicContact CG2-CE2 4.27Å; T955-F1032 HydrophobicContact CG2-CG 4.47Å; T955-L1035 HydrophobicContact CG2-CD2 4.04Å |
| 956 | A | 90.6 | Very high | 83.1 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 26% | 0.256 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L952 R953 K958 L959 V960 F1032 | L952-A956 VanDerWaalsContact O-CB 3.27Å; L952-A956 WeakPolarHBondContact O-CB 3.46Å; L952-A956 PolarHBondContact O-N 3.26Å; R953-A956 PolarHBondContact O-N 2.93Å; A956-K958 VanDerWaalsContact C-N 3.27Å; A956-K958 PolarHBondContact O-N 3.44Å; A956-L959 WeakPolarHBondContact O-CB 3.24Å; A956-L959 PolarHBondContact O-N 3.4Å; A956-V960 WeakPolarHBondContact O-CG2 3.49Å; A956-V960 PolarHBondContact O-N 3Å; A956-F1032 HydrophobicContact CB-CE2 3.99Å; A956-F1032 HydrophobicContact CB-CZ 3.76Å |
| 957 | E | 90.3 | Very high | 80.4 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.8 | -38.5 | 172.8 | -74.3 | 166.3 | -174 | 0 | 0 | 111.9 | R953 T955 L959 V960 Q961 | R953-E957 WeakPolarHBondContact O-CG 3.5Å; R953-E957 PolarHBondContact O-N 3.33Å; T955-E957 VanDerWaalsContact C-N 3.32Å; T955-E957 PolarHBondContact O-N 3.24Å; E957-L959 VanDerWaalsContact C-N 3.33Å; E957-L959 PolarHBondContact O-N 3.31Å; E957-V960 PolarHBondContact O-N 3.16Å; E957-Q961 WeakPolarHBondContact O-CG 3.39Å; E957-Q961 PolarHBondContact O-N 3.34Å |
| 958 | K | 88.2 | Confident | 77.6 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 174 | -66.6 | -67.5 | -178.1 | 177.5 | 0 | 112.9 | S954 T955 A956 F962 | S954-K958 WeakPolarHBondContact O-CG 3.4Å; S954-K958 PolarHBondContact O-N 3.42Å; T955-K958 WeakPolarHBondContact O-CB 3.32Å; T955-K958 PolarHBondContact O-N 3.17Å; T955-K958 VanDerWaalsContact O-N 3.08Å; A956-K958 VanDerWaalsContact C-N 3.27Å; A956-K958 PolarHBondContact O-N 3.44Å; K958-F962 WeakPolarHBondContact O-CD2 3.21Å; K958-F962 WeakPolarHBondContact O-CE2 3.49Å |
| 959 | L | 87.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 174.6 | -85.3 | 72.5 | 0 | 0 | 0 | 111.3 | T955 A956 E957 Q961 F962 V1024 L1028 L1029 F1032 | T955-L959 HydrophobicContact CG2-CD1 4.24Å; T955-L959 WeakPolarHBondContact O-CD1 3.44Å; T955-L959 PolarHBondContact O-N 3.46Å; A956-L959 WeakPolarHBondContact O-CB 3.24Å; A956-L959 PolarHBondContact O-N 3.4Å; E957-L959 VanDerWaalsContact C-N 3.33Å; E957-L959 PolarHBondContact O-N 3.31Å; L959-Q961 PolarHBondContact O-N 3.46Å; L959-F962 PolarHBondContact O-N 3.28Å; L959-F962 VanDerWaalsContact O-N 3.15Å; L959-V1024 HydrophobicContact CG-CG1 4.11Å; L959-L1028 HydrophobicContact CD1-CD1 3.9Å; L959-L1028 HydrophobicContact CD1-CD2 4.22Å; L959-L1028 HydrophobicContact CD1-CG 3.81Å; L959-L1028 HydrophobicContact CG-CD2 4.32Å; L959-L1028 HydrophobicContact CG-CG 4.12Å; L959-L1029 HydrophobicContact CD2-CD1 4.29Å; L959-F1032 HydrophobicContact CD1-CB 3.87Å; L959-F1032 HydrophobicContact CD1-CD1 4.43Å; L959-F1032 HydrophobicContact CD1-CD2 4.23Å; L959-F1032 HydrophobicContact CD1-CG 3.94Å; L959-F1032 HydrophobicContact CD2-CB 3.84Å; L959-F1032 HydrophobicContact CD2-CD1 3.38Å; L959-F1032 HydrophobicContact CD2-CE1 4.02Å; L959-F1032 HydrophobicContact CD2-CG 3.69Å |
| 960 | V | 84.4 | Confident | 71.7 | Confident | 67 Ų | 67 | 81.7 Ų | 81.7 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.8 | -21.3 | -178.7 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | A956 E957 F962 K963 | A956-V960 WeakPolarHBondContact O-CG2 3.49Å; A956-V960 PolarHBondContact O-N 3Å; E957-V960 PolarHBondContact O-N 3.16Å; V960-F962 PolarHBondContact O-N 3.4Å; V960-F962 VanDerWaalsContact O-N 3.17Å; V960-K963 HydrophobicContact CG1-CD 3.77Å; V960-K963 VanDerWaalsContact CG1-CE 3.41Å; V960-K963 HydrophobicContact CG1-CG 4.39Å; V960-K963 VanDerWaalsContact CG1-NZ 3.27Å; V960-K963 WeakPolarHBondContact O-CD 3.29Å; V960-K963 WeakPolarHBondContact O-CG 3.47Å; V960-K963 PolarHBondContact O-N 3.21Å |
| 961 | Q | 82.2 | Confident | 68.8 | Low | 133 Ų | 133 | 83.4 Ų | 83.4 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -16.2 | 173.6 | -73.5 | 169.4 | 15.7 | 0 | 0 | 113.4 | E957 L959 K963 | E957-Q961 WeakPolarHBondContact O-CG 3.39Å; E957-Q961 PolarHBondContact O-N 3.34Å; L959-Q961 PolarHBondContact O-N 3.46Å; Q961-K963 VanDerWaalsContact C-N 3.28Å; Q961-K963 PolarHBondContact O-N 2.98Å |
| 962 | F | 72.7 | Confident | 65.6 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 24 | 176 | -66 | -92.1 | 0 | 0 | 0 | 114 | K958 L959 V960 S964 V1022 N1023 V1024 P1025 L1028 | K958-F962 WeakPolarHBondContact O-CD2 3.21Å; K958-F962 WeakPolarHBondContact O-CE2 3.49Å; L959-F962 PolarHBondContact O-N 3.28Å; L959-F962 VanDerWaalsContact O-N 3.15Å; V960-F962 PolarHBondContact O-N 3.4Å; V960-F962 VanDerWaalsContact O-N 3.17Å; F962-S964 PolarHBondContact O-N 2.69Å; F962-S964 VanDerWaalsContact O-N 3.14Å; F962-V1022 HydrophobicContact CB-CG1 4.41Å; F962-N1023 WeakPolarHBondContact CB-O 3.31Å; F962-N1023 PolarHBondContact O-N 3.47Å; F962-V1024 HydrophobicContact CB-CG2 4.32Å; F962-P1025 HydrophobicContact CD1-CG 4.15Å; F962-P1025 HydrophobicContact CE1-CG 3.69Å; F962-P1025 HydrophobicContact CZ-CG 4.04Å; F962-L1028 HydrophobicContact CD2-CD2 3.91Å; F962-L1028 HydrophobicContact CE2-CD2 3.32Å; F962-L1028 HydrophobicContact CZ-CD2 4.04Å |
| 963 | K | 66.7 | Low | 62.5 | Low | 109 Ų | 109 | 95 Ų | 95 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 112.9 | 172.3 | -84.9 | 165.6 | 166.6 | 167 | 0 | 110.3 | V960 Q961 V965 I1020 V1022 | V960-K963 HydrophobicContact CG1-CD 3.77Å; V960-K963 VanDerWaalsContact CG1-CE 3.41Å; V960-K963 HydrophobicContact CG1-CG 4.39Å; V960-K963 VanDerWaalsContact CG1-NZ 3.27Å; V960-K963 WeakPolarHBondContact O-CD 3.29Å; V960-K963 WeakPolarHBondContact O-CG 3.47Å; V960-K963 PolarHBondContact O-N 3.21Å; Q961-K963 VanDerWaalsContact C-N 3.28Å; Q961-K963 PolarHBondContact O-N 2.98Å; K963-V965 PolarHBondContact O-N 3.32Å; K963-I1020 HydrophobicContact CG-CG2 4.19Å; K963-V1022 HydrophobicContact CG-CG2 4.23Å |
| 964 | S | 53.1 | Low | 59.2 | Low | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | trans | -79.7 | 112.2 | 161 | 59.3 | 0 | 0 | 0 | 0 | 108 | F962 L966 S1021 | F962-S964 PolarHBondContact O-N 2.69Å; F962-S964 VanDerWaalsContact O-N 3.14Å; S964-L966 PolarHBondContact O-N 3.17Å; S964-L966 VanDerWaalsContact O-N 3.09Å; S964-S1021 PolarHBondContact OG-O 3.18Å | ||
| 965 | V | 45.2 | Very low | 56.1 | Low | 134 Ų | 134 | 101.2 Ų | 101.2 | 81% | 0.812 | 57% | 0.565 | S | S | * | * | trans | -65.2 | 109.2 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 106 | K963 | K963-V965 PolarHBondContact O-N 3.32Š| ||
| 966 | L | 38.8 | Very low | 52.9 | Low | 113 Ų | 113 | 108.8 Ų | 108.8 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | trans | -51.3 | 130.5 | 166.6 | -92.3 | 149.9 | 0 | 0 | 0 | 107.3 | S964 N968 | S964-L966 PolarHBondContact O-N 3.17Å; S964-L966 VanDerWaalsContact O-N 3.09Å; L966-N968 PolarHBondContact O-N 3.11Å | ||
| 967 | P | 36.2 | Very low | 50.1 | Low | 116 Ų | 116 | 113.1 Ų | 113.1 | 75% | 0.753 | 63% | 0.626 | S | S | * | * | trans | -57.8 | 112.2 | 175 | -15.5 | 26.5 | 0 | 0 | 0 | 107.3 | P969 | P967-P969 WeakPolarHBondContact O-CD 3.23Š| ||
| 968 | N | 36.5 | Very low | 47.1 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | trans | -57.2 | 126.8 | 172.6 | -99 | -7.4 | 0 | 0 | 0 | 107.5 | L966 V970 | L966-N968 PolarHBondContact O-N 3.11Å; N968-V970 PolarHBondContact O-N 2.9Å; N968-V970 VanDerWaalsContact O-N 3.09Å | ||
| 969 | P | 36.2 | Very low | 44.4 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | -63.5 | 116.3 | 172.8 | -1.3 | 11.2 | 0 | 0 | 0 | 108.1 | P967 | P967-P969 WeakPolarHBondContact O-CD 3.23Š| ||
| 970 | V | 30.9 | Very low | 41.5 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | 28.4 | 97.3 | 155.9 | -169 | 0 | 0 | 0 | 0 | 115.1 | N968 | N968-V970 PolarHBondContact O-N 2.9Å; N968-V970 VanDerWaalsContact O-N 3.09Å | ||
| 971 | N | 32.5 | Very low | 38.9 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -149 | 100.6 | 139.9 | -112.6 | -13 | 0 | 0 | 0 | 109.5 | N973 | N971-N973 PolarHBondContact O-N 3.12Å; N971-N973 VanDerWaalsContact O-N 3.15Å | ||
| 972 | S | 28.3 | Very low | 36.4 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | -52.4 | 108.4 | 153.3 | 42.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 973 | N | 30.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -168.7 | 131.7 | 132.1 | -91.3 | -14.6 | 0 | 0 | 0 | 110.9 | N971 | N971-N973 PolarHBondContact O-N 3.12Å; N971-N973 VanDerWaalsContact O-N 3.15Å | ||
| 974 | E | 25.6 | Very low | 32.2 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -52.9 | 142 | 175.5 | -60 | 160.8 | 143 | 0 | 0 | 112.2 | ||||
| 975 | S | 28.8 | Very low | 31.1 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 161.9 | 133.7 | 113.7 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 976 | I | 25.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 124.3 | -177.3 | -65.1 | 155.3 | 0 | 0 | 0 | 109.3 | ||||
| 977 | V | 32.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -143.2 | 108.6 | 155 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | N979 | V977-N979 PolarHBondContact O-N 3.25Š| ||
| 978 | D | 28 | Very low | 29.6 | Very low | 144 Ų | 144 | 155 Ų | 155 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -52.5 | 127.5 | 162.2 | -86.3 | -41.2 | 0 | 0 | 0 | 110.4 | ||||
| 979 | N | 30.2 | Very low | 29.2 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -150.6 | 86.4 | 159.6 | -96.4 | -31.5 | 0 | 0 | 0 | 110.9 | V977 Q981 | V977-N979 PolarHBondContact O-N 3.25Å; N979-Q981 PolarHBondContact O-N 3.22Å | ||
| 980 | N | 26.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -69.7 | 103 | 154.4 | -83.6 | -28.9 | 0 | 0 | 0 | 108.6 | ||||
| 981 | Q | 30.2 | Very low | 28.8 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -174.6 | 71 | 160.5 | -109.9 | 168.9 | 77 | 0 | 0 | 112.3 | N979 | N979-Q981 PolarHBondContact O-N 3.22Š| ||
| 982 | I | 29.5 | Very low | 28.9 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 72.6 | 159.4 | -50.8 | 177.6 | 0 | 0 | 0 | 107.8 | ||||
| 983 | L | 24.6 | Very low | 29.2 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -150.2 | 72.3 | 170 | -153.8 | 100.2 | 0 | 0 | 0 | 108.4 | ||||
| 984 | D | 27.5 | Very low | 29.1 | Very low | 158 Ų | 158 | 155.8 Ų | 155.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 178.5 | 109.5 | 154.9 | -103.4 | -18.3 | 0 | 0 | 0 | 109.8 | ||||
| 985 | K | 29.8 | Very low | 29.6 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | 156.6 | 83 | 154.4 | -91.1 | 167.1 | -175.5 | -179.3 | 0 | 107.8 | ||||
| 986 | L | 28.5 | Very low | 29.7 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -168 | 62 | 156 | -93.8 | 176.2 | 0 | 0 | 0 | 107.9 | ||||
| 987 | V | 27.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 154 Ų | 154 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -141.4 | 92.5 | 163.3 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 988 | R | 31.4 | Very low | 29.8 | Very low | 237 Ų | 237 | 154.7 Ų | 154.7 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -153.9 | 95.3 | 161 | -73.2 | -166.9 | 174.1 | -172.7 | -5.4 | 105.2 | ||||
| 989 | S | 29.2 | Very low | 29.9 | Very low | 92 Ų | 92 | 155.7 Ų | 155.7 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | 61 | 100.9 | 85 | 72.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 990 | D | 27.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | 64.6 | 141.6 | 127.4 | -52.4 | -30.6 | 0 | 0 | 0 | 121.7 | |||||
| 991 | D | 30.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | 99 | 118.1 | 150.5 | -58.3 | -29 | 0 | 0 | 0 | 119.7 | ||||
| 992 | D | 34.6 | Very low | 29.7 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 119.1 | 121.9 | 133.6 | -64 | -29.5 | 0 | 0 | 0 | 120.2 | ||||
| 993 | D | 34 | Very low | 29.7 | Very low | 150 Ų | 150 | 155 Ų | 155 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 92.1 | 102 | 141.8 | -72.1 | -23.4 | 0 | 0 | 0 | 121.9 | ||||
| 994 | D | 29.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -33.6 | 129.8 | 149.1 | -65.2 | -51.6 | 0 | 0 | 0 | 114.4 | ||||
| 995 | N | 35.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -141 | 99.3 | 149.5 | -162.2 | 10.6 | 0 | 0 | 0 | 109.9 | ||||
| 996 | V | 30.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 120.2 | 169.8 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 997 | N | 34.8 | Very low | 29.9 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -137.7 | 99.2 | 160.2 | -140 | 22.5 | 0 | 0 | 0 | 108.2 | ||||
| 998 | D | 26.9 | Very low | 29.9 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -58.5 | 136.1 | 160.6 | -74.2 | -52.5 | 0 | 0 | 0 | 109.1 | ||||
| 999 | E | 30 | Very low | 29.7 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | 166.6 | 131.9 | 130 | -91.9 | -176 | -159 | 0 | 0 | 112.6 | |||||
| 1000 | Q | 29.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 89.8 | 106.3 | 147.9 | -67.1 | 170.2 | 28.5 | 0 | 0 | 120.5 | ||||
| 1001 | E | 23.7 | Very low | 29.6 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -47.5 | 136.3 | 157.3 | -62 | 167.6 | 127.3 | 0 | 0 | 114.1 | ||||
| 1002 | N | 29.3 | Very low | 29.6 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -177.2 | 101.2 | 132.8 | -102.6 | -62.4 | 0 | 0 | 0 | 112.6 | ||||
| 1003 | V | 28.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | 12 | 149.6 | 128.3 | -165.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1004 | P | 34.5 | Very low | 29.4 | Very low | 107 Ų | 107 | 147 Ų | 147 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -128.2 | 172.8 | -32.3 | 37.5 | -20.4 | 0 | 0 | 0 | 113.6 | ||||
| 1005 | P | 29.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -91 | 125.5 | -172.6 | 34.2 | -29.3 | 0 | 0 | 0 | 112.8 | ||||
| 1006 | S | 22.8 | Very low | 29.5 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -162.6 | 67 | 167.7 | -65.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1007 | S | 28.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -138.3 | 105.7 | 173 | 60 | 0 | 0 | 0 | 0 | 111.6 | M1009 | S1007-M1009 PolarHBondContact O-N 3.47Š| ||
| 1008 | Q | 26.6 | Very low | 30.3 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -8 | 104.1 | 151.8 | -68.2 | 167.1 | -20.1 | 0 | 0 | 114.1 | K1010 | Q1008-K1010 PolarHBondContact O-N 2.96Å; Q1008-K1010 VanDerWaalsContact O-N 3.12Å | ||
| 1009 | M | 27.8 | Very low | 31.2 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 96% | 0.956 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 106.9 | 163.3 | -82.1 | -172 | 143.8 | 0 | 0 | 108.7 | S1007 | S1007-M1009 PolarHBondContact O-N 3.47Š| ||
| 1010 | K | 27.8 | Very low | 32.6 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -62.5 | 132.9 | 160.6 | -79 | 176.3 | 173.5 | 176.8 | 0 | 108.8 | Q1008 | Q1008-K1010 PolarHBondContact O-N 2.96Å; Q1008-K1010 VanDerWaalsContact O-N 3.12Å | ||
| 1011 | S | 27.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 117.8 | 168.9 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1012 | D | 29 | Very low | 36.6 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -110.1 | 109 | 155.3 | -88.7 | -31 | 0 | 0 | 0 | 107.7 | ||||
| 1013 | P | 34.5 | Very low | 39.1 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -104.8 | 98.1 | 175 | 33.8 | -20.9 | 0 | 0 | 0 | 109.3 | ||||
| 1014 | D | 30.8 | Very low | 41.9 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -152.9 | 57 | 172.8 | -113.3 | -7.2 | 0 | 0 | 0 | 112.5 | ||||
| 1015 | V | 35.1 | Very low | 44.6 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -140.4 | 106 | 151.5 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | S1017 | V1015-S1017 PolarHBondContact O-N 3.02Š| ||
| 1016 | T | 31.6 | Very low | 47.5 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 87% | 0.865 | 67% | 0.673 | S | S | * | * | trans | -66.2 | 70.4 | 174.2 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | S1018 | T1016-S1018 PolarHBondContact O-N 3.07Š| ||
| 1017 | S | 38.7 | Very low | 50.8 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | trans | -76.9 | 110.9 | 158.4 | -64.2 | 0 | 0 | 0 | 0 | 106.8 | V1015 L1019 | V1015-S1017 PolarHBondContact O-N 3.02Å; S1017-L1019 PolarHBondContact O-N 3.33Å | ||
| 1018 | S | 43.2 | Very low | 53.9 | Low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | trans | -45.8 | 101.8 | 174.6 | 35.2 | 0 | 0 | 0 | 0 | 110.7 | T1016 I1020 | T1016-S1018 PolarHBondContact O-N 3.07Å; S1018-I1020 PolarHBondContact O-N 2.97Å | ||
| 1019 | L | 47.1 | Very low | 57.1 | Low | 165 Ų | 165 | 99.7 Ų | 99.7 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | trans | -64.2 | 98.2 | 175.3 | -81 | 158.2 | 0 | 0 | 0 | 108.3 | S1017 S1021 | S1017-L1019 PolarHBondContact O-N 3.33Å; L1019-S1021 PolarHBondContact O-N 3.38Å; L1019-S1021 VanDerWaalsContact O-N 3.11Å | ||
| 1020 | I | 57.4 | Low | 60.3 | Low | 113 Ų | 113 | 91 Ų | 91 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | trans | -66.9 | 108.9 | 169.5 | -59.9 | 173.4 | 0 | 0 | 0 | 106.7 | K963 S1018 V1022 | K963-I1020 HydrophobicContact CG-CG2 4.19Å; S1018-I1020 PolarHBondContact O-N 2.97Å; I1020-V1022 HydrophobicContact CG2-CG2 3.88Å; I1020-V1022 PolarHBondContact O-N 3.08Å | ||
| 1021 | S | 66.7 | Low | 63.6 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | trans | -79.4 | 116.4 | 167.9 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | S964 L1019 | S964-S1021 PolarHBondContact OG-O 3.18Å; L1019-S1021 PolarHBondContact O-N 3.38Å; L1019-S1021 VanDerWaalsContact O-N 3.11Å | ||
| 1022 | V | 72.2 | Confident | 66.9 | Low | 57 Ų | 57 | 77.6 Ų | 77.6 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -104.2 | 123.5 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 107.6 | F962 K963 I1020 V1024 | F962-V1022 HydrophobicContact CB-CG1 4.41Å; K963-V1022 HydrophobicContact CG-CG2 4.23Å; I1020-V1022 HydrophobicContact CG2-CG2 3.88Å; I1020-V1022 PolarHBondContact O-N 3.08Å; V1022-V1024 HydrophobicContact CB-CG2 4.39Å; V1022-V1024 HydrophobicContact CG1-CG2 3.51Å |
| 1023 | N | 82 | Confident | 70.1 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | trans | -103.6 | 96.7 | 177.6 | -173.4 | 11.8 | 0 | 0 | 0 | 109.4 | F962 | F962-N1023 WeakPolarHBondContact CB-O 3.31Å; F962-N1023 PolarHBondContact O-N 3.47Å | ||
| 1024 | V | 87 | Confident | 73.1 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | trans | -102.8 | 139.7 | -174.6 | -172.4 | 0 | 0 | 0 | 0 | 110 | L959 F962 V1022 A1026 L1028 L1029 | L959-V1024 HydrophobicContact CG-CG1 4.11Å; F962-V1024 HydrophobicContact CB-CG2 4.32Å; V1022-V1024 HydrophobicContact CB-CG2 4.39Å; V1022-V1024 HydrophobicContact CG1-CG2 3.51Å; V1024-A1026 PolarHBondContact O-N 3.43Å; V1024-L1028 HydrophobicContact CG1-CB 4.15Å; V1024-L1028 HydrophobicContact CG1-CD2 3.96Å; V1024-L1028 HydrophobicContact CG1-CG 4.1Å; V1024-L1029 HydrophobicContact CG1-CB 4.38Å | ||
| 1025 | P | 90.4 | Very high | 76.3 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | trans | -56 | 136.8 | 170.8 | -24.8 | 33.9 | 0 | 0 | 0 | 112.4 | F962 F1027 L1028 L1029 | F962-P1025 HydrophobicContact CD1-CG 4.15Å; F962-P1025 HydrophobicContact CE1-CG 3.69Å; F962-P1025 HydrophobicContact CZ-CG 4.04Å; P1025-F1027 VanDerWaalsContact C-N 3.33Å; P1025-F1027 HydrophobicContact CB-CD1 3.72Å; P1025-F1027 HydrophobicContact CB-CE1 3.44Å; P1025-F1027 VanDerWaalsContact CB-CE1 3.44Å; P1025-F1027 HydrophobicContact CB-CZ 4.18Å; P1025-F1027 HydrophobicContact CG-CE1 4.2Å; P1025-F1027 PolarHBondContact O-N 2.9Å; P1025-L1028 HydrophobicContact CB-CB 4.39Å; P1025-L1028 PolarHBondContact O-N 3.02Å; P1025-L1029 PolarHBondContact O-N 3.47Å; P1025-L1029 VanDerWaalsContact O-N 3.1Å | ||
| 1026 | A | 91.2 | Very high | 79.3 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.7 | -44 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1024 L1028 L1029 S1030 D1156 V1159 | V1024-A1026 PolarHBondContact O-N 3.43Å; A1026-L1028 VanDerWaalsContact C-N 3.28Å; A1026-L1028 PolarHBondContact O-N 2.87Å; A1026-L1029 PolarHBondContact O-N 3.23Å; A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.43Å; A1026-S1030 PolarHBondContact O-OG 3.17Å; A1026-D1156 HydrophobicContact CB-CB 3.93Å; A1026-D1156 WeakPolarHBondContact CB-OD2 3.35Å; A1026-V1159 HydrophobicContact CB-CG2 3.94Å; A1026-V1159 VanDerWaalsContact O-CG2 3.29Å; A1026-V1159 WeakPolarHBondContact O-CG2 3.31Å |
| 1027 | F | 92.4 | Very high | 82.5 | Confident | 59 Ų | 59 | 45 Ų | 45 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 178.3 | 78.4 | -96 | 0 | 0 | 0 | 113.3 | P921 P1025 S1030 R1031 | P921-F1027 HydrophobicContact CB-CE1 4.27Å; P921-F1027 HydrophobicContact CB-CZ 4.21Å; P1025-F1027 VanDerWaalsContact C-N 3.33Å; P1025-F1027 HydrophobicContact CB-CD1 3.72Å; P1025-F1027 HydrophobicContact CB-CE1 3.44Å; P1025-F1027 VanDerWaalsContact CB-CE1 3.44Å; P1025-F1027 HydrophobicContact CB-CZ 4.18Å; P1025-F1027 HydrophobicContact CG-CE1 4.2Å; P1025-F1027 PolarHBondContact O-N 2.9Å; F1027-S1030 WeakPolarHBondContact CA-OG 3.08Å; F1027-S1030 PolarHBondContact O-OG 2.86Å; F1027-R1031 WeakPolarHBondContact O-CB 3.5Å; F1027-R1031 WeakPolarHBondContact O-CD 3.43Å; F1027-R1031 WeakPolarHBondContact O-CG 3.46Å; F1027-R1031 PolarHBondContact O-N 3.35Å; F1027-R1031 VanDerWaalsContact O-N 3.15Å |
| 1028 | L | 93.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.2 | -41.5 | -179.4 | 176.1 | 58.4 | 0 | 0 | 0 | 109.9 | V918 L959 F962 V1024 P1025 A1026 F1032 | V918-L1028 HydrophobicContact CG1-CD1 4.46Å; V918-L1028 HydrophobicContact CG2-CD1 3.93Å; L959-L1028 HydrophobicContact CD1-CD1 3.9Å; L959-L1028 HydrophobicContact CD1-CD2 4.22Å; L959-L1028 HydrophobicContact CD1-CG 3.81Å; L959-L1028 HydrophobicContact CG-CD2 4.32Å; L959-L1028 HydrophobicContact CG-CG 4.12Å; F962-L1028 HydrophobicContact CD2-CD2 3.91Å; F962-L1028 HydrophobicContact CE2-CD2 3.32Å; F962-L1028 HydrophobicContact CZ-CD2 4.04Å; V1024-L1028 HydrophobicContact CG1-CB 4.15Å; V1024-L1028 HydrophobicContact CG1-CD2 3.96Å; V1024-L1028 HydrophobicContact CG1-CG 4.1Å; P1025-L1028 HydrophobicContact CB-CB 4.39Å; P1025-L1028 PolarHBondContact O-N 3.02Å; A1026-L1028 VanDerWaalsContact C-N 3.28Å; A1026-L1028 PolarHBondContact O-N 2.87Å; L1028-F1032 WeakPolarHBondContact O-CB 3.36Å; L1028-F1032 PolarHBondContact O-N 3.42Å |
| 1029 | L | 94.4 | Very high | 87.9 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.3 | 179.1 | 57.8 | 0 | 0 | 0 | 111.4 | L959 V1024 P1025 A1026 R1031 F1032 L1033 F1143 F1154 V1159 | L959-L1029 HydrophobicContact CD2-CD1 4.29Å; V1024-L1029 HydrophobicContact CG1-CB 4.38Å; P1025-L1029 PolarHBondContact O-N 3.47Å; P1025-L1029 VanDerWaalsContact O-N 3.1Å; A1026-L1029 PolarHBondContact O-N 3.23Å; L1029-R1031 PolarHBondContact O-N 2.87Å; L1029-F1032 PolarHBondContact O-N 3.2Å; L1029-L1033 HydrophobicContact CD1-CD1 4.06Å; L1029-L1033 HydrophobicContact CD1-CG 4.19Å; L1029-L1033 HydrophobicContact CG-CD1 3.9Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.32Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.45Å; L1029-L1033 PolarHBondContact O-N 3.45Å; L1029-F1143 HydrophobicContact CD1-CE1 3.89Å; L1029-F1143 HydrophobicContact CD1-CZ 3.68Å; L1029-F1154 HydrophobicContact CD2-CD1 4.08Å; L1029-F1154 HydrophobicContact CD2-CE1 4.01Å; L1029-V1159 HydrophobicContact CB-CG2 4.39Å; L1029-V1159 HydrophobicContact CD2-CG1 3.89Å; L1029-V1159 HydrophobicContact CD2-CG2 4.37Å; L1029-V1159 HydrophobicContact CG-CG1 4.18Å; L1029-V1159 HydrophobicContact CG-CG2 4.41Å |
| 1030 | S | 95.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 112 | A1026 F1027 F1032 L1033 A1034 T1158 S1162 | A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.43Å; A1026-S1030 PolarHBondContact O-OG 3.17Å; F1027-S1030 WeakPolarHBondContact CA-OG 3.08Å; F1027-S1030 PolarHBondContact O-OG 2.86Å; S1030-F1032 PolarHBondContact O-N 2.89Å; S1030-L1033 PolarHBondContact O-N 3.31Å; S1030-A1034 WeakPolarHBondContact O-CB 3.15Å; S1030-A1034 PolarHBondContact O-N 3.23Å; S1030-T1158 WeakPolarHBondContact CB-O 3.5Å; S1030-S1162 VanDerWaalsContact O-CB 3.24Å; S1030-S1162 WeakPolarHBondContact O-CB 3.11Å; S1030-S1162 PolarHBondContact O-OG 3.06Å |
| 1031 | R | 96.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 173.9 | -73.7 | 174.9 | -170.5 | 163.7 | 5.5 | 113.3 | V918 Q920 Q923 W926 V927 F1027 L1029 A1034 L1035 | V918-R1031 HydrophobicContact CG2-CB 4.16Å; V918-R1031 PolarHBondContact O-NH1 3.45Å; Q920-R1031 PolarHBondContact O-NH1 2.94Å; Q920-R1031 PolarHBondContact O-NH2 2.72Å; Q923-R1031 PolarHBondContact O-NH2 3.38Å; W926-R1031 HydrophobicContact CD2-CB 4.49Å; W926-R1031 HydrophobicContact CD2-CG 4.08Å; W926-R1031 HydrophobicContact CE3-CB 3.77Å; W926-R1031 HydrophobicContact CE3-CG 3.47Å; W926-R1031 VanDerWaalsContact CE3-CG 3.47Å; W926-R1031 HydrophobicContact CH2-CB 4.11Å; W926-R1031 HydrophobicContact CZ3-CB 3.55Å; W926-R1031 HydrophobicContact CZ3-CG 3.83Å; V927-R1031 HydrophobicContact CG2-CG 4.4Å; F1027-R1031 WeakPolarHBondContact O-CB 3.5Å; F1027-R1031 WeakPolarHBondContact O-CD 3.43Å; F1027-R1031 WeakPolarHBondContact O-CG 3.46Å; F1027-R1031 PolarHBondContact O-N 3.35Å; F1027-R1031 VanDerWaalsContact O-N 3.15Å; L1029-R1031 PolarHBondContact O-N 2.87Å; R1031-A1034 PolarHBondContact O-N 3.48Å; R1031-L1035 VanDerWaalsContact O-CB 3.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.39Å; R1031-L1035 PolarHBondContact O-N 2.75Å |
| 1032 | F | 96.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.4 | -176.7 | -119.4 | 0 | 0 | 0 | 111.8 | L952 T955 A956 L959 L1028 L1029 S1030 L1035 I1036 L1140 F1143 | L952-F1032 HydrophobicContact CD2-CE2 4.4Å; T955-F1032 HydrophobicContact CG2-CD2 3.58Å; T955-F1032 HydrophobicContact CG2-CE2 4.27Å; T955-F1032 HydrophobicContact CG2-CG 4.47Å; A956-F1032 HydrophobicContact CB-CE2 3.99Å; A956-F1032 HydrophobicContact CB-CZ 3.76Å; L959-F1032 HydrophobicContact CD1-CB 3.87Å; L959-F1032 HydrophobicContact CD1-CD1 4.43Å; L959-F1032 HydrophobicContact CD1-CD2 4.23Å; L959-F1032 HydrophobicContact CD1-CG 3.94Å; L959-F1032 HydrophobicContact CD2-CB 3.84Å; L959-F1032 HydrophobicContact CD2-CD1 3.38Å; L959-F1032 HydrophobicContact CD2-CE1 4.02Å; L959-F1032 HydrophobicContact CD2-CG 3.69Å; L1028-F1032 WeakPolarHBondContact O-CB 3.36Å; L1028-F1032 PolarHBondContact O-N 3.42Å; L1029-F1032 PolarHBondContact O-N 3.2Å; S1030-F1032 PolarHBondContact O-N 2.89Å; F1032-L1035 WeakPolarHBondContact O-CB 3.22Å; F1032-L1035 PolarHBondContact O-N 2.88Å; F1032-I1036 HydrophobicContact CD1-CD1 3.82Å; F1032-I1036 HydrophobicContact CE1-CD1 3.6Å; F1032-I1036 HydrophobicContact CE1-CG1 4.46Å; F1032-I1036 HydrophobicContact CE2-CD1 4.42Å; F1032-I1036 HydrophobicContact CE2-CG1 4.45Å; F1032-I1036 HydrophobicContact CG-CD1 4.35Å; F1032-I1036 HydrophobicContact CZ-CD1 3.92Å; F1032-I1036 HydrophobicContact CZ-CG1 4.35Å; F1032-I1036 VanDerWaalsContact O-CG1 3.26Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; F1032-I1036 PolarHBondContact O-N 2.99Å; F1032-L1140 HydrophobicContact CE1-CD2 4.23Å; F1032-L1140 HydrophobicContact CZ-CD2 3.97Å; F1032-F1143 HydrophobicContact CD1-CE1 4.36Å; F1032-F1143 HydrophobicContact CE1-CE1 4.39Å |
| 1033 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.7 | -68.2 | 162.1 | 0 | 0 | 0 | 111.5 | L1029 S1030 L1035 I1036 G1037 F1143 V1144 V1147 V1159 A1163 A1166 | L1029-L1033 HydrophobicContact CD1-CD1 4.06Å; L1029-L1033 HydrophobicContact CD1-CG 4.19Å; L1029-L1033 HydrophobicContact CG-CD1 3.9Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.32Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.45Å; L1029-L1033 PolarHBondContact O-N 3.45Å; S1030-L1033 PolarHBondContact O-N 3.31Å; L1033-L1035 VanDerWaalsContact C-N 3.3Å; L1033-L1035 PolarHBondContact O-N 3.33Å; L1033-I1036 PolarHBondContact O-N 2.88Å; L1033-G1037 PolarHBondContact O-N 2.87Å; L1033-F1143 HydrophobicContact CD2-CD1 4.26Å; L1033-F1143 HydrophobicContact CD2-CE1 4Å; L1033-V1144 HydrophobicContact CD2-CG2 3.76Å; L1033-V1147 HydrophobicContact CD1-CG1 4.35Å; L1033-V1147 HydrophobicContact CD2-CG2 4.5Å; L1033-V1159 HydrophobicContact CD1-CG1 3.86Å; L1033-A1163 HydrophobicContact CD1-CB 3.95Å; L1033-A1163 HydrophobicContact CD2-CB 4.45Å; L1033-A1166 VanDerWaalsContact O-CB 3.28Å; L1033-A1166 WeakPolarHBondContact O-CB 3.43Å |
| 1034 | A | 97.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 12% | 0.116 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V927 M930 S1030 R1031 G1037 H1038 | V927-A1034 HydrophobicContact CG2-CB 4.35Å; M930-A1034 HydrophobicContact CE-CB 4.25Å; S1030-A1034 WeakPolarHBondContact O-CB 3.15Å; S1030-A1034 PolarHBondContact O-N 3.23Å; R1031-A1034 PolarHBondContact O-N 3.48Å; A1034-G1037 PolarHBondContact O-N 2.65Å; A1034-H1038 VanDerWaalsContact O-CB 3.31Å; A1034-H1038 WeakPolarHBondContact O-CB 3.32Å; A1034-H1038 PolarHBondContact O-N 3.25Å |
| 1035 | L | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 175.3 | -179.7 | 66.9 | 0 | 0 | 0 | 111.9 | W926 M930 I934 L951 L952 T955 R1031 F1032 L1033 G1037 H1038 I1039 | W926-L1035 HydrophobicContact CH2-CB 4.47Å; M930-L1035 HydrophobicContact CG-CD1 3.97Å; M930-L1035 HydrophobicContact SD-CD1 4Å; I934-L1035 HydrophobicContact CD1-CD1 3.43Å; I934-L1035 VanDerWaalsContact CD1-CD1 3.43Å; L951-L1035 HydrophobicContact CD2-CD1 3.92Å; L951-L1035 HydrophobicContact CG-CD1 4.48Å; L951-L1035 HydrophobicContact CG-CD2 4.26Å; L952-L1035 HydrophobicContact CD2-CD2 4.24Å; L952-L1035 HydrophobicContact CD2-CG 4.22Å; T955-L1035 HydrophobicContact CG2-CD2 4.04Å; R1031-L1035 VanDerWaalsContact O-CB 3.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.39Å; R1031-L1035 PolarHBondContact O-N 2.75Å; F1032-L1035 WeakPolarHBondContact O-CB 3.22Å; F1032-L1035 PolarHBondContact O-N 2.88Å; L1033-L1035 VanDerWaalsContact C-N 3.3Å; L1033-L1035 PolarHBondContact O-N 3.33Å; L1035-G1037 PolarHBondContact O-N 2.94Å; L1035-H1038 PolarHBondContact O-N 3.36Å; L1035-I1039 HydrophobicContact CD1-CD1 3.65Å; L1035-I1039 HydrophobicContact CD1-CG1 4.1Å; L1035-I1039 HydrophobicContact CG-CD1 3.79Å; L1035-I1039 HydrophobicContact CG-CG1 4.49Å; L1035-I1039 WeakPolarHBondContact O-CB 3.35Å; L1035-I1039 VanDerWaalsContact O-CG1 3.28Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.41Å; L1035-I1039 PolarHBondContact O-N 3.24Å |
| 1036 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.2 | -51.4 | 177.4 | -66.3 | 163.2 | 0 | 0 | 0 | 110.4 | L952 F1032 L1033 H1038 T1040 L1140 V1144 M1170 | L952-I1036 HydrophobicContact CD2-CG1 3.93Å; F1032-I1036 HydrophobicContact CD1-CD1 3.82Å; F1032-I1036 HydrophobicContact CE1-CD1 3.6Å; F1032-I1036 HydrophobicContact CE1-CG1 4.46Å; F1032-I1036 HydrophobicContact CE2-CD1 4.42Å; F1032-I1036 HydrophobicContact CE2-CG1 4.45Å; F1032-I1036 HydrophobicContact CG-CD1 4.35Å; F1032-I1036 HydrophobicContact CZ-CD1 3.92Å; F1032-I1036 HydrophobicContact CZ-CG1 4.35Å; F1032-I1036 VanDerWaalsContact O-CG1 3.26Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; F1032-I1036 PolarHBondContact O-N 2.99Å; L1033-I1036 PolarHBondContact O-N 2.88Å; I1036-H1038 PolarHBondContact O-N 3.1Å; I1036-T1040 WeakPolarHBondContact O-CB 3.41Å; I1036-T1040 PolarHBondContact O-N 3.45Å; I1036-T1040 PolarHBondContact O-OG1 3.37Å; I1036-L1140 HydrophobicContact CD1-CB 4.27Å; I1036-L1140 HydrophobicContact CD1-CD2 3.93Å; I1036-L1140 HydrophobicContact CD1-CG 4.46Å; I1036-L1140 HydrophobicContact CG1-CD1 4.2Å; I1036-L1140 HydrophobicContact CG1-CD2 4.47Å; I1036-L1140 HydrophobicContact CG2-CB 4.07Å; I1036-V1144 HydrophobicContact CD1-CG2 4.35Å; I1036-V1144 HydrophobicContact CG2-CG2 4.18Å; I1036-M1170 HydrophobicContact CG2-CE 4.11Å; I1036-M1170 HydrophobicContact CG2-SD 3.81Å |
| 1037 | G | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1033 A1034 L1035 T1040 L1041 K1169 | L1033-G1037 PolarHBondContact O-N 2.87Å; A1034-G1037 PolarHBondContact O-N 2.65Å; L1035-G1037 PolarHBondContact O-N 2.94Å; G1037-T1040 PolarHBondContact O-N 3.5Å; G1037-L1041 PolarHBondContact O-N 3.41Å; G1037-K1169 VanDerWaalsContact C-CD 3.49Å; G1037-K1169 WeakPolarHBondContact O-CB 3.43Å; G1037-K1169 WeakPolarHBondContact O-CD 3.36Å |
| 1038 | H | 97.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | -176.8 | -162.5 | 64.5 | 0 | 0 | 0 | 113.2 | M930 E931 A1034 L1035 I1036 T1040 L1041 K1042 K1169 | M930-H1038 HydrophobicContact CE-CB 4.27Å; M930-H1038 HydrophobicContact SD-CB 4.16Å; E931-H1038 VanDerWaalsContact CA-NE2 3.32Å; E931-H1038 WeakPolarHBondContact CA-NE2 3.24Å; E931-H1038 PolarHBondContact O-NE2 2.86Å; E931-H1038 IonicContact OE1-ND1 3.57Å; A1034-H1038 VanDerWaalsContact O-CB 3.31Å; A1034-H1038 WeakPolarHBondContact O-CB 3.32Å; A1034-H1038 PolarHBondContact O-N 3.25Å; L1035-H1038 PolarHBondContact O-N 3.36Å; I1036-H1038 PolarHBondContact O-N 3.1Å; H1038-T1040 VanDerWaalsContact C-N 3.31Å; H1038-T1040 PolarHBondContact O-N 2.9Å; H1038-L1041 PolarHBondContact O-N 3.36Å; H1038-K1042 WeakPolarHBondContact O-CB 3.42Å; H1038-K1042 VanDerWaalsContact O-CG 3.31Å; H1038-K1042 WeakPolarHBondContact O-CG 3.47Å; H1038-K1042 PolarHBondContact O-N 3.14Å; H1038-K1169 PolarHBondContact ND1-NZ 3.43Å |
| 1039 | I | 97.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.7 | -72.6 | 175.5 | 0 | 0 | 0 | 110.2 | I934 Y938 M948 L951 L952 L1035 L1041 K1042 Q1043 | I934-I1039 HydrophobicContact CD1-CD1 4.26Å; I934-I1039 HydrophobicContact CD1-CG1 3.74Å; Y938-I1039 PolarHBondContact OH-O 3.31Å; M948-I1039 HydrophobicContact CB-CD1 4.13Å; M948-I1039 HydrophobicContact CB-CG1 4.48Å; M948-I1039 HydrophobicContact CB-CG2 3.83Å; M948-I1039 HydrophobicContact CG-CD1 4.28Å; M948-I1039 HydrophobicContact CG-CG1 4.21Å; M948-I1039 HydrophobicContact CG-CG2 4Å; M948-I1039 HydrophobicContact SD-CD1 3.67Å; M948-I1039 HydrophobicContact SD-CG1 3.65Å; L951-I1039 HydrophobicContact CD2-CD1 4.46Å; L952-I1039 HydrophobicContact CD1-CD1 4.15Å; L952-I1039 HydrophobicContact CD1-CG2 4.3Å; L952-I1039 HydrophobicContact CD2-CD1 3.84Å; L952-I1039 HydrophobicContact CG-CD1 3.69Å; L1035-I1039 HydrophobicContact CD1-CD1 3.65Å; L1035-I1039 HydrophobicContact CD1-CG1 4.1Å; L1035-I1039 HydrophobicContact CG-CD1 3.79Å; L1035-I1039 HydrophobicContact CG-CG1 4.49Å; L1035-I1039 WeakPolarHBondContact O-CB 3.35Å; L1035-I1039 VanDerWaalsContact O-CG1 3.28Å; L1035-I1039 WeakPolarHBondContact O-CG1 3.41Å; L1035-I1039 PolarHBondContact O-N 3.24Å; I1039-L1041 PolarHBondContact O-N 2.87Å; I1039-K1042 PolarHBondContact O-N 3.46Å; I1039-Q1043 WeakPolarHBondContact O-CB 3.41Å; I1039-Q1043 PolarHBondContact O-N 3.33Å |
| 1040 | T | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | I1036 G1037 H1038 Q1043 L1044 L1137 M1170 V1173 | I1036-T1040 WeakPolarHBondContact O-CB 3.41Å; I1036-T1040 PolarHBondContact O-N 3.45Å; I1036-T1040 PolarHBondContact O-OG1 3.37Å; G1037-T1040 PolarHBondContact O-N 3.5Å; H1038-T1040 VanDerWaalsContact C-N 3.31Å; H1038-T1040 PolarHBondContact O-N 2.9Å; T1040-Q1043 PolarHBondContact O-N 2.97Å; T1040-L1044 PolarHBondContact O-N 3.31Å; T1040-L1137 HydrophobicContact CG2-CD1 4.35Å; T1040-M1170 HydrophobicContact CG2-CB 4.28Å; T1040-M1170 HydrophobicContact CG2-CG 3.91Å; T1040-V1173 HydrophobicContact CG2-CG2 3.46Å; T1040-V1173 VanDerWaalsContact CG2-CG2 3.46Å |
| 1041 | L | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.2 | 178 | 63 | 0 | 0 | 0 | 112 | G1037 H1038 I1039 L1044 V1045 K1169 L1172 | G1037-L1041 PolarHBondContact O-N 3.41Å; H1038-L1041 PolarHBondContact O-N 3.36Å; I1039-L1041 PolarHBondContact O-N 2.87Å; L1041-L1044 WeakPolarHBondContact O-CB 3.12Å; L1041-L1044 PolarHBondContact O-N 2.92Å; L1041-V1045 HydrophobicContact CD1-CG2 4.4Å; L1041-V1045 WeakPolarHBondContact O-CG2 3.21Å; L1041-V1045 PolarHBondContact O-N 3Å; L1041-K1169 HydrophobicContact CB-CB 4.11Å; L1041-K1169 HydrophobicContact CB-CD 4.06Å; L1041-K1169 HydrophobicContact CB-CG 4.11Å; L1041-K1169 HydrophobicContact CD2-CD 3.98Å; L1041-K1169 HydrophobicContact CD2-CG 4.05Å; L1041-L1172 HydrophobicContact CD1-CD1 3.84Å |
| 1042 | K | 96.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 24 Ų | 24 | 22% | 0.222 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | -179.9 | -72.6 | -74.5 | -178.1 | 174.4 | 0 | 112 | I934 S935 Y938 H1038 I1039 V1045 F1046 | I934-K1042 HydrophobicContact CG2-CB 4.31Å; I934-K1042 HydrophobicContact CG2-CG 4.11Å; S935-K1042 PolarHBondContact OG-NZ 3.47Å; Y938-K1042 HydrophobicContact CD2-CB 3.5Å; Y938-K1042 HydrophobicContact CD2-CG 4.3Å; Y938-K1042 HydrophobicContact CE2-CB 3.45Å; Y938-K1042 VanDerWaalsContact CE2-CB 3.45Å; Y938-K1042 HydrophobicContact CG-CB 4.08Å; H1038-K1042 WeakPolarHBondContact O-CB 3.42Å; H1038-K1042 VanDerWaalsContact O-CG 3.31Å; H1038-K1042 WeakPolarHBondContact O-CG 3.47Å; H1038-K1042 PolarHBondContact O-N 3.14Å; I1039-K1042 PolarHBondContact O-N 3.46Å; K1042-V1045 PolarHBondContact O-N 2.8Å; K1042-F1046 WeakPolarHBondContact O-CB 3.23Å; K1042-F1046 PolarHBondContact O-N 3.11Å |
| 1043 | Q | 95.7 | Very high | 94 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 171.9 | -171.8 | 63.5 | 30.8 | 0 | 0 | 111.1 | Y938 I1039 T1040 F1046 M1047 L1129 | Y938-Q1043 HydrophobicContact CE1-CB 4.4Å; Y938-Q1043 VanDerWaalsContact CE1-OE1 3.22Å; Y938-Q1043 WeakPolarHBondContact OH-CB 3.29Å; Y938-Q1043 PolarHBondContact OH-OE1 3.12Å; I1039-Q1043 WeakPolarHBondContact O-CB 3.41Å; I1039-Q1043 PolarHBondContact O-N 3.33Å; T1040-Q1043 PolarHBondContact O-N 2.97Å; Q1043-F1046 PolarHBondContact O-N 3Å; Q1043-M1047 VanDerWaalsContact O-CG 3.31Å; Q1043-M1047 WeakPolarHBondContact O-CG 3.45Å; Q1043-M1047 PolarHBondContact O-N 3.11Å; Q1043-L1129 HydrophobicContact CG-CD1 4.37Å; Q1043-L1129 HydrophobicContact CG-CD2 4.06Å |
| 1044 | L | 94.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -54.8 | 175.6 | 174.8 | 62.9 | 0 | 0 | 0 | 111.2 | T1040 L1041 F1046 M1047 E1048 C1125 L1172 V1173 | T1040-L1044 PolarHBondContact O-N 3.31Å; L1041-L1044 WeakPolarHBondContact O-CB 3.12Å; L1041-L1044 PolarHBondContact O-N 2.92Å; L1044-F1046 VanDerWaalsContact C-N 3.25Å; L1044-F1046 PolarHBondContact O-N 3.04Å; L1044-M1047 PolarHBondContact O-N 3.47Å; L1044-E1048 HydrophobicContact CD1-CG 4.15Å; L1044-E1048 WeakPolarHBondContact O-CG 3.36Å; L1044-E1048 PolarHBondContact O-N 3.44Å; L1044-C1125 HydrophobicContact CD1-CB 4.48Å; L1044-L1172 HydrophobicContact CD2-CB 3.81Å; L1044-L1172 WeakPolarHBondContact CD2-O 3.45Å; L1044-V1173 HydrophobicContact CB-CG2 4.37Å; L1044-V1173 HydrophobicContact CD2-CG2 4.42Å |
| 1045 | V | 93.5 | Very high | 93 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L1041 K1042 S1049 | L1041-V1045 HydrophobicContact CD1-CG2 4.4Å; L1041-V1045 WeakPolarHBondContact O-CG2 3.21Å; L1041-V1045 PolarHBondContact O-N 3Å; K1042-V1045 PolarHBondContact O-N 2.8Å; V1045-S1049 WeakPolarHBondContact O-CB 3.31Å; V1045-S1049 PolarHBondContact O-N 3.43Å |
| 1046 | F | 93.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -63.9 | -45.3 | 177.4 | 176 | -105.4 | 0 | 0 | 0 | 112.3 | Y938 P944 K1042 Q1043 L1044 A1050 V1051 | Y938-F1046 HydrophobicContact CD1-CB 3.5Å; Y938-F1046 HydrophobicContact CD1-CD1 4.27Å; Y938-F1046 AromaticContact CD1-CD2 3.96Å; Y938-F1046 HydrophobicContact CD1-CD2 3.96Å; Y938-F1046 AromaticContact CD1-CG 3.65Å; Y938-F1046 HydrophobicContact CD1-CG 3.65Å; Y938-F1046 HydrophobicContact CE1-CB 3.8Å; Y938-F1046 HydrophobicContact CE1-CD1 4.28Å; Y938-F1046 HydrophobicContact CE1-CG 4.03Å; P944-F1046 HydrophobicContact CG-CD1 4.16Å; P944-F1046 HydrophobicContact CG-CD2 4.34Å; P944-F1046 HydrophobicContact CG-CE1 3.81Å; P944-F1046 HydrophobicContact CG-CE2 4.04Å; P944-F1046 HydrophobicContact CG-CG 4.41Å; P944-F1046 HydrophobicContact CG-CZ 3.75Å; K1042-F1046 WeakPolarHBondContact O-CB 3.23Å; K1042-F1046 PolarHBondContact O-N 3.11Å; Q1043-F1046 PolarHBondContact O-N 3Å; L1044-F1046 VanDerWaalsContact C-N 3.25Å; L1044-F1046 PolarHBondContact O-N 3.04Å; F1046-A1050 HydrophobicContact CD2-CB 3.62Å; F1046-A1050 HydrophobicContact CE2-CB 3.82Å; F1046-A1050 HydrophobicContact CG-CB 4.45Å; F1046-A1050 WeakPolarHBondContact O-CA 3.39Å; F1046-A1050 VanDerWaalsContact O-CB 3.32Å; F1046-A1050 WeakPolarHBondContact O-CB 3.5Å; F1046-A1050 PolarHBondContact O-N 3.33Å; F1046-V1051 HydrophobicContact CD1-CG2 3.91Å; F1046-V1051 HydrophobicContact CE1-CG2 3.53Å; F1046-V1051 HydrophobicContact CE2-CG2 4.5Å; F1046-V1051 HydrophobicContact CZ-CG2 3.86Å; F1046-V1051 PolarHBondContact O-N 3.02Å |
| 1047 | M | 92.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -62.6 | -48.9 | 177.2 | -67.6 | -58.9 | -63.3 | 0 | 0 | 111.3 | Q1043 L1044 V1051 L1052 I1121 I1124 | Q1043-M1047 VanDerWaalsContact O-CG 3.31Å; Q1043-M1047 WeakPolarHBondContact O-CG 3.45Å; Q1043-M1047 PolarHBondContact O-N 3.11Å; L1044-M1047 PolarHBondContact O-N 3.47Å; M1047-V1051 WeakPolarHBondContact O-CB 3.42Å; M1047-V1051 HydrophobicContact SD-CG2 3.97Å; M1047-L1052 PolarHBondContact O-N 3.4Å; M1047-L1052 VanDerWaalsContact O-N 3.08Å; M1047-I1121 HydrophobicContact CB-CG2 4.03Å; M1047-I1121 HydrophobicContact CE-CD1 3.87Å; M1047-I1124 HydrophobicContact CE-CB 4.37Å; M1047-I1124 HydrophobicContact CE-CD1 3.99Å; M1047-I1124 HydrophobicContact CE-CG2 3.85Å |
| 1048 | E | 90.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -79.9 | -30.1 | -172.6 | -64.1 | -165.9 | 134.9 | 0 | 0 | 115 | L1044 L1052 I1121 R1211 | L1044-E1048 HydrophobicContact CD1-CG 4.15Å; L1044-E1048 WeakPolarHBondContact O-CG 3.36Å; L1044-E1048 PolarHBondContact O-N 3.44Å; E1048-L1052 WeakPolarHBondContact O-CB 3.4Å; E1048-L1052 WeakPolarHBondContact O-CD2 3.34Å; E1048-I1121 HydrophobicContact CG-CG2 4.01Å; E1048-R1211 IonicContact OE1-CZ 2.74Å; E1048-R1211 IonicContact OE1-NH1 3.91Å; E1048-R1211 PolarHBondContact OE1-NH1 3.25Å; E1048-R1211 IonicContact OE1-NH2 2.86Å; E1048-R1211 PolarHBondContact OE1-NH2 3.25Å; E1048-R1211 IonicContact OE2-CZ 3.69Å; E1048-R1211 IonicContact OE2-NH1 3.32Å; E1048-R1211 PolarHBondContact OE2-NH1 2.91Å; E1048-R1211 IonicContact OE2-NH2 3.05Å |
| 1049 | S | 88.9 | Confident | 90.4 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -97.4 | -59.5 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | V1045 T1053 | V1045-S1049 WeakPolarHBondContact O-CB 3.31Å; V1045-S1049 PolarHBondContact O-N 3.43Å; S1049-T1053 WeakPolarHBondContact O-CB 3.45Å; S1049-T1053 PolarHBondContact O-N 2.81Å; S1049-T1053 PolarHBondContact O-OG1 3.12Å |
| 1050 | A | 88.3 | Confident | 89.5 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -78.7 | -46.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1046 E1054 | F1046-A1050 HydrophobicContact CD2-CB 3.62Å; F1046-A1050 HydrophobicContact CE2-CB 3.82Å; F1046-A1050 HydrophobicContact CG-CB 4.45Å; F1046-A1050 WeakPolarHBondContact O-CA 3.39Å; F1046-A1050 VanDerWaalsContact O-CB 3.32Å; F1046-A1050 WeakPolarHBondContact O-CB 3.5Å; F1046-A1050 PolarHBondContact O-N 3.33Å; A1050-E1054 WeakPolarHBondContact O-CB 3.09Å; A1050-E1054 PolarHBondContact O-N 3.4Å; A1050-E1054 VanDerWaalsContact O-N 3.09Å |
| 1051 | V | 90 | Very high | 88.8 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -70.7 | -46.5 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | F1046 M1047 T1053 E1054 L1055 I1121 | F1046-V1051 HydrophobicContact CD1-CG2 3.91Å; F1046-V1051 HydrophobicContact CE1-CG2 3.53Å; F1046-V1051 HydrophobicContact CE2-CG2 4.5Å; F1046-V1051 HydrophobicContact CZ-CG2 3.86Å; F1046-V1051 PolarHBondContact O-N 3.02Å; M1047-V1051 WeakPolarHBondContact O-CB 3.42Å; M1047-V1051 HydrophobicContact SD-CG2 3.97Å; V1051-T1053 VanDerWaalsContact C-N 3.35Å; V1051-T1053 PolarHBondContact O-N 2.98Å; V1051-E1054 PolarHBondContact O-N 3.02Å; V1051-E1054 VanDerWaalsContact O-N 3.08Å; V1051-L1055 HydrophobicContact CG1-CD1 4.32Å; V1051-L1055 HydrophobicContact CG1-CG 4.35Å; V1051-L1055 WeakPolarHBondContact O-CG 3.43Å; V1051-L1055 PolarHBondContact O-N 3.34Å; V1051-I1121 HydrophobicContact CB-CD1 4.22Å; V1051-I1121 HydrophobicContact CG1-CD1 3.78Å |
| 1052 | L | 88.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 175 | -177.2 | 59.2 | 0 | 0 | 0 | 112 | M1047 E1048 E1054 L1055 K1056 E1117 A1118 I1121 | M1047-L1052 PolarHBondContact O-N 3.4Å; M1047-L1052 VanDerWaalsContact O-N 3.08Å; E1048-L1052 WeakPolarHBondContact O-CB 3.4Å; E1048-L1052 WeakPolarHBondContact O-CD2 3.34Å; L1052-E1054 VanDerWaalsContact C-N 3.27Å; L1052-E1054 PolarHBondContact O-N 3.5Å; L1052-L1055 PolarHBondContact O-N 2.72Å; L1052-K1056 WeakPolarHBondContact O-CG 3.49Å; L1052-K1056 PolarHBondContact O-N 3.12Å; L1052-E1117 HydrophobicContact CD1-CB 3.71Å; L1052-A1118 HydrophobicContact CD1-CB 4.34Å; L1052-A1118 HydrophobicContact CD2-CB 4.28Å; L1052-I1121 HydrophobicContact CB-CG1 4.33Å; L1052-I1121 HydrophobicContact CD1-CG1 4.27Å |
| 1053 | T | 86.1 | Confident | 87.3 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 112 | S1049 V1051 R1057 | S1049-T1053 WeakPolarHBondContact O-CB 3.45Å; S1049-T1053 PolarHBondContact O-N 2.81Å; S1049-T1053 PolarHBondContact O-OG1 3.12Å; V1051-T1053 VanDerWaalsContact C-N 3.35Å; V1051-T1053 PolarHBondContact O-N 2.98Å; T1053-R1057 WeakPolarHBondContact O-CB 3.48Å; T1053-R1057 PolarHBondContact O-N 3.05Å |
| 1054 | E | 86.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 177.5 | 175.4 | 60.2 | -164.6 | 0 | 0 | 112.9 | P897 A1050 V1051 L1052 R1057 R1058 | P897-E1054 WeakPolarHBondContact CD-OE2 3.3Å; A1050-E1054 WeakPolarHBondContact O-CB 3.09Å; A1050-E1054 PolarHBondContact O-N 3.4Å; A1050-E1054 VanDerWaalsContact O-N 3.09Å; V1051-E1054 PolarHBondContact O-N 3.02Å; V1051-E1054 VanDerWaalsContact O-N 3.08Å; L1052-E1054 VanDerWaalsContact C-N 3.27Å; L1052-E1054 PolarHBondContact O-N 3.5Å; E1054-R1057 PolarHBondContact O-N 3.5Å; E1054-R1057 IonicContact OE1-CZ 3.17Å; E1054-R1057 IonicContact OE1-NE 3.11Å; E1054-R1057 IonicContact OE1-NH2 3.67Å; E1054-R1057 PolarHBondContact OE1-NH2 2.91Å; E1054-R1057 IonicContact OE2-CZ 2.76Å; E1054-R1057 IonicContact OE2-NE 2.66Å; E1054-R1057 PolarHBondContact OE2-NE 3.49Å; E1054-R1057 IonicContact OE2-NH2 3.39Å; E1054-R1057 PolarHBondContact OE2-NH2 3.5Å; E1054-R1058 WeakPolarHBondContact O-CG 3.48Å; E1054-R1058 PolarHBondContact O-N 2.82Å; E1054-R1058 IonicContact OE1-CZ 3.27Å; E1054-R1058 IonicContact OE1-NE 3.88Å; E1054-R1058 PolarHBondContact OE1-NE 3.39Å; E1054-R1058 IonicContact OE1-NH2 3.97Å; E1054-R1058 PolarHBondContact OE1-NH2 2.82Å |
| 1055 | L | 86.4 | Confident | 85.7 | Confident | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 172.2 | -70.4 | 177.1 | 0 | 0 | 0 | 110.2 | V1051 L1052 R1057 R1058 S1059 E1117 Y1120 I1121 | V1051-L1055 HydrophobicContact CG1-CD1 4.32Å; V1051-L1055 HydrophobicContact CG1-CG 4.35Å; V1051-L1055 WeakPolarHBondContact O-CG 3.43Å; V1051-L1055 PolarHBondContact O-N 3.34Å; L1052-L1055 PolarHBondContact O-N 2.72Å; L1055-R1057 VanDerWaalsContact C-N 3.29Å; L1055-R1057 PolarHBondContact O-N 3.44Å; L1055-R1058 WeakPolarHBondContact O-CA 3.49Å; L1055-R1058 WeakPolarHBondContact O-CB 3.49Å; L1055-R1058 PolarHBondContact O-N 3.24Å; L1055-S1059 PolarHBondContact O-N 3.31Å; L1055-E1117 HydrophobicContact CB-CG 4.49Å; L1055-E1117 WeakPolarHBondContact CB-OE2 3.34Å; L1055-Y1120 HydrophobicContact CD1-CD1 4.37Å; L1055-I1121 HydrophobicContact CD1-CD1 4Å; L1055-I1121 HydrophobicContact CD1-CG1 4.27Å |
| 1056 | K | 85.1 | Confident | 85 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.2 | -45.9 | 175.4 | -70.2 | -173.9 | 177.9 | -158.9 | 0 | 111.8 | L1052 R1058 S1059 L1060 D1114 E1117 | L1052-K1056 WeakPolarHBondContact O-CG 3.49Å; L1052-K1056 PolarHBondContact O-N 3.12Å; K1056-R1058 VanDerWaalsContact C-N 3.33Å; K1056-R1058 PolarHBondContact O-N 2.73Å; K1056-S1059 PolarHBondContact O-N 3.44Å; K1056-L1060 WeakPolarHBondContact O-CB 3.34Å; K1056-L1060 WeakPolarHBondContact O-CG 3.46Å; K1056-L1060 PolarHBondContact O-N 3.45Å; K1056-D1114 WeakPolarHBondContact CD-OD1 3.46Å; K1056-D1114 VanDerWaalsContact CE-CG 3.45Å; K1056-D1114 VanDerWaalsContact CE-OD1 3.31Å; K1056-D1114 WeakPolarHBondContact CE-OD1 3.39Å; K1056-D1114 IonicContact NZ-OD1 3.78Å; K1056-D1114 PolarHBondContact NZ-OD1 3.22Å; K1056-D1114 IonicContact NZ-OD2 2.73Å; K1056-D1114 PolarHBondContact NZ-OD2 3.27Å; K1056-E1117 VanDerWaalsContact CA-OE2 3.25Å; K1056-E1117 WeakPolarHBondContact CA-OE2 3.35Å; K1056-E1117 WeakPolarHBondContact CG-OE2 3.43Å; K1056-E1117 PolarHBondContact N-OE2 3.49Å |
| 1057 | R | 83.9 | Confident | 84 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.4 | -166 | -165.8 | 67.4 | 72.4 | 11.4 | 112.1 | L894 T1053 E1054 L1055 I1061 | L894-R1057 HydrophobicContact CB-CG 3.83Å; L894-R1057 HydrophobicContact CD2-CB 4.39Å; L894-R1057 HydrophobicContact CD2-CG 3.81Å; L894-R1057 HydrophobicContact CG-CG 4.3Å; T1053-R1057 WeakPolarHBondContact O-CB 3.48Å; T1053-R1057 PolarHBondContact O-N 3.05Å; E1054-R1057 PolarHBondContact O-N 3.5Å; E1054-R1057 IonicContact OE1-CZ 3.17Å; E1054-R1057 IonicContact OE1-NE 3.11Å; E1054-R1057 IonicContact OE1-NH2 3.67Å; E1054-R1057 PolarHBondContact OE1-NH2 2.91Å; E1054-R1057 IonicContact OE2-CZ 2.76Å; E1054-R1057 IonicContact OE2-NE 2.66Å; E1054-R1057 PolarHBondContact OE2-NE 3.49Å; E1054-R1057 IonicContact OE2-NH2 3.39Å; E1054-R1057 PolarHBondContact OE2-NH2 3.5Å; L1055-R1057 VanDerWaalsContact C-N 3.29Å; L1055-R1057 PolarHBondContact O-N 3.44Å; R1057-I1061 HydrophobicContact CG-CD1 4.45Å; R1057-I1061 WeakPolarHBondContact O-CD1 3.3Å; R1057-I1061 VanDerWaalsContact O-CG1 3.27Å; R1057-I1061 WeakPolarHBondContact O-CG1 3.26Å; R1057-I1061 PolarHBondContact O-N 3.12Å |
| 1058 | R | 85 | Confident | 83.1 | Confident | 146 Ų | 146 | 69.8 Ų | 69.8 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | 178.2 | -71.3 | 177.4 | -173.2 | -165.9 | 6.7 | 111.9 | E1054 L1055 K1056 I1061 Q1062 | E1054-R1058 WeakPolarHBondContact O-CG 3.48Å; E1054-R1058 PolarHBondContact O-N 2.82Å; E1054-R1058 IonicContact OE1-CZ 3.27Å; E1054-R1058 IonicContact OE1-NE 3.88Å; E1054-R1058 PolarHBondContact OE1-NE 3.39Å; E1054-R1058 IonicContact OE1-NH2 3.97Å; E1054-R1058 PolarHBondContact OE1-NH2 2.82Å; L1055-R1058 WeakPolarHBondContact O-CA 3.49Å; L1055-R1058 WeakPolarHBondContact O-CB 3.49Å; L1055-R1058 PolarHBondContact O-N 3.24Å; K1056-R1058 VanDerWaalsContact C-N 3.33Å; K1056-R1058 PolarHBondContact O-N 2.73Å; R1058-I1061 PolarHBondContact O-N 2.82Å; R1058-Q1062 WeakPolarHBondContact O-CB 3.02Å; R1058-Q1062 PolarHBondContact O-N 3.41Å |
| 1059 | S | 82.7 | Confident | 82 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 111 | L1055 K1056 I1061 Q1062 E1063 E1117 | L1055-S1059 PolarHBondContact O-N 3.31Å; K1056-S1059 PolarHBondContact O-N 3.44Å; S1059-I1061 VanDerWaalsContact C-N 3.33Å; S1059-I1061 PolarHBondContact O-N 3.47Å; S1059-Q1062 CarbonylContact O-C 3.52Å; S1059-Q1062 WeakPolarHBondContact O-CA 3.41Å; S1059-Q1062 VanDerWaalsContact O-CB 3.32Å; S1059-Q1062 WeakPolarHBondContact O-CB 3.32Å; S1059-Q1062 PolarHBondContact O-N 2.87Å; S1059-E1063 PolarHBondContact O-N 2.71Å; S1059-E1117 VanDerWaalsContact CB-OE1 3.29Å; S1059-E1117 WeakPolarHBondContact CB-OE1 3.12Å |
| 1060 | L | 80.8 | Confident | 80.7 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 175.7 | -72.3 | 169.4 | 0 | 0 | 0 | 113.4 | L894 K1056 Q1062 E1063 D1064 | L894-L1060 HydrophobicContact CD1-CB 3.96Å; L894-L1060 HydrophobicContact CD1-CD1 4.34Å; L894-L1060 HydrophobicContact CD2-CD1 3.92Å; K1056-L1060 WeakPolarHBondContact O-CB 3.34Å; K1056-L1060 WeakPolarHBondContact O-CG 3.46Å; K1056-L1060 PolarHBondContact O-N 3.45Å; L1060-Q1062 VanDerWaalsContact C-N 3.31Å; L1060-E1063 PolarHBondContact O-N 3.31Å; L1060-D1064 WeakPolarHBondContact O-CB 3.21Å; L1060-D1064 PolarHBondContact O-N 3.12Å |
| 1061 | I | 81 | Confident | 79.2 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 174.9 | -72.4 | 168 | 0 | 0 | 0 | 110.9 | L894 R1057 R1058 S1059 R1065 | L894-I1061 HydrophobicContact CD1-CG1 4.32Å; R1057-I1061 HydrophobicContact CG-CD1 4.45Å; R1057-I1061 WeakPolarHBondContact O-CD1 3.3Å; R1057-I1061 VanDerWaalsContact O-CG1 3.27Å; R1057-I1061 WeakPolarHBondContact O-CG1 3.26Å; R1057-I1061 PolarHBondContact O-N 3.12Å; R1058-I1061 PolarHBondContact O-N 2.82Å; S1059-I1061 VanDerWaalsContact C-N 3.33Å; S1059-I1061 PolarHBondContact O-N 3.47Å; I1061-R1065 WeakPolarHBondContact O-CB 3.35Å; I1061-R1065 WeakPolarHBondContact O-CG 3.36Å; I1061-R1065 PolarHBondContact O-N 3.06Å |
| 1062 | Q | 80.6 | Confident | 77.4 | Confident | 126 Ų | 126 | 87.3 Ų | 87.3 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | 176.6 | -172 | 166.9 | -12 | 0 | 0 | 110.9 | R1058 S1059 L1060 R1065 D1066 | R1058-Q1062 WeakPolarHBondContact O-CB 3.02Å; R1058-Q1062 PolarHBondContact O-N 3.41Å; S1059-Q1062 CarbonylContact O-C 3.52Å; S1059-Q1062 WeakPolarHBondContact O-CA 3.41Å; S1059-Q1062 VanDerWaalsContact O-CB 3.32Å; S1059-Q1062 WeakPolarHBondContact O-CB 3.32Å; S1059-Q1062 PolarHBondContact O-N 2.87Å; L1060-Q1062 VanDerWaalsContact C-N 3.31Å; Q1062-R1065 PolarHBondContact O-N 2.81Å; Q1062-D1066 PolarHBondContact O-N 3.43Å |
| 1063 | E | 79.5 | Confident | 75.8 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.4 | -69.7 | -173.1 | 163.4 | 0 | 0 | 113.1 | S1059 L1060 R1065 D1066 S1067 | S1059-E1063 PolarHBondContact O-N 2.71Å; L1060-E1063 PolarHBondContact O-N 3.31Å; E1063-R1065 VanDerWaalsContact C-N 3.32Å; E1063-R1065 PolarHBondContact O-N 3.31Å; E1063-D1066 PolarHBondContact O-N 3.32Å; E1063-S1067 WeakPolarHBondContact O-CB 3.4Å; E1063-S1067 PolarHBondContact O-N 3.46Å; E1063-S1067 PolarHBondContact O-OG 3.49Å |
| 1064 | D | 78.1 | Confident | 74 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 174.9 | -177.6 | 53.1 | 0 | 0 | 0 | 111.5 | L1060 S1067 K1068 | L1060-D1064 WeakPolarHBondContact O-CB 3.21Å; L1060-D1064 PolarHBondContact O-N 3.12Å; D1064-S1067 VanDerWaalsContact CA-OG 3.26Å; D1064-S1067 WeakPolarHBondContact CA-OG 3.46Å; D1064-S1067 PolarHBondContact O-OG 3.02Å; D1064-K1068 VanDerWaalsContact O-CB 3.3Å; D1064-K1068 WeakPolarHBondContact O-CB 3.4Å; D1064-K1068 VanDerWaalsContact O-CG 3.26Å; D1064-K1068 WeakPolarHBondContact O-CG 3.42Å; D1064-K1068 PolarHBondContact O-N 3.47Å; D1064-K1068 WeakPolarHBondContact OD1-CE 3.3Å; D1064-K1068 IonicContact OD1-NZ 2.71Å; D1064-K1068 VanDerWaalsContact OD2-CE 3.27Å; D1064-K1068 WeakPolarHBondContact OD2-CE 3.37Å; D1064-K1068 IonicContact OD2-NZ 3.25Å; D1064-K1068 PolarHBondContact OD2-NZ 3.33Å |
| 1065 | R | 79 | Confident | 72.2 | Confident | 161 Ų | 161 | 103.4 Ų | 103.4 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.5 | -39.4 | 174.4 | -72.4 | 178.9 | 92.7 | -170.8 | 7.2 | 111.9 | I1061 Q1062 E1063 R1069 | I1061-R1065 WeakPolarHBondContact O-CB 3.35Å; I1061-R1065 WeakPolarHBondContact O-CG 3.36Å; I1061-R1065 PolarHBondContact O-N 3.06Å; Q1062-R1065 PolarHBondContact O-N 2.81Å; E1063-R1065 VanDerWaalsContact C-N 3.32Å; E1063-R1065 PolarHBondContact O-N 3.31Å; R1065-R1069 WeakPolarHBondContact O-CG 3.49Å; R1065-R1069 PolarHBondContact O-N 3.33Å |
| 1066 | D | 79 | Confident | 70.2 | Confident | 67 Ų | 67 | 106.7 Ų | 106.7 | 36% | 0.358 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.5 | -36.8 | 179.7 | -73.9 | -21.4 | 0 | 0 | 0 | 112.5 | Q1062 E1063 R1069 K1070 | Q1062-D1066 PolarHBondContact O-N 3.43Å; E1063-D1066 PolarHBondContact O-N 3.32Å; D1066-R1069 PolarHBondContact O-N 3.47Å; D1066-R1069 IonicContact OD1-NH1 3.64Å; D1066-K1070 WeakPolarHBondContact O-CG 3.43Å; D1066-K1070 PolarHBondContact O-N 2.79Å |
| 1067 | S | 72.8 | Confident | 68.6 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 171.7 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | E1063 D1064 R1069 K1070 S1071 | E1063-S1067 WeakPolarHBondContact O-CB 3.4Å; E1063-S1067 PolarHBondContact O-N 3.46Å; E1063-S1067 PolarHBondContact O-OG 3.49Å; D1064-S1067 VanDerWaalsContact CA-OG 3.26Å; D1064-S1067 WeakPolarHBondContact CA-OG 3.46Å; D1064-S1067 PolarHBondContact O-OG 3.02Å; S1067-R1069 VanDerWaalsContact C-N 3.34Å; S1067-R1069 PolarHBondContact O-N 3.08Å; S1067-K1070 PolarHBondContact O-N 3.26Å; S1067-S1071 PolarHBondContact O-N 3.01Å |
| 1068 | K | 72.1 | Confident | 66.6 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 170.4 | -76.7 | 171.2 | -179.9 | 163.7 | 0 | 113.2 | D1064 S1071 K1072 | D1064-K1068 VanDerWaalsContact O-CB 3.3Å; D1064-K1068 WeakPolarHBondContact O-CB 3.4Å; D1064-K1068 VanDerWaalsContact O-CG 3.26Å; D1064-K1068 WeakPolarHBondContact O-CG 3.42Å; D1064-K1068 PolarHBondContact O-N 3.47Å; D1064-K1068 WeakPolarHBondContact OD1-CE 3.3Å; D1064-K1068 IonicContact OD1-NZ 2.71Å; D1064-K1068 VanDerWaalsContact OD2-CE 3.27Å; D1064-K1068 WeakPolarHBondContact OD2-CE 3.37Å; D1064-K1068 IonicContact OD2-NZ 3.25Å; D1064-K1068 PolarHBondContact OD2-NZ 3.33Å; K1068-S1071 PolarHBondContact O-OG 2.91Å; K1068-K1072 PolarHBondContact O-N 3.33Å |
| 1069 | R | 68.7 | Low | 64.6 | Low | 170 Ų | 170 | 119 Ų | 119 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.7 | -42.8 | 172.7 | -78 | 171.8 | 168.1 | -178.3 | -4.8 | 111.7 | R1065 D1066 S1067 K1072 S1073 | R1065-R1069 WeakPolarHBondContact O-CG 3.49Å; R1065-R1069 PolarHBondContact O-N 3.33Å; D1066-R1069 PolarHBondContact O-N 3.47Å; D1066-R1069 IonicContact OD1-NH1 3.64Å; S1067-R1069 VanDerWaalsContact C-N 3.34Å; S1067-R1069 PolarHBondContact O-N 3.08Å; R1069-K1072 PolarHBondContact O-N 3.35Å; R1069-S1073 PolarHBondContact O-N 3.36Å |
| 1070 | K | 61.6 | Low | 62.7 | Low | 164 Ų | 164 | 121.8 Ų | 121.8 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 176 | -73.2 | 178.1 | -179 | 174.8 | 0 | 112.6 | D1066 S1067 S1073 R1074 | D1066-K1070 WeakPolarHBondContact O-CG 3.43Å; D1066-K1070 PolarHBondContact O-N 2.79Å; S1067-K1070 PolarHBondContact O-N 3.26Å; K1070-S1073 WeakPolarHBondContact O-CB 3.35Å; K1070-S1073 PolarHBondContact O-N 2.86Å; K1070-R1074 PolarHBondContact O-N 2.76Å |
| 1071 | S | 56 | Low | 60.6 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -36.1 | 178.4 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | S1067 K1068 S1073 R1074 K1075 | S1067-S1071 PolarHBondContact O-N 3.01Å; K1068-S1071 PolarHBondContact O-OG 2.91Å; S1071-S1073 VanDerWaalsContact C-N 3.35Å; S1071-R1074 PolarHBondContact O-N 3.45Å; S1071-K1075 PolarHBondContact O-N 3.41Å |
| 1072 | K | 52.9 | Low | 58.3 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.1 | -36.8 | 172.3 | -76.1 | -178.8 | 178.1 | 176.4 | 0 | 112.3 | K1068 R1069 R1074 K1075 N1076 | K1068-K1072 PolarHBondContact O-N 3.33Å; R1069-K1072 PolarHBondContact O-N 3.35Å; K1072-R1074 VanDerWaalsContact C-N 3.34Å; K1072-R1074 PolarHBondContact O-N 2.94Å; K1072-K1075 PolarHBondContact O-N 2.96Å; K1072-N1076 PolarHBondContact O-N 3.15Å |
| 1073 | S | 53.6 | Low | 56.1 | Low | 73 Ų | 73 | 133.2 Ų | 133.2 | 51% | 0.51 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.9 | -40.9 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | R1069 K1070 S1071 K1075 N1076 I1077 | R1069-S1073 PolarHBondContact O-N 3.36Å; K1070-S1073 WeakPolarHBondContact O-CB 3.35Å; K1070-S1073 PolarHBondContact O-N 2.86Å; S1071-S1073 VanDerWaalsContact C-N 3.35Å; S1073-K1075 PolarHBondContact O-N 3.45Å; S1073-N1076 PolarHBondContact O-N 3.05Å; S1073-I1077 PolarHBondContact O-N 3.45Å |
| 1074 | R | 49.6 | Very low | 54.1 | Low | 211 Ų | 211 | 135.3 Ų | 135.3 | 80% | 0.796 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.7 | -31.7 | 176.5 | -93.6 | -179.3 | 174.6 | 158.6 | -1.1 | 114 | K1070 S1071 K1072 | K1070-R1074 PolarHBondContact O-N 2.76Å; S1071-R1074 PolarHBondContact O-N 3.45Å; K1072-R1074 VanDerWaalsContact C-N 3.34Å; K1072-R1074 PolarHBondContact O-N 2.94Å |
| 1075 | K | 47.9 | Very low | 51.9 | Low | 171 Ų | 171 | 140 Ų | 140 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.4 | -36 | 175.3 | -87.2 | -175.3 | 176.5 | 176.7 | 0 | 112.6 | S1071 K1072 S1073 I1077 R1078 | S1071-K1075 PolarHBondContact O-N 3.41Å; K1072-K1075 PolarHBondContact O-N 2.96Å; S1073-K1075 PolarHBondContact O-N 3.45Å; K1075-I1077 VanDerWaalsContact C-N 3.29Å; K1075-I1077 PolarHBondContact O-N 3.17Å; K1075-R1078 PolarHBondContact O-N 2.98Å |
| 1076 | N | 45.2 | Very low | 49.4 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.1 | -24.8 | 179.2 | -79.7 | 1.2 | 0 | 0 | 0 | 113.7 | K1072 S1073 | K1072-N1076 PolarHBondContact O-N 3.15Å; S1073-N1076 PolarHBondContact O-N 3.05Å |
| 1077 | I | 50.2 | Low | 47.1 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.7 | -21.4 | 175.6 | -70.5 | 171.5 | 0 | 0 | 0 | 112.6 | S1073 K1075 S1080 | S1073-I1077 PolarHBondContact O-N 3.45Å; K1075-I1077 VanDerWaalsContact C-N 3.29Å; K1075-I1077 PolarHBondContact O-N 3.17Å; I1077-S1080 PolarHBondContact O-OG 3.15Å |
| 1078 | R | 43.2 | Very low | 45 | Very low | 216 Ų | 216 | 146.7 Ų | 146.7 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.7 | -22 | 176.6 | -95.4 | -176.3 | 172.6 | 174.4 | -1.7 | 114.2 | K1075 S1080 | K1075-R1078 PolarHBondContact O-N 2.98Å; R1078-S1080 VanDerWaalsContact C-N 3.33Å; R1078-S1080 PolarHBondContact O-N 3.05Å |
| 1079 | Q | 42.1 | Very low | 42.8 | Very low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -77 | -16.2 | 177.8 | -91.1 | -179.2 | -19.3 | 0 | 0 | 114 | R1081 | Q1079-R1081 VanDerWaalsContact C-N 3.31Å; Q1079-R1081 PolarHBondContact O-N 3.33Å |
| 1080 | S | 42.8 | Very low | 40.8 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 3.4 | 179.8 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | I1077 R1078 | I1077-S1080 PolarHBondContact O-OG 3.15Å; R1078-S1080 VanDerWaalsContact C-N 3.33Å; R1078-S1080 PolarHBondContact O-N 3.05Å |
| 1081 | R | 37.1 | Very low | 39.3 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 10 | 179.8 | -91.3 | -175.7 | 164.3 | 165 | -3.5 | 116.3 | Q1079 | Q1079-R1081 VanDerWaalsContact C-N 3.31Å; Q1079-R1081 PolarHBondContact O-N 3.33Å |
| 1082 | M | 32.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 36.5 | 176.8 | -73.2 | -165.1 | 65.5 | 0 | 0 | 114.4 | ||
| 1083 | S | 35.2 | Very low | 36.6 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 14.8 | 168 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1084 | V | 36.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -112.2 | 91.1 | 166.9 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1085 | M | 31.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 84% | 0.837 | 76% | 0.762 | S | S | * | * | trans | 27 | 123.7 | 142.4 | -149.2 | 74.9 | 140.9 | 0 | 0 | 119 | ||||
| 1086 | E | 26.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -44.3 | 132.8 | 169.1 | -61.6 | 164.5 | 147.6 | 0 | 0 | 114.8 | ||||
| 1087 | N | 32.1 | Very low | 33 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -168 | 99 | 136.7 | -106.6 | -8.8 | 0 | 0 | 0 | 111.4 | ||||
| 1088 | S | 27.4 | Very low | 32 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 41.2 | 116.7 | 130.6 | -50.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1089 | V | 26.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | 73.4 | 101.6 | 128.3 | -177.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1090 | N | 28.2 | Very low | 31.1 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | 167.4 | 128.9 | 109.6 | -103.5 | -11.7 | 0 | 0 | 0 | 114.6 | |||||
| 1091 | V | 28.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | 61.1 | 93 | 131.7 | -173.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1092 | S | 25.2 | Very low | 31 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | 7.8 | 115 | 123.5 | 51 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1093 | S | 27.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -176.6 | 130.9 | 140.5 | -79.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1094 | G | 30.2 | Very low | 31.7 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 142.3 | 70.3 | 169 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1096 | G1094-T1096 PolarHBondContact O-N 3.2Š| ||
| 1095 | I | 28.6 | Very low | 31.7 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 114.6 | 168.8 | -66.3 | 158.2 | 0 | 0 | 0 | 108.6 | T1097 | I1095-T1097 HydrophobicContact CG2-CG2 4.19Š| ||
| 1096 | T | 30.8 | Very low | 32.3 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -114.3 | 105.6 | 156.4 | 54.4 | 0 | 0 | 0 | 0 | 107.7 | G1094 G1098 | G1094-T1096 PolarHBondContact O-N 3.2Å; T1096-G1098 PolarHBondContact O-N 3.46Å | ||
| 1097 | T | 30.1 | Very low | 33.4 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | -56.5 | 95.7 | 168 | 43 | 0 | 0 | 0 | 0 | 110.2 | I1095 | I1095-T1097 HydrophobicContact CG2-CG2 4.19Š| ||
| 1098 | G | 30.5 | Very low | 33.9 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | trans | -128 | 90.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | T1096 P1100 | T1096-G1098 PolarHBondContact O-N 3.46Å; G1098-P1100 WeakPolarHBondContact O-CD 3.31Å | ||
| 1099 | Q | 30.4 | Very low | 35 | Very low | 186 Ų | 186 | 118.8 Ų | 118.8 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 121 | 170.8 | -80.2 | 174.9 | -44.7 | 0 | 0 | 108.2 | T1101 | Q1099-T1101 PolarHBondContact O-N 2.87Š| ||
| 1100 | P | 35.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -78.8 | 111.1 | 173.6 | 28.1 | -24.1 | 0 | 0 | 0 | 108.8 | G1098 V1102 | G1098-P1100 WeakPolarHBondContact O-CD 3.31Å; P1100-V1102 HydrophobicContact CB-CG2 4.05Å; P1100-V1102 PolarHBondContact O-N 3.41Å | ||
| 1101 | T | 36.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 111.9 Ų | 111.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -70.4 | 53.7 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | Q1099 | Q1099-T1101 PolarHBondContact O-N 2.87Š| ||
| 1102 | V | 42.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 109.4 Ų | 109.4 | 61% | 0.606 | 68% | 0.679 | S | S | * | * | trans | -97.4 | -11.2 | -173 | 178.9 | 0 | 0 | 0 | 0 | 113.3 | P1100 S1106 | P1100-V1102 HydrophobicContact CB-CG2 4.05Å; P1100-V1102 PolarHBondContact O-N 3.41Å; V1102-S1106 PolarHBondContact O-OG 2.87Å | ||
| 1103 | D | 41.6 | Very low | 40.9 | Very low | 147 Ų | 147 | 105.6 Ų | 105.6 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.7 | -23.4 | -175.1 | -76.3 | -21.5 | 0 | 0 | 0 | 114.6 | S1106 | D1103-S1106 PolarHBondContact O-OG 2.92Å; D1103-S1106 VanDerWaalsContact O-OG 3.09Å |
| 1104 | E | 39.9 | Very low | 42.7 | Very low | 164 Ų | 164 | 102.6 Ų | 102.6 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.6 | -35.4 | -178.9 | -77.5 | -176.4 | 167.7 | 0 | 0 | 114.3 | S1106 G1107 L1108 | E1104-S1106 VanDerWaalsContact C-N 3.3Å; E1104-S1106 PolarHBondContact O-N 3.29Å; E1104-G1107 PolarHBondContact O-N 3.31Å; E1104-L1108 PolarHBondContact O-N 3.2Å |
| 1105 | E | 38.1 | Very low | 45 | Very low | 150 Ų | 150 | 103.5 Ų | 103.5 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.8 | -32.2 | -179.9 | -81.1 | -173.5 | 162.8 | 0 | 0 | 112.3 | G1107 L1108 V1109 | E1105-G1107 VanDerWaalsContact C-N 3.31Å; E1105-G1107 PolarHBondContact O-N 2.97Å; E1105-L1108 PolarHBondContact O-N 3.29Å; E1105-V1109 WeakPolarHBondContact O-CG2 3.4Å; E1105-V1109 PolarHBondContact O-N 3.29Å |
| 1106 | S | 43.1 | Very low | 47.6 | Very low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -28.9 | 175.2 | 26.1 | 0 | 0 | 0 | 0 | 113.7 | V1102 D1103 E1104 | V1102-S1106 PolarHBondContact O-OG 2.87Å; D1103-S1106 PolarHBondContact O-OG 2.92Å; D1103-S1106 VanDerWaalsContact O-OG 3.09Å; E1104-S1106 VanDerWaalsContact C-N 3.3Å; E1104-S1106 PolarHBondContact O-N 3.29Å |
| 1107 | G | 48.5 | Very low | 50.2 | Low | 45 Ų | 45 | 95 Ų | 95 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1104 E1105 G1110 V1111 | E1104-G1107 PolarHBondContact O-N 3.31Å; E1105-G1107 VanDerWaalsContact C-N 3.31Å; E1105-G1107 PolarHBondContact O-N 2.97Å; G1107-G1110 PolarHBondContact O-N 2.92Å; G1107-V1111 PolarHBondContact O-N 3.01Å |
| 1108 | L | 43.1 | Very low | 52.9 | Low | 124 Ų | 124 | 89.5 Ų | 89.5 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -36.9 | -179.7 | -83.1 | 156.1 | 0 | 0 | 0 | 113.2 | E1104 E1105 G1110 V1111 A1112 | E1104-L1108 PolarHBondContact O-N 3.2Å; E1105-L1108 PolarHBondContact O-N 3.29Å; L1108-G1110 VanDerWaalsContact C-N 3.33Å; L1108-G1110 PolarHBondContact O-N 2.81Å; L1108-V1111 PolarHBondContact O-N 2.94Å; L1108-A1112 PolarHBondContact O-N 3.26Å; L1108-A1112 VanDerWaalsContact O-N 3.17Å |
| 1109 | V | 50.4 | Low | 55.6 | Low | 88 Ų | 88 | 90 Ų | 90 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | E1105 A1112 A1113 | E1105-V1109 WeakPolarHBondContact O-CG2 3.4Å; E1105-V1109 PolarHBondContact O-N 3.29Å; V1109-A1112 PolarHBondContact O-N 3.01Å; V1109-A1113 WeakPolarHBondContact O-CB 3.43Å; V1109-A1113 PolarHBondContact O-N 2.78Å |
| 1110 | G | 54 | Low | 58.4 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1107 L1108 A1113 D1114 | G1107-G1110 PolarHBondContact O-N 2.92Å; L1108-G1110 VanDerWaalsContact C-N 3.33Å; L1108-G1110 PolarHBondContact O-N 2.81Å; G1110-A1113 PolarHBondContact O-N 3.12Å; G1110-D1114 WeakPolarHBondContact O-CB 3.49Å; G1110-D1114 PolarHBondContact O-N 3.16Å |
| 1111 | V | 56.2 | Low | 61.1 | Low | 89 Ų | 89 | 82.4 Ų | 82.4 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 111 | G1107 L1108 A1113 D1114 D1115 | G1107-V1111 PolarHBondContact O-N 3.01Å; L1108-V1111 PolarHBondContact O-N 2.94Å; V1111-A1113 PolarHBondContact O-N 3.47Å; V1111-D1114 WeakPolarHBondContact O-CB 3.34Å; V1111-D1114 PolarHBondContact O-N 3.21Å; V1111-D1115 PolarHBondContact O-N 3.26Å |
| 1112 | A | 59.6 | Low | 63.5 | Low | 57 Ų | 57 | 81.2 Ų | 81.2 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1108 V1109 D1115 T1116 | L1108-A1112 PolarHBondContact O-N 3.26Å; L1108-A1112 VanDerWaalsContact O-N 3.17Å; V1109-A1112 PolarHBondContact O-N 3.01Å; A1112-D1115 PolarHBondContact O-N 2.9Å; A1112-T1116 WeakPolarHBondContact O-CG2 3.33Å; A1112-T1116 PolarHBondContact O-N 3.42Å |
| 1113 | A | 62.4 | Low | 65.7 | Low | 24 Ų | 24 | 81 Ų | 81 | 20% | 0.198 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1109 G1110 V1111 D1115 T1116 E1117 | V1109-A1113 WeakPolarHBondContact O-CB 3.43Å; V1109-A1113 PolarHBondContact O-N 2.78Å; G1110-A1113 PolarHBondContact O-N 3.12Å; V1111-A1113 PolarHBondContact O-N 3.47Å; A1113-D1115 VanDerWaalsContact C-N 3.26Å; A1113-D1115 PolarHBondContact O-N 2.99Å; A1113-T1116 PolarHBondContact O-N 3.4Å; A1113-T1116 VanDerWaalsContact O-N 3.14Å; A1113-T1116 PolarHBondContact O-OG1 3.38Å; A1113-E1117 PolarHBondContact O-N 3.14Å; A1113-E1117 VanDerWaalsContact O-N 3.16Å |
| 1114 | D | 66.5 | Low | 68 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 176.7 | -89 | 7.6 | 0 | 0 | 0 | 112.6 | K1056 G1110 V1111 A1118 | K1056-D1114 WeakPolarHBondContact CD-OD1 3.46Å; K1056-D1114 VanDerWaalsContact CE-CG 3.45Å; K1056-D1114 VanDerWaalsContact CE-OD1 3.31Å; K1056-D1114 WeakPolarHBondContact CE-OD1 3.39Å; K1056-D1114 IonicContact NZ-OD1 3.78Å; K1056-D1114 PolarHBondContact NZ-OD1 3.22Å; K1056-D1114 IonicContact NZ-OD2 2.73Å; K1056-D1114 PolarHBondContact NZ-OD2 3.27Å; G1110-D1114 WeakPolarHBondContact O-CB 3.49Å; G1110-D1114 PolarHBondContact O-N 3.16Å; V1111-D1114 WeakPolarHBondContact O-CB 3.34Å; V1111-D1114 PolarHBondContact O-N 3.21Å; D1114-A1118 WeakPolarHBondContact O-CB 3.17Å; D1114-A1118 PolarHBondContact O-N 3.05Å; D1114-A1118 VanDerWaalsContact O-N 3.16Å |
| 1115 | D | 77.7 | Confident | 70.4 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 176.6 | -71.7 | -22.4 | 0 | 0 | 0 | 111.6 | V1111 A1112 A1113 E1117 A1118 D1119 | V1111-D1115 PolarHBondContact O-N 3.26Å; A1112-D1115 PolarHBondContact O-N 2.9Å; A1113-D1115 VanDerWaalsContact C-N 3.26Å; A1113-D1115 PolarHBondContact O-N 2.99Å; D1115-E1117 PolarHBondContact O-N 3.16Å; D1115-A1118 PolarHBondContact O-N 3.25Å; D1115-D1119 WeakPolarHBondContact O-CB 3.38Å; D1115-D1119 VanDerWaalsContact O-CG 3.26Å; D1115-D1119 PolarHBondContact O-N 2.97Å |
| 1116 | T | 83.2 | Confident | 72.6 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 178.9 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | A1112 A1113 D1119 Y1120 | A1112-T1116 WeakPolarHBondContact O-CG2 3.33Å; A1112-T1116 PolarHBondContact O-N 3.42Å; A1113-T1116 PolarHBondContact O-N 3.4Å; A1113-T1116 VanDerWaalsContact O-N 3.14Å; A1113-T1116 PolarHBondContact O-OG1 3.38Å; T1116-D1119 PolarHBondContact O-N 3Å; T1116-Y1120 WeakPolarHBondContact O-CB 3.37Å; T1116-Y1120 PolarHBondContact O-N 3.16Å |
| 1117 | E | 85.5 | Confident | 74.6 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 176.6 | -67.1 | -176.3 | 174.1 | 0 | 0 | 111.2 | L1052 L1055 K1056 S1059 A1113 D1115 Y1120 I1121 | L1052-E1117 HydrophobicContact CD1-CB 3.71Å; L1055-E1117 HydrophobicContact CB-CG 4.49Å; L1055-E1117 WeakPolarHBondContact CB-OE2 3.34Å; K1056-E1117 VanDerWaalsContact CA-OE2 3.25Å; K1056-E1117 WeakPolarHBondContact CA-OE2 3.35Å; K1056-E1117 WeakPolarHBondContact CG-OE2 3.43Å; K1056-E1117 PolarHBondContact N-OE2 3.49Å; S1059-E1117 VanDerWaalsContact CB-OE1 3.29Å; S1059-E1117 WeakPolarHBondContact CB-OE1 3.12Å; A1113-E1117 PolarHBondContact O-N 3.14Å; A1113-E1117 VanDerWaalsContact O-N 3.16Å; D1115-E1117 PolarHBondContact O-N 3.16Å; E1117-Y1120 PolarHBondContact O-N 2.85Å; E1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; E1117-I1121 PolarHBondContact O-N 3.23Å |
| 1118 | A | 86 | Confident | 76.5 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1052 D1114 D1115 I1121 R1122 | L1052-A1118 HydrophobicContact CD1-CB 4.34Å; L1052-A1118 HydrophobicContact CD2-CB 4.28Å; D1114-A1118 WeakPolarHBondContact O-CB 3.17Å; D1114-A1118 PolarHBondContact O-N 3.05Å; D1114-A1118 VanDerWaalsContact O-N 3.16Å; D1115-A1118 PolarHBondContact O-N 3.25Å; A1118-I1121 PolarHBondContact O-N 3.07Å; A1118-R1122 WeakPolarHBondContact O-CB 3.34Å; A1118-R1122 WeakPolarHBondContact O-CG 3.25Å; A1118-R1122 PolarHBondContact O-N 2.88Å |
| 1119 | D | 87.4 | Confident | 78.7 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 172.5 | -77.5 | -28.6 | 0 | 0 | 0 | 111.4 | D1115 T1116 R1122 H1123 | D1115-D1119 WeakPolarHBondContact O-CB 3.38Å; D1115-D1119 VanDerWaalsContact O-CG 3.26Å; D1115-D1119 PolarHBondContact O-N 2.97Å; T1116-D1119 PolarHBondContact O-N 3Å; D1119-R1122 PolarHBondContact O-N 3.5Å; D1119-R1122 IonicContact OD1-CZ 2.76Å; D1119-R1122 IonicContact OD1-NH1 3.21Å; D1119-R1122 PolarHBondContact OD1-NH1 3.08Å; D1119-R1122 IonicContact OD1-NH2 3.81Å; D1119-R1122 PolarHBondContact OD1-NH2 3.45Å; D1119-H1123 WeakPolarHBondContact O-CB 3.41Å; D1119-H1123 PolarHBondContact O-N 3.29Å |
| 1120 | Y | 90.2 | Very high | 80.5 | Confident | 131 Ų | 131 | 55.7 Ų | 55.7 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.2 | 177.8 | -114.9 | 0 | 0 | 0 | 112.1 | L1055 T1116 E1117 H1123 I1124 | L1055-Y1120 HydrophobicContact CD1-CD1 4.37Å; T1116-Y1120 WeakPolarHBondContact O-CB 3.37Å; T1116-Y1120 PolarHBondContact O-N 3.16Å; E1117-Y1120 PolarHBondContact O-N 2.85Å; Y1120-H1123 WeakPolarHBondContact O-CB 3.31Å; Y1120-H1123 PolarHBondContact O-N 3.15Å; Y1120-I1124 HydrophobicContact CD1-CD1 4.08Å; Y1120-I1124 HydrophobicContact CE1-CD1 3.58Å; Y1120-I1124 HydrophobicContact CE2-CD1 4.22Å; Y1120-I1124 HydrophobicContact CE2-CG1 4.39Å; Y1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; Y1120-I1124 PolarHBondContact O-N 2.85Å |
| 1121 | I | 90.3 | Very high | 81.9 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.5 | -66.7 | -68.3 | 0 | 0 | 0 | 111.2 | M1047 E1048 V1051 L1052 L1055 E1117 A1118 H1123 I1124 C1125 | M1047-I1121 HydrophobicContact CB-CG2 4.03Å; M1047-I1121 HydrophobicContact CE-CD1 3.87Å; E1048-I1121 HydrophobicContact CG-CG2 4.01Å; V1051-I1121 HydrophobicContact CB-CD1 4.22Å; V1051-I1121 HydrophobicContact CG1-CD1 3.78Å; L1052-I1121 HydrophobicContact CB-CG1 4.33Å; L1052-I1121 HydrophobicContact CD1-CG1 4.27Å; L1055-I1121 HydrophobicContact CD1-CD1 4Å; L1055-I1121 HydrophobicContact CD1-CG1 4.27Å; E1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; E1117-I1121 PolarHBondContact O-N 3.23Å; A1118-I1121 PolarHBondContact O-N 3.07Å; I1121-H1123 VanDerWaalsContact C-N 3.34Å; I1121-H1123 PolarHBondContact O-N 3.21Å; I1121-I1124 PolarHBondContact O-N 2.89Å; I1121-C1125 PolarHBondContact O-N 3.43Å; I1121-C1125 PolarHBondContact O-SG 2.89Å |
| 1122 | R | 87.1 | Confident | 83 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 174.6 | -83.8 | -174.4 | -86.2 | 107.2 | -1.7 | 111.8 | A1118 D1119 I1124 C1125 D1126 | A1118-R1122 WeakPolarHBondContact O-CB 3.34Å; A1118-R1122 WeakPolarHBondContact O-CG 3.25Å; A1118-R1122 PolarHBondContact O-N 2.88Å; D1119-R1122 PolarHBondContact O-N 3.5Å; D1119-R1122 IonicContact OD1-CZ 2.76Å; D1119-R1122 IonicContact OD1-NH1 3.21Å; D1119-R1122 PolarHBondContact OD1-NH1 3.08Å; D1119-R1122 IonicContact OD1-NH2 3.81Å; D1119-R1122 PolarHBondContact OD1-NH2 3.45Å; R1122-I1124 VanDerWaalsContact C-N 3.34Å; R1122-I1124 PolarHBondContact O-N 3.47Å; R1122-C1125 PolarHBondContact O-N 3.13Å; R1122-C1125 VanDerWaalsContact O-N 3.14Å; R1122-D1126 WeakPolarHBondContact O-CB 3.48Å; R1122-D1126 PolarHBondContact O-N 2.96Å |
| 1123 | H | 88.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.2 | -178.4 | -80.1 | 0 | 0 | 0 | 112.3 | D1119 Y1120 I1121 D1126 H1127 | D1119-H1123 WeakPolarHBondContact O-CB 3.41Å; D1119-H1123 PolarHBondContact O-N 3.29Å; Y1120-H1123 WeakPolarHBondContact O-CB 3.31Å; Y1120-H1123 PolarHBondContact O-N 3.15Å; I1121-H1123 VanDerWaalsContact C-N 3.34Å; I1121-H1123 PolarHBondContact O-N 3.21Å; H1123-D1126 PolarHBondContact O-N 3.41Å; H1123-H1127 AromaticContact CD2-CD2 3.58Å; H1123-H1127 AromaticContact CE1-CD2 3.91Å; H1123-H1127 AromaticContact CG-CD2 3.94Å; H1123-H1127 AromaticContact NE2-CD2 3.57Å; H1123-H1127 WeakPolarHBondContact O-CB 3.32Å; H1123-H1127 PolarHBondContact O-CD2 3.22Å; H1123-H1127 PolarHBondContact O-N 3.23Å |
| 1124 | I | 89.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 174.7 | -64.4 | 168.5 | 0 | 0 | 0 | 110.5 | M1047 Y1120 I1121 R1122 D1126 E1128 | M1047-I1124 HydrophobicContact CE-CB 4.37Å; M1047-I1124 HydrophobicContact CE-CD1 3.99Å; M1047-I1124 HydrophobicContact CE-CG2 3.85Å; Y1120-I1124 HydrophobicContact CD1-CD1 4.08Å; Y1120-I1124 HydrophobicContact CE1-CD1 3.58Å; Y1120-I1124 HydrophobicContact CE2-CD1 4.22Å; Y1120-I1124 HydrophobicContact CE2-CG1 4.39Å; Y1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; Y1120-I1124 PolarHBondContact O-N 2.85Å; I1121-I1124 PolarHBondContact O-N 2.89Å; R1122-I1124 VanDerWaalsContact C-N 3.34Å; R1122-I1124 PolarHBondContact O-N 3.47Å; I1124-D1126 VanDerWaalsContact C-N 3.3Å; I1124-D1126 PolarHBondContact O-N 3.43Å; I1124-E1128 HydrophobicContact CG2-CB 4Å; I1124-E1128 WeakPolarHBondContact O-CA 3.28Å; I1124-E1128 WeakPolarHBondContact O-CB 3.45Å; I1124-E1128 PolarHBondContact O-N 2.68Å |
| 1125 | C | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 178.2 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | L1044 I1121 R1122 L1129 V1173 | L1044-C1125 HydrophobicContact CD1-CB 4.48Å; I1121-C1125 PolarHBondContact O-N 3.43Å; I1121-C1125 PolarHBondContact O-SG 2.89Å; R1122-C1125 PolarHBondContact O-N 3.13Å; R1122-C1125 VanDerWaalsContact O-N 3.14Å; C1125-L1129 HydrophobicContact CB-CD1 4.35Å; C1125-V1173 HydrophobicContact CB-CG1 4.35Å; C1125-V1173 WeakPolarHBondContact O-CG1 3.49Å |
| 1126 | D | 85.6 | Confident | 86.1 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.5 | -41.8 | -178.7 | -70.4 | -26.9 | 0 | 0 | 0 | 112.2 | R1122 H1123 I1124 N1174 | R1122-D1126 WeakPolarHBondContact O-CB 3.48Å; R1122-D1126 PolarHBondContact O-N 2.96Å; H1123-D1126 PolarHBondContact O-N 3.41Å; I1124-D1126 VanDerWaalsContact C-N 3.3Å; I1124-D1126 PolarHBondContact O-N 3.43Å; D1126-N1174 WeakPolarHBondContact CA-ND2 3.42Å; D1126-N1174 PolarHBondContact O-ND2 3.4Å; D1126-N1174 VanDerWaalsContact OD1-CG 3.31Å; D1126-N1174 PolarHBondContact OD1-OD1 3.27Å |
| 1127 | H | 85.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 59 Ų | 59 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -105.9 | -27.5 | -170 | -64.4 | -77.5 | 0 | 0 | 0 | 115.2 | H1123 | H1123-H1127 AromaticContact CD2-CD2 3.58Å; H1123-H1127 AromaticContact CE1-CD2 3.91Å; H1123-H1127 AromaticContact CG-CD2 3.94Å; H1123-H1127 AromaticContact NE2-CD2 3.57Å; H1123-H1127 WeakPolarHBondContact O-CB 3.32Å; H1123-H1127 PolarHBondContact O-CD2 3.22Å; H1123-H1127 PolarHBondContact O-N 3.23Å |
| 1128 | E | 87.4 | Confident | 86.8 | Confident | 101 Ų | 101 | 58.9 Ų | 58.9 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -2.8 | -166.2 | -61.1 | -178.3 | -141 | 0 | 0 | 114.8 | I1124 L1135 | I1124-E1128 HydrophobicContact CG2-CB 4Å; I1124-E1128 WeakPolarHBondContact O-CA 3.28Å; I1124-E1128 WeakPolarHBondContact O-CB 3.45Å; I1124-E1128 PolarHBondContact O-N 2.68Å; E1128-L1135 VanDerWaalsContact C-CD1 3.42Å; E1128-L1135 VanDerWaalsContact O-CD1 3.24Å; E1128-L1135 WeakPolarHBondContact O-CD1 3.38Å; E1128-L1135 VanDerWaalsContact O-CD2 3.27Å; E1128-L1135 WeakPolarHBondContact O-CD2 3.18Å |
| 1129 | L | 88.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -45.7 | 177.3 | -67.3 | -176.8 | 0 | 0 | 0 | 114 | Q1043 C1125 V1173 | Q1043-L1129 HydrophobicContact CG-CD1 4.37Å; Q1043-L1129 HydrophobicContact CG-CD2 4.06Å; C1125-L1129 HydrophobicContact CB-CD1 4.35Å; L1129-V1173 HydrophobicContact CB-CG1 4.02Å; L1129-V1173 HydrophobicContact CD1-CG1 3.79Å |
| 1130 | L | 89.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -12.6 | -170.9 | -69.8 | 175 | 0 | 0 | 0 | 115.1 | L1137 N1138 L1141 M1170 V1173 V1177 | L1130-L1137 HydrophobicContact CD2-CB 3.46Å; L1130-L1137 VanDerWaalsContact CD2-CB 3.46Å; L1130-L1137 HydrophobicContact CD2-CD1 4.29Å; L1130-N1138 WeakPolarHBondContact O-CB 3.48Å; L1130-N1138 PolarHBondContact O-ND2 3.2Å; L1130-L1141 HydrophobicContact CD2-CB 4.39Å; L1130-M1170 HydrophobicContact CD1-CB 4.5Å; L1130-M1170 WeakPolarHBondContact CD1-O 3.4Å; L1130-M1170 HydrophobicContact CD2-CE 3.64Å; L1130-V1173 HydrophobicContact CD1-CB 3.72Å; L1130-V1173 HydrophobicContact CD1-CG1 4Å; L1130-V1173 HydrophobicContact CD1-CG2 4Å; L1130-V1173 HydrophobicContact CG-CG1 4.41Å; L1130-V1177 HydrophobicContact CB-CG2 4.09Å; L1130-V1177 HydrophobicContact CD1-CG1 4.3Å; L1130-V1177 HydrophobicContact CD1-CG2 4.27Å |
| 1131 | K | 82.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -56 | -167.6 | -170.4 | 167.3 | -179.2 | 154.2 | 0 | 113.2 | N1138 E1176 | K1131-N1138 PolarHBondContact O-ND2 3.05Å; K1131-E1176 WeakPolarHBondContact CE-OE2 3.35Å; K1131-E1176 IonicContact NZ-OE1 3.24Å; K1131-E1176 PolarHBondContact NZ-OE1 2.92Å; K1131-E1176 IonicContact NZ-OE2 3.63Å; K1131-E1176 PolarHBondContact NZ-OE2 3.31Å |
| 1132 | S | 80 | Confident | 87.8 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -71.3 | 138.2 | -176.8 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | D1134 L1135 N1138 | S1132-D1134 PolarHBondContact O-N 3.43Å; S1132-L1135 WeakPolarHBondContact O-CB 3.4Å; S1132-L1135 WeakPolarHBondContact O-CG 3.42Å; S1132-L1135 PolarHBondContact O-N 3.11Å; S1132-L1135 VanDerWaalsContact O-N 3.13Å; S1132-N1138 WeakPolarHBondContact O-CB 3.37Å |
| 1133 | P | 79.2 | Confident | 88.2 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.4 | -178.3 | 27.2 | -35.1 | 0 | 0 | 0 | 113.4 | L1135 | P1133-L1135 PolarHBondContact O-N 3.43Š|
| 1134 | D | 81 | Confident | 88.6 | Confident | 154 Ų | 154 | 50.1 Ų | 50.1 | 82% | 0.824 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -12.1 | 178.3 | -51.7 | -40.5 | 0 | 0 | 0 | 112.7 | S1132 | S1132-D1134 PolarHBondContact O-N 3.43Š|
| 1135 | L | 85.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81 | 135.8 | 179.7 | -59.6 | 168.8 | 0 | 0 | 0 | 110.7 | E1128 S1132 P1133 L1137 N1138 P1139 | E1128-L1135 VanDerWaalsContact C-CD1 3.42Å; E1128-L1135 VanDerWaalsContact O-CD1 3.24Å; E1128-L1135 WeakPolarHBondContact O-CD1 3.38Å; E1128-L1135 VanDerWaalsContact O-CD2 3.27Å; E1128-L1135 WeakPolarHBondContact O-CD2 3.18Å; S1132-L1135 WeakPolarHBondContact O-CB 3.4Å; S1132-L1135 WeakPolarHBondContact O-CG 3.42Å; S1132-L1135 PolarHBondContact O-N 3.11Å; S1132-L1135 VanDerWaalsContact O-N 3.13Å; P1133-L1135 PolarHBondContact O-N 3.43Å; L1135-L1137 PolarHBondContact O-N 2.98Å; L1135-N1138 PolarHBondContact O-N 3.29Å; L1135-N1138 VanDerWaalsContact O-N 3.09Å; L1135-P1139 WeakPolarHBondContact O-CD 3.31Å |
| 1136 | I | 85.6 | Confident | 89.2 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.7 | -174.6 | -160.9 | 167 | 0 | 0 | 0 | 113.7 | C949 L1140 | C949-I1136 HydrophobicContact CB-CD1 4.31Å; I1136-L1140 WeakPolarHBondContact O-CD1 3.39Å; I1136-L1140 WeakPolarHBondContact O-CG 3.47Å |
| 1137 | L | 91.2 | Very high | 89.7 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -83.6 | -20.9 | -177.1 | -61.9 | 178.6 | 0 | 0 | 0 | 113.2 | L952 T1040 L1130 L1135 L1140 L1141 | L952-L1137 HydrophobicContact CD1-CD2 3.98Å; T1040-L1137 HydrophobicContact CG2-CD1 4.35Å; L1130-L1137 HydrophobicContact CD2-CB 3.46Å; L1130-L1137 VanDerWaalsContact CD2-CB 3.46Å; L1130-L1137 HydrophobicContact CD2-CD1 4.29Å; L1135-L1137 PolarHBondContact O-N 2.98Å; L1137-L1140 HydrophobicContact CD2-CD1 4.19Å; L1137-L1140 CarbonylContact O-C 3.59Å; L1137-L1140 PolarHBondContact O-N 3.18Å; L1137-L1141 WeakPolarHBondContact O-CB 3.35Å; L1137-L1141 PolarHBondContact O-N 3.09Å |
| 1138 | N | 91.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -49 | -179.1 | 178.2 | -69.2 | 0 | 0 | 0 | 112.5 | L1130 K1131 S1132 L1135 L1140 L1141 N1142 | L1130-N1138 WeakPolarHBondContact O-CB 3.48Å; L1130-N1138 PolarHBondContact O-ND2 3.2Å; K1131-N1138 PolarHBondContact O-ND2 3.05Å; S1132-N1138 WeakPolarHBondContact O-CB 3.37Å; L1135-N1138 PolarHBondContact O-N 3.29Å; L1135-N1138 VanDerWaalsContact O-N 3.09Å; N1138-L1140 PolarHBondContact O-N 3.41Å; N1138-L1141 WeakPolarHBondContact O-CB 3.37Å; N1138-L1141 PolarHBondContact O-N 2.88Å; N1138-L1141 VanDerWaalsContact O-N 3.14Å; N1138-N1142 PolarHBondContact O-N 3.25Å; N1138-N1142 VanDerWaalsContact O-N 3.1Å; N1138-N1142 PolarHBondContact O-ND2 3.23Å; N1138-N1142 PolarHBondContact OD1-ND2 2.96Å |
| 1139 | P | 92 | Very high | 90.6 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -34.5 | 172.9 | -24.2 | 34 | 0 | 0 | 0 | 112.6 | L1135 N1142 F1143 | L1135-P1139 WeakPolarHBondContact O-CD 3.31Å; P1139-N1142 PolarHBondContact O-N 3Å; P1139-F1143 WeakPolarHBondContact O-CB 3.45Å; P1139-F1143 PolarHBondContact O-N 3.23Å |
| 1140 | L | 94.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 13% | 0.131 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -36.3 | 177.8 | -61.3 | 174.2 | 0 | 0 | 0 | 111.8 | L952 F1032 I1036 I1136 L1137 N1138 N1142 F1143 V1144 | L952-L1140 HydrophobicContact CD1-CD1 4.12Å; L952-L1140 HydrophobicContact CD2-CD1 4.31Å; F1032-L1140 HydrophobicContact CE1-CD2 4.23Å; F1032-L1140 HydrophobicContact CZ-CD2 3.97Å; I1036-L1140 HydrophobicContact CD1-CB 4.27Å; I1036-L1140 HydrophobicContact CD1-CD2 3.93Å; I1036-L1140 HydrophobicContact CD1-CG 4.46Å; I1036-L1140 HydrophobicContact CG1-CD1 4.2Å; I1036-L1140 HydrophobicContact CG1-CD2 4.47Å; I1036-L1140 HydrophobicContact CG2-CB 4.07Å; I1136-L1140 WeakPolarHBondContact O-CD1 3.39Å; I1136-L1140 WeakPolarHBondContact O-CG 3.47Å; L1137-L1140 HydrophobicContact CD2-CD1 4.19Å; L1137-L1140 CarbonylContact O-C 3.59Å; L1137-L1140 PolarHBondContact O-N 3.18Å; N1138-L1140 PolarHBondContact O-N 3.41Å; L1140-N1142 VanDerWaalsContact C-N 3.35Å; L1140-F1143 WeakPolarHBondContact O-CB 3.3Å; L1140-F1143 PolarHBondContact O-N 3.39Å; L1140-V1144 WeakPolarHBondContact O-CB 3.38Å; L1140-V1144 VanDerWaalsContact O-CG2 3.27Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.46Å; L1140-V1144 PolarHBondContact O-N 3.13Å |
| 1141 | L | 95.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 172.6 | 175.2 | 62.6 | 0 | 0 | 0 | 110.7 | L1130 L1137 N1138 F1143 V1144 T1145 L1167 M1170 V1177 | L1130-L1141 HydrophobicContact CD2-CB 4.39Å; L1137-L1141 WeakPolarHBondContact O-CB 3.35Å; L1137-L1141 PolarHBondContact O-N 3.09Å; N1138-L1141 WeakPolarHBondContact O-CB 3.37Å; N1138-L1141 PolarHBondContact O-N 2.88Å; N1138-L1141 VanDerWaalsContact O-N 3.14Å; L1141-F1143 VanDerWaalsContact C-N 3.31Å; L1141-F1143 PolarHBondContact O-N 3.14Å; L1141-V1144 PolarHBondContact O-N 3.43Å; L1141-T1145 VanDerWaalsContact O-CB 3.29Å; L1141-T1145 WeakPolarHBondContact O-CB 3.4Å; L1141-T1145 PolarHBondContact O-N 3.19Å; L1141-T1145 PolarHBondContact O-OG1 2.98Å; L1141-L1167 HydrophobicContact CD1-CD1 4.36Å; L1141-M1170 HydrophobicContact CB-CE 3.57Å; L1141-M1170 HydrophobicContact CB-SD 4.39Å; L1141-M1170 HydrophobicContact CD1-CB 4.1Å; L1141-M1170 HydrophobicContact CD1-CE 4.1Å; L1141-M1170 HydrophobicContact CD1-SD 4.08Å; L1141-M1170 HydrophobicContact CG-CE 4.42Å; L1141-V1177 HydrophobicContact CD1-CG1 4Å; L1141-V1177 HydrophobicContact CD2-CG1 3.6Å; L1141-V1177 HydrophobicContact CD2-CG2 4.14Å; L1141-V1177 HydrophobicContact CG-CG1 4.44Å |
| 1142 | N | 94.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177 | -66.6 | -30.7 | 0 | 0 | 0 | 110.9 | N1138 P1139 L1140 T1145 Y1146 | N1138-N1142 PolarHBondContact O-N 3.25Å; N1138-N1142 VanDerWaalsContact O-N 3.1Å; N1138-N1142 PolarHBondContact O-ND2 3.23Å; N1138-N1142 PolarHBondContact OD1-ND2 2.96Å; P1139-N1142 PolarHBondContact O-N 3Å; L1140-N1142 VanDerWaalsContact C-N 3.35Å; N1142-T1145 PolarHBondContact O-N 2.88Å; N1142-Y1146 VanDerWaalsContact O-CB 3.3Å; N1142-Y1146 WeakPolarHBondContact O-CB 3.49Å; N1142-Y1146 PolarHBondContact O-N 3.48Å |
| 1143 | F | 94.1 | Very high | 91.6 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 31% | 0.307 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 175 | 179.7 | -115.8 | 0 | 0 | 0 | 112.7 | L1029 F1032 L1033 P1139 L1140 L1141 T1145 Y1146 V1147 | L1029-F1143 HydrophobicContact CD1-CE1 3.89Å; L1029-F1143 HydrophobicContact CD1-CZ 3.68Å; F1032-F1143 HydrophobicContact CD1-CE1 4.36Å; F1032-F1143 HydrophobicContact CE1-CE1 4.39Å; L1033-F1143 HydrophobicContact CD2-CD1 4.26Å; L1033-F1143 HydrophobicContact CD2-CE1 4Å; P1139-F1143 WeakPolarHBondContact O-CB 3.45Å; P1139-F1143 PolarHBondContact O-N 3.23Å; L1140-F1143 WeakPolarHBondContact O-CB 3.3Å; L1140-F1143 PolarHBondContact O-N 3.39Å; L1141-F1143 VanDerWaalsContact C-N 3.31Å; L1141-F1143 PolarHBondContact O-N 3.14Å; F1143-T1145 VanDerWaalsContact C-N 3.33Å; F1143-T1145 PolarHBondContact O-N 3.04Å; F1143-Y1146 WeakPolarHBondContact O-CB 3.01Å; F1143-Y1146 PolarHBondContact O-N 3.34Å; F1143-V1147 HydrophobicContact CE1-CG2 4.46Å; F1143-V1147 HydrophobicContact CE2-CG2 4.24Å; F1143-V1147 HydrophobicContact CZ-CG2 4.18Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.44Å; F1143-V1147 PolarHBondContact O-N 3.24Å |
| 1144 | V | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 111 | L1033 I1036 L1140 L1141 Y1146 V1147 C1148 A1163 A1166 L1167 M1170 | L1033-V1144 HydrophobicContact CD2-CG2 3.76Å; I1036-V1144 HydrophobicContact CD1-CG2 4.35Å; I1036-V1144 HydrophobicContact CG2-CG2 4.18Å; L1140-V1144 WeakPolarHBondContact O-CB 3.38Å; L1140-V1144 VanDerWaalsContact O-CG2 3.27Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.46Å; L1140-V1144 PolarHBondContact O-N 3.13Å; L1141-V1144 PolarHBondContact O-N 3.43Å; V1144-Y1146 VanDerWaalsContact C-N 3.34Å; V1144-Y1146 PolarHBondContact O-N 3.14Å; V1144-V1147 PolarHBondContact O-N 3Å; V1144-C1148 PolarHBondContact O-N 3.49Å; V1144-C1148 PolarHBondContact O-SG 3.32Å; V1144-A1163 WeakPolarHBondContact CG1-O 3.3Å; V1144-A1166 HydrophobicContact CG1-CB 4.11Å; V1144-A1166 HydrophobicContact CG2-CB 4.38Å; V1144-L1167 HydrophobicContact CG1-CB 3.75Å; V1144-L1167 HydrophobicContact CG1-CD1 4.48Å; V1144-M1170 HydrophobicContact CB-SD 4.3Å; V1144-M1170 HydrophobicContact CG1-SD 4.49Å; V1144-M1170 HydrophobicContact CG2-SD 4.09Å |
| 1145 | T | 96.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | L1141 N1142 F1143 C1148 S1149 R1181 L1184 | L1141-T1145 VanDerWaalsContact O-CB 3.29Å; L1141-T1145 WeakPolarHBondContact O-CB 3.4Å; L1141-T1145 PolarHBondContact O-N 3.19Å; L1141-T1145 PolarHBondContact O-OG1 2.98Å; N1142-T1145 PolarHBondContact O-N 2.88Å; F1143-T1145 VanDerWaalsContact C-N 3.33Å; F1143-T1145 PolarHBondContact O-N 3.04Å; T1145-C1148 PolarHBondContact O-N 2.59Å; T1145-S1149 WeakPolarHBondContact O-CB 3.25Å; T1145-S1149 PolarHBondContact O-N 3.29Å; T1145-S1149 PolarHBondContact O-OG 3.39Å; T1145-R1181 PolarHBondContact OG1-NE 3.33Å; T1145-L1184 HydrophobicContact CG2-CD2 4.31Å |
| 1146 | Y | 96.1 | Very high | 93 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 174.8 | -179.2 | -98.4 | 0 | 0 | 0 | 111.6 | N1142 F1143 V1144 S1149 H1150 R1153 F1154 | N1142-Y1146 VanDerWaalsContact O-CB 3.3Å; N1142-Y1146 WeakPolarHBondContact O-CB 3.49Å; N1142-Y1146 PolarHBondContact O-N 3.48Å; F1143-Y1146 WeakPolarHBondContact O-CB 3.01Å; F1143-Y1146 PolarHBondContact O-N 3.34Å; V1144-Y1146 VanDerWaalsContact C-N 3.34Å; V1144-Y1146 PolarHBondContact O-N 3.14Å; Y1146-S1149 WeakPolarHBondContact CA-OG 3.37Å; Y1146-S1149 PolarHBondContact O-N 2.91Å; Y1146-S1149 PolarHBondContact O-OG 3.31Å; Y1146-S1149 VanDerWaalsContact O-OG 3.05Å; Y1146-H1150 AromaticContact CD2-CE1 3.42Å; Y1146-H1150 VanDerWaalsContact CD2-CE1 3.42Å; Y1146-H1150 WeakPolarHBondContact CD2-CE1 3.38Å; Y1146-H1150 AromaticContact CD2-ND1 3.56Å; Y1146-H1150 AromaticContact CE2-CE1 3.23Å; Y1146-H1150 WeakPolarHBondContact CE2-CE1 3.36Å; Y1146-H1150 AromaticContact CE2-ND1 3.52Å; Y1146-H1150 AromaticContact CE2-NE2 3.67Å; Y1146-H1150 AromaticContact CZ-ND1 3.97Å; Y1146-H1150 PolarHBondContact O-N 2.64Å; Y1146-H1150 PolarHBondContact O-ND1 3.27Å; Y1146-R1153 PolarHBondContact OH-NH1 3.24Å; Y1146-F1154 HydrophobicContact CD1-CE2 4.06Å; Y1146-F1154 HydrophobicContact CD1-CZ 4.26Å; Y1146-F1154 AromaticContact CE1-CE2 3.92Å; Y1146-F1154 HydrophobicContact CE1-CE2 3.92Å; Y1146-F1154 HydrophobicContact CE1-CZ 4.09Å |
| 1147 | V | 95.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.3 | 177 | 0 | 0 | 0 | 0 | 111.1 | L1033 F1143 V1144 S1149 H1150 F1154 V1159 A1163 | L1033-V1147 HydrophobicContact CD1-CG1 4.35Å; L1033-V1147 HydrophobicContact CD2-CG2 4.5Å; F1143-V1147 HydrophobicContact CE1-CG2 4.46Å; F1143-V1147 HydrophobicContact CE2-CG2 4.24Å; F1143-V1147 HydrophobicContact CZ-CG2 4.18Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.44Å; F1143-V1147 PolarHBondContact O-N 3.24Å; V1144-V1147 PolarHBondContact O-N 3Å; V1147-S1149 VanDerWaalsContact C-N 3.34Å; V1147-S1149 PolarHBondContact O-N 2.84Å; V1147-H1150 PolarHBondContact O-N 2.65Å; V1147-F1154 HydrophobicContact CB-CD2 4.21Å; V1147-F1154 HydrophobicContact CB-CE2 4.2Å; V1147-F1154 HydrophobicContact CG1-CB 4.17Å; V1147-F1154 HydrophobicContact CG1-CD1 4.17Å; V1147-F1154 HydrophobicContact CG1-CD2 3.9Å; V1147-F1154 HydrophobicContact CG1-CE2 4.33Å; V1147-F1154 HydrophobicContact CG1-CG 3.82Å; V1147-F1154 HydrophobicContact CG2-CD2 4.39Å; V1147-F1154 HydrophobicContact CG2-CE1 4.12Å; V1147-F1154 HydrophobicContact CG2-CE2 3.99Å; V1147-F1154 HydrophobicContact CG2-CZ 3.84Å; V1147-V1159 HydrophobicContact CG1-CG1 4.05Å; V1147-A1163 HydrophobicContact CB-CB 4.16Å; V1147-A1163 HydrophobicContact CG1-CB 3.55Å |
| 1148 | C | 96.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -31.8 | -179.4 | -65.4 | 0 | 0 | 0 | 0 | 113.8 | V1144 T1145 A1163 L1167 L1184 M1188 | V1144-C1148 PolarHBondContact O-N 3.49Å; V1144-C1148 PolarHBondContact O-SG 3.32Å; T1145-C1148 PolarHBondContact O-N 2.59Å; C1148-A1163 PolarHBondContact SG-O 2.85Å; C1148-L1167 HydrophobicContact CB-CD2 3.95Å; C1148-L1184 HydrophobicContact CB-CD2 4.05Å; C1148-M1188 HydrophobicContact CB-CE 4Å; C1148-M1188 HydrophobicContact CB-SD 3.81Å |
| 1149 | S | 95.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81.8 | -11.1 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | T1145 Y1146 V1147 P1151 | T1145-S1149 WeakPolarHBondContact O-CB 3.25Å; T1145-S1149 PolarHBondContact O-N 3.29Å; T1145-S1149 PolarHBondContact O-OG 3.39Å; Y1146-S1149 WeakPolarHBondContact CA-OG 3.37Å; Y1146-S1149 PolarHBondContact O-N 2.91Å; Y1146-S1149 PolarHBondContact O-OG 3.31Å; Y1146-S1149 VanDerWaalsContact O-OG 3.05Å; V1147-S1149 VanDerWaalsContact C-N 3.34Å; V1147-S1149 PolarHBondContact O-N 2.84Å; S1149-P1151 WeakPolarHBondContact O-CD 3.31Å |
| 1150 | H | 94.4 | Very high | 93.7 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 32% | 0.324 | 29% | 0.293 | S | S | . | . | trans | -122.4 | 59.6 | -178.4 | -61.4 | 80 | 0 | 0 | 0 | 112.5 | Y1146 V1147 S1152 R1153 F1154 | Y1146-H1150 AromaticContact CD2-CE1 3.42Å; Y1146-H1150 VanDerWaalsContact CD2-CE1 3.42Å; Y1146-H1150 WeakPolarHBondContact CD2-CE1 3.38Å; Y1146-H1150 AromaticContact CD2-ND1 3.56Å; Y1146-H1150 AromaticContact CE2-CE1 3.23Å; Y1146-H1150 WeakPolarHBondContact CE2-CE1 3.36Å; Y1146-H1150 AromaticContact CE2-ND1 3.52Å; Y1146-H1150 AromaticContact CE2-NE2 3.67Å; Y1146-H1150 AromaticContact CZ-ND1 3.97Å; Y1146-H1150 PolarHBondContact O-N 2.64Å; Y1146-H1150 PolarHBondContact O-ND1 3.27Å; V1147-H1150 PolarHBondContact O-N 2.65Å; H1150-S1152 PolarHBondContact O-N 3.24Å; H1150-S1152 VanDerWaalsContact O-N 3.15Å; H1150-R1153 HydrophobicContact CB-CB 4.2Å; H1150-R1153 PolarHBondContact O-N 2.9Å; H1150-F1154 HydrophobicContact CB-CD2 4.25Å; H1150-F1154 HydrophobicContact CB-CE2 4.31Å; H1150-F1154 WeakPolarHBondContact O-CD2 3.46Å; H1150-F1154 PolarHBondContact O-N 3.48Å | ||
| 1151 | P | 90.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 55 Ų | 55 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.1 | -176.2 | 26.5 | -35.6 | 0 | 0 | 0 | 113.6 | S1149 R1153 F1154 Q1160 | S1149-P1151 WeakPolarHBondContact O-CD 3.31Å; P1151-R1153 VanDerWaalsContact C-N 3.32Å; P1151-F1154 CarbonylContact O-C 3.57Å; P1151-Q1160 PolarHBondContact O-NE2 2.97Å |
| 1152 | S | 88.7 | Confident | 93.8 | Very high | 107 Ų | 107 | 55.9 Ų | 55.9 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.5 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | H1150 T1155 | H1150-S1152 PolarHBondContact O-N 3.24Å; H1150-S1152 VanDerWaalsContact O-N 3.15Å; S1152-T1155 WeakPolarHBondContact O-CG2 3.34Å |
| 1153 | R | 89.3 | Confident | 94 | Very high | 152 Ų | 152 | 52 Ų | 52 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -34.5 | 175.7 | -174.3 | 176.5 | -179.9 | 166.5 | 4.6 | 111.6 | Y1146 H1150 P1151 | Y1146-R1153 PolarHBondContact OH-NH1 3.24Å; H1150-R1153 HydrophobicContact CB-CB 4.2Å; H1150-R1153 PolarHBondContact O-N 2.9Å; P1151-R1153 VanDerWaalsContact C-N 3.32Å |
| 1154 | F | 91.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | trans | -108.4 | 74.3 | 179.9 | -59.1 | -79.8 | 0 | 0 | 0 | 109.4 | L1029 Y1146 V1147 H1150 P1151 D1156 V1159 Q1160 | L1029-F1154 HydrophobicContact CD2-CD1 4.08Å; L1029-F1154 HydrophobicContact CD2-CE1 4.01Å; Y1146-F1154 HydrophobicContact CD1-CE2 4.06Å; Y1146-F1154 HydrophobicContact CD1-CZ 4.26Å; Y1146-F1154 AromaticContact CE1-CE2 3.92Å; Y1146-F1154 HydrophobicContact CE1-CE2 3.92Å; Y1146-F1154 HydrophobicContact CE1-CZ 4.09Å; V1147-F1154 HydrophobicContact CB-CD2 4.21Å; V1147-F1154 HydrophobicContact CB-CE2 4.2Å; V1147-F1154 HydrophobicContact CG1-CB 4.17Å; V1147-F1154 HydrophobicContact CG1-CD1 4.17Å; V1147-F1154 HydrophobicContact CG1-CD2 3.9Å; V1147-F1154 HydrophobicContact CG1-CE2 4.33Å; V1147-F1154 HydrophobicContact CG1-CG 3.82Å; V1147-F1154 HydrophobicContact CG2-CD2 4.39Å; V1147-F1154 HydrophobicContact CG2-CE1 4.12Å; V1147-F1154 HydrophobicContact CG2-CE2 3.99Å; V1147-F1154 HydrophobicContact CG2-CZ 3.84Å; H1150-F1154 HydrophobicContact CB-CD2 4.25Å; H1150-F1154 HydrophobicContact CB-CE2 4.31Å; H1150-F1154 WeakPolarHBondContact O-CD2 3.46Å; H1150-F1154 PolarHBondContact O-N 3.48Å; P1151-F1154 CarbonylContact O-C 3.57Å; F1154-D1156 VanDerWaalsContact C-N 3.32Å; F1154-D1156 PolarHBondContact O-N 3.45Å; F1154-V1159 HydrophobicContact CB-CG1 4.29Å; F1154-V1159 HydrophobicContact CD1-CG1 4.33Å; F1154-Q1160 VanDerWaalsContact O-CG 3.27Å; F1154-Q1160 WeakPolarHBondContact O-CG 3.5Å; F1154-Q1160 PolarHBondContact O-NE2 3.18Å | ||
| 1155 | T | 88.5 | Confident | 94.1 | Very high | 113 Ų | 113 | 51.1 Ų | 51.1 | 69% | 0.693 | 28% | 0.277 | S | S | * | . | trans | -78.1 | -14.5 | -173.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | S1152 E1157 | S1152-T1155 WeakPolarHBondContact O-CG2 3.34Å; T1155-E1157 PolarHBondContact O-N 2.97Å | ||
| 1156 | D | 93.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | trans | -69.8 | 126.7 | -180 | -176.7 | -85.6 | 0 | 0 | 0 | 111.7 | A1026 F1154 T1158 V1159 Q1160 | A1026-D1156 HydrophobicContact CB-CB 3.93Å; A1026-D1156 WeakPolarHBondContact CB-OD2 3.35Å; F1154-D1156 VanDerWaalsContact C-N 3.32Å; F1154-D1156 PolarHBondContact O-N 3.45Å; D1156-T1158 PolarHBondContact O-N 3.14Å; D1156-T1158 WeakPolarHBondContact OD1-CA 3.29Å; D1156-T1158 WeakPolarHBondContact OD1-CB 3.47Å; D1156-T1158 PolarHBondContact OD1-N 3.19Å; D1156-T1158 PolarHBondContact OD1-OG1 3.47Å; D1156-V1159 HydrophobicContact CB-CB 4.13Å; D1156-V1159 HydrophobicContact CB-CG2 3.96Å; D1156-V1159 PolarHBondContact O-N 2.93Å; D1156-V1159 PolarHBondContact OD1-N 2.64Å; D1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; D1156-Q1160 PolarHBondContact O-N 3.37Å | ||
| 1157 | E | 93.7 | Very high | 94.3 | Very high | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | -176.1 | -177.9 | 170.3 | -161.2 | 0 | 0 | 112.7 | T1155 V1159 Q1160 A1161 S1194 | T1155-E1157 PolarHBondContact O-N 2.97Å; E1157-V1159 VanDerWaalsContact C-N 3.33Å; E1157-V1159 PolarHBondContact O-N 2.85Å; E1157-Q1160 PolarHBondContact O-N 3.32Å; E1157-A1161 VanDerWaalsContact O-CB 3.31Å; E1157-A1161 WeakPolarHBondContact O-CB 3.44Å; E1157-A1161 PolarHBondContact O-N 3.16Å; E1157-S1194 WeakPolarHBondContact CG-OG 3.29Å; E1157-S1194 WeakPolarHBondContact OE1-CB 3.33Å; E1157-S1194 PolarHBondContact OE1-OG 3.14Å |
| 1158 | T | 92.4 | Very high | 94.4 | Very high | 71 Ų | 71 | 45.8 Ų | 45.8 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.7 | -35.4 | -179.9 | 74 | 0 | 0 | 0 | 0 | 111.7 | S1030 D1156 S1162 | S1030-T1158 WeakPolarHBondContact CB-O 3.5Å; D1156-T1158 PolarHBondContact O-N 3.14Å; D1156-T1158 WeakPolarHBondContact OD1-CA 3.29Å; D1156-T1158 WeakPolarHBondContact OD1-CB 3.47Å; D1156-T1158 PolarHBondContact OD1-N 3.19Å; D1156-T1158 PolarHBondContact OD1-OG1 3.47Å; T1158-S1162 VanDerWaalsContact O-CB 3.29Å; T1158-S1162 WeakPolarHBondContact O-CB 3.35Å; T1158-S1162 PolarHBondContact O-N 3.11Å; T1158-S1162 PolarHBondContact O-OG 2.82Å |
| 1159 | V | 95.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 173 | 175 | 0 | 0 | 0 | 0 | 110.1 | A1026 L1029 L1033 V1147 F1154 D1156 E1157 S1162 A1163 | A1026-V1159 HydrophobicContact CB-CG2 3.94Å; A1026-V1159 VanDerWaalsContact O-CG2 3.29Å; A1026-V1159 WeakPolarHBondContact O-CG2 3.31Å; L1029-V1159 HydrophobicContact CB-CG2 4.39Å; L1029-V1159 HydrophobicContact CD2-CG1 3.89Å; L1029-V1159 HydrophobicContact CD2-CG2 4.37Å; L1029-V1159 HydrophobicContact CG-CG1 4.18Å; L1029-V1159 HydrophobicContact CG-CG2 4.41Å; L1033-V1159 HydrophobicContact CD1-CG1 3.86Å; V1147-V1159 HydrophobicContact CG1-CG1 4.05Å; F1154-V1159 HydrophobicContact CB-CG1 4.29Å; F1154-V1159 HydrophobicContact CD1-CG1 4.33Å; D1156-V1159 HydrophobicContact CB-CB 4.13Å; D1156-V1159 HydrophobicContact CB-CG2 3.96Å; D1156-V1159 PolarHBondContact O-N 2.93Å; D1156-V1159 PolarHBondContact OD1-N 2.64Å; E1157-V1159 VanDerWaalsContact C-N 3.33Å; E1157-V1159 PolarHBondContact O-N 2.85Å; V1159-S1162 PolarHBondContact O-N 3.4Å; V1159-A1163 WeakPolarHBondContact O-CB 3.3Å; V1159-A1163 PolarHBondContact O-N 3.05Å |
| 1160 | Q | 95.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.5 | -69.3 | -178.3 | 3.4 | 0 | 0 | 112.2 | P1151 F1154 D1156 E1157 S1164 V1197 | P1151-Q1160 PolarHBondContact O-NE2 2.97Å; F1154-Q1160 VanDerWaalsContact O-CG 3.27Å; F1154-Q1160 WeakPolarHBondContact O-CG 3.5Å; F1154-Q1160 PolarHBondContact O-NE2 3.18Å; D1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; D1156-Q1160 PolarHBondContact O-N 3.37Å; E1157-Q1160 PolarHBondContact O-N 3.32Å; Q1160-S1164 WeakPolarHBondContact O-CB 3.5Å; Q1160-S1164 PolarHBondContact O-N 2.89Å; Q1160-S1164 PolarHBondContact O-OG 3.47Å; Q1160-V1197 HydrophobicContact CB-CG2 4.09Å |
| 1161 | A | 95.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1157 S1164 L1165 I1196 V1197 | E1157-A1161 VanDerWaalsContact O-CB 3.31Å; E1157-A1161 WeakPolarHBondContact O-CB 3.44Å; E1157-A1161 PolarHBondContact O-N 3.16Å; A1161-S1164 PolarHBondContact O-OG 2.83Å; A1161-L1165 WeakPolarHBondContact O-CB 3.27Å; A1161-L1165 PolarHBondContact O-N 3.32Å; A1161-L1165 VanDerWaalsContact O-N 3.12Å; A1161-I1196 HydrophobicContact CB-CG2 4.42Å; A1161-V1197 HydrophobicContact CB-CG2 4.07Å |
| 1162 | S | 96.1 | Very high | 94.9 | Very high | 22 Ų | 22 | 38 Ų | 38 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.6 | -41.2 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | S1030 T1158 V1159 A1166 | S1030-S1162 VanDerWaalsContact O-CB 3.24Å; S1030-S1162 WeakPolarHBondContact O-CB 3.11Å; S1030-S1162 PolarHBondContact O-OG 3.06Å; T1158-S1162 VanDerWaalsContact O-CB 3.29Å; T1158-S1162 WeakPolarHBondContact O-CB 3.35Å; T1158-S1162 PolarHBondContact O-N 3.11Å; T1158-S1162 PolarHBondContact O-OG 2.82Å; V1159-S1162 PolarHBondContact O-N 3.4Å; S1162-A1166 WeakPolarHBondContact O-CB 3.3Å; S1162-A1166 PolarHBondContact O-N 2.94Å |
| 1163 | A | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1033 V1144 V1147 C1148 V1159 A1166 L1167 | L1033-A1163 HydrophobicContact CD1-CB 3.95Å; L1033-A1163 HydrophobicContact CD2-CB 4.45Å; V1144-A1163 WeakPolarHBondContact CG1-O 3.3Å; V1147-A1163 HydrophobicContact CB-CB 4.16Å; V1147-A1163 HydrophobicContact CG1-CB 3.55Å; C1148-A1163 PolarHBondContact SG-O 2.85Å; V1159-A1163 WeakPolarHBondContact O-CB 3.3Å; V1159-A1163 PolarHBondContact O-N 3.05Å; A1163-A1166 PolarHBondContact O-N 3.37Å; A1163-L1167 WeakPolarHBondContact O-CB 3.36Å; A1163-L1167 PolarHBondContact O-N 3.28Å |
| 1164 | S | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | -179.3 | 59.1 | 0 | 0 | 0 | 0 | 112 | Q1160 A1161 L1167 A1168 | Q1160-S1164 WeakPolarHBondContact O-CB 3.5Å; Q1160-S1164 PolarHBondContact O-N 2.89Å; Q1160-S1164 PolarHBondContact O-OG 3.47Å; A1161-S1164 PolarHBondContact O-OG 2.83Å; S1164-L1167 PolarHBondContact O-N 3.19Å; S1164-A1168 PolarHBondContact O-N 2.95Å |
| 1165 | L | 97.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 25.8 Ų | 25.8 | 27% | 0.267 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68 | -38.8 | 176.1 | -171.4 | 63.3 | 0 | 0 | 0 | 111.6 | A1161 A1168 K1169 | A1161-L1165 WeakPolarHBondContact O-CB 3.27Å; A1161-L1165 PolarHBondContact O-N 3.32Å; A1161-L1165 VanDerWaalsContact O-N 3.12Å; L1165-A1168 PolarHBondContact O-N 2.92Å; L1165-K1169 HydrophobicContact CG-CD 4.42Å; L1165-K1169 WeakPolarHBondContact O-CB 3.39Å; L1165-K1169 VanDerWaalsContact O-CG 3.3Å; L1165-K1169 WeakPolarHBondContact O-CG 3.43Å; L1165-K1169 PolarHBondContact O-N 2.92Å |
| 1166 | A | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1033 V1144 S1162 A1163 A1168 K1169 M1170 | L1033-A1166 VanDerWaalsContact O-CB 3.28Å; L1033-A1166 WeakPolarHBondContact O-CB 3.43Å; V1144-A1166 HydrophobicContact CG1-CB 4.11Å; V1144-A1166 HydrophobicContact CG2-CB 4.38Å; S1162-A1166 WeakPolarHBondContact O-CB 3.3Å; S1162-A1166 PolarHBondContact O-N 2.94Å; A1163-A1166 PolarHBondContact O-N 3.37Å; A1166-A1168 VanDerWaalsContact C-N 3.34Å; A1166-A1168 PolarHBondContact O-N 3.37Å; A1166-K1169 PolarHBondContact O-N 3.41Å; A1166-M1170 WeakPolarHBondContact O-CB 3.49Å; A1166-M1170 WeakPolarHBondContact O-CG 3.31Å; A1166-M1170 PolarHBondContact O-N 3.07Å |
| 1167 | L | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -49 | 176.1 | 179.6 | 57.6 | 0 | 0 | 0 | 110.8 | L1141 V1144 C1148 A1163 S1164 K1169 M1170 M1171 L1184 L1185 | L1141-L1167 HydrophobicContact CD1-CD1 4.36Å; V1144-L1167 HydrophobicContact CG1-CB 3.75Å; V1144-L1167 HydrophobicContact CG1-CD1 4.48Å; C1148-L1167 HydrophobicContact CB-CD2 3.95Å; A1163-L1167 WeakPolarHBondContact O-CB 3.36Å; A1163-L1167 PolarHBondContact O-N 3.28Å; S1164-L1167 PolarHBondContact O-N 3.19Å; L1167-K1169 PolarHBondContact O-N 3.22Å; L1167-M1170 PolarHBondContact O-N 3.47Å; L1167-M1171 HydrophobicContact CD1-CG 4.24Å; L1167-M1171 HydrophobicContact CD1-SD 4.17Å; L1167-M1171 HydrophobicContact CG-CG 4.46Å; L1167-M1171 HydrophobicContact CG-SD 3.88Å; L1167-M1171 VanDerWaalsContact O-CG 3.24Å; L1167-M1171 WeakPolarHBondContact O-CG 3.49Å; L1167-M1171 PolarHBondContact O-N 3.16Å; L1167-L1184 HydrophobicContact CD2-CD2 4.02Å; L1167-L1185 HydrophobicContact CD2-CD1 4.38Å |
| 1168 | A | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1164 L1165 A1166 M1170 M1171 L1172 L1185 L1201 A1204 | S1164-A1168 PolarHBondContact O-N 2.95Å; L1165-A1168 PolarHBondContact O-N 2.92Å; A1166-A1168 VanDerWaalsContact C-N 3.34Å; A1166-A1168 PolarHBondContact O-N 3.37Å; A1168-M1170 VanDerWaalsContact C-N 3.3Å; A1168-M1170 PolarHBondContact O-N 2.93Å; A1168-M1171 PolarHBondContact O-N 3.14Å; A1168-L1172 PolarHBondContact O-N 2.91Å; A1168-L1185 HydrophobicContact CB-CD1 4.25Å; A1168-L1185 HydrophobicContact CB-CD2 4.38Å; A1168-L1201 HydrophobicContact CB-CD2 4.39Å; A1168-A1204 HydrophobicContact CB-CB 3.53Å |
| 1169 | K | 97.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 21.6 Ų | 21.6 | 10% | 0.104 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.4 | -36.9 | 174.3 | -75.5 | -176.5 | -179.8 | -178.7 | 0 | 112.3 | E931 G1037 H1038 L1041 L1165 A1166 L1167 | E931-K1169 IonicContact OE1-NZ 2.88Å; G1037-K1169 VanDerWaalsContact C-CD 3.49Å; G1037-K1169 WeakPolarHBondContact O-CB 3.43Å; G1037-K1169 WeakPolarHBondContact O-CD 3.36Å; H1038-K1169 PolarHBondContact ND1-NZ 3.43Å; L1041-K1169 HydrophobicContact CB-CB 4.11Å; L1041-K1169 HydrophobicContact CB-CD 4.06Å; L1041-K1169 HydrophobicContact CB-CG 4.11Å; L1041-K1169 HydrophobicContact CD2-CD 3.98Å; L1041-K1169 HydrophobicContact CD2-CG 4.05Å; L1165-K1169 HydrophobicContact CG-CD 4.42Å; L1165-K1169 WeakPolarHBondContact O-CB 3.39Å; L1165-K1169 VanDerWaalsContact O-CG 3.3Å; L1165-K1169 WeakPolarHBondContact O-CG 3.43Å; L1165-K1169 PolarHBondContact O-N 2.92Å; A1166-K1169 PolarHBondContact O-N 3.41Å; L1167-K1169 PolarHBondContact O-N 3.22Å |
| 1170 | M | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.7 | -36 | 176.4 | -65.2 | -179.3 | 88 | 0 | 0 | 112.4 | I1036 T1040 L1130 L1141 V1144 A1166 L1167 A1168 L1172 V1173 | I1036-M1170 HydrophobicContact CG2-CE 4.11Å; I1036-M1170 HydrophobicContact CG2-SD 3.81Å; T1040-M1170 HydrophobicContact CG2-CB 4.28Å; T1040-M1170 HydrophobicContact CG2-CG 3.91Å; L1130-M1170 HydrophobicContact CD1-CB 4.5Å; L1130-M1170 WeakPolarHBondContact CD1-O 3.4Å; L1130-M1170 HydrophobicContact CD2-CE 3.64Å; L1141-M1170 HydrophobicContact CB-CE 3.57Å; L1141-M1170 HydrophobicContact CB-SD 4.39Å; L1141-M1170 HydrophobicContact CD1-CB 4.1Å; L1141-M1170 HydrophobicContact CD1-CE 4.1Å; L1141-M1170 HydrophobicContact CD1-SD 4.08Å; L1141-M1170 HydrophobicContact CG-CE 4.42Å; V1144-M1170 HydrophobicContact CB-SD 4.3Å; V1144-M1170 HydrophobicContact CG1-SD 4.49Å; V1144-M1170 HydrophobicContact CG2-SD 4.09Å; A1166-M1170 WeakPolarHBondContact O-CB 3.49Å; A1166-M1170 WeakPolarHBondContact O-CG 3.31Å; A1166-M1170 PolarHBondContact O-N 3.07Å; L1167-M1170 PolarHBondContact O-N 3.47Å; A1168-M1170 VanDerWaalsContact C-N 3.3Å; A1168-M1170 PolarHBondContact O-N 2.93Å; M1170-L1172 PolarHBondContact O-N 3.33Å; M1170-V1173 WeakPolarHBondContact O-CB 3.38Å; M1170-V1173 WeakPolarHBondContact O-CG2 3.47Å; M1170-V1173 PolarHBondContact O-N 3.08Å |
| 1171 | M | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -27.7 | 176.6 | -73.2 | 169.6 | 63.7 | 0 | 0 | 112.7 | L1167 A1168 V1173 C1178 R1181 L1182 L1185 L1208 F1212 | L1167-M1171 HydrophobicContact CD1-CG 4.24Å; L1167-M1171 HydrophobicContact CD1-SD 4.17Å; L1167-M1171 HydrophobicContact CG-CG 4.46Å; L1167-M1171 HydrophobicContact CG-SD 3.88Å; L1167-M1171 VanDerWaalsContact O-CG 3.24Å; L1167-M1171 WeakPolarHBondContact O-CG 3.49Å; L1167-M1171 PolarHBondContact O-N 3.16Å; A1168-M1171 PolarHBondContact O-N 3.14Å; M1171-V1173 PolarHBondContact O-N 2.71Å; M1171-C1178 HydrophobicContact CB-CB 4.27Å; M1171-C1178 HydrophobicContact CE-CB 4.4Å; M1171-C1178 WeakPolarHBondContact CE-O 3.38Å; M1171-R1181 HydrophobicContact CE-CB 4.05Å; M1171-R1181 HydrophobicContact CG-CB 4.34Å; M1171-R1181 HydrophobicContact SD-CB 3.8Å; M1171-L1182 HydrophobicContact CE-CD2 3.84Å; M1171-L1182 HydrophobicContact CE-CG 4.33Å; M1171-L1185 HydrophobicContact CE-CB 4.34Å; M1171-L1185 HydrophobicContact CE-CD2 3.84Å; M1171-L1185 HydrophobicContact SD-CB 4.45Å; M1171-L1185 HydrophobicContact SD-CD1 4.31Å; M1171-L1185 HydrophobicContact SD-CD2 3.96Å; M1171-L1185 HydrophobicContact SD-CG 4.49Å; M1171-L1208 HydrophobicContact CB-CD2 3.95Å; M1171-L1208 HydrophobicContact CE-CD1 4.1Å; M1171-F1212 VanDerWaalsContact O-CE2 3.3Å; M1171-F1212 WeakPolarHBondContact O-CE2 3.43Å |
| 1172 | L | 95.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 25.4 Ų | 25.4 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.4 | 176.9 | -76.3 | 166.4 | 0 | 0 | 0 | 114.2 | L1041 L1044 A1168 M1170 D1207 L1208 R1211 F1212 | L1041-L1172 HydrophobicContact CD1-CD1 3.84Å; L1044-L1172 HydrophobicContact CD2-CB 3.81Å; L1044-L1172 WeakPolarHBondContact CD2-O 3.45Å; A1168-L1172 PolarHBondContact O-N 2.91Å; M1170-L1172 PolarHBondContact O-N 3.33Å; L1172-D1207 HydrophobicContact CD1-CB 4.31Å; L1172-D1207 HydrophobicContact CD2-CB 4.04Å; L1172-L1208 HydrophobicContact CD2-CD2 3.71Å; L1172-L1208 HydrophobicContact CD2-CG 4.12Å; L1172-L1208 HydrophobicContact CG-CD2 3.9Å; L1172-L1208 HydrophobicContact CG-CG 4.45Å; L1172-R1211 HydrophobicContact CD2-CB 3.85Å; L1172-R1211 HydrophobicContact CD2-CG 4.15Å; L1172-R1211 PolarHBondContact O-NE 3.46Å; L1172-R1211 VanDerWaalsContact O-NE 3.12Å; L1172-F1212 WeakPolarHBondContact O-CZ 3.38Å |
| 1173 | V | 93.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -48.9 | -173.7 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | T1040 L1044 C1125 L1129 L1130 M1170 M1171 | T1040-V1173 HydrophobicContact CG2-CG2 3.46Å; T1040-V1173 VanDerWaalsContact CG2-CG2 3.46Å; L1044-V1173 HydrophobicContact CB-CG2 4.37Å; L1044-V1173 HydrophobicContact CD2-CG2 4.42Å; C1125-V1173 HydrophobicContact CB-CG1 4.35Å; C1125-V1173 WeakPolarHBondContact O-CG1 3.49Å; L1129-V1173 HydrophobicContact CB-CG1 4.02Å; L1129-V1173 HydrophobicContact CD1-CG1 3.79Å; L1130-V1173 HydrophobicContact CD1-CB 3.72Å; L1130-V1173 HydrophobicContact CD1-CG1 4Å; L1130-V1173 HydrophobicContact CD1-CG2 4Å; L1130-V1173 HydrophobicContact CG-CG1 4.41Å; M1170-V1173 WeakPolarHBondContact O-CB 3.38Å; M1170-V1173 WeakPolarHBondContact O-CG2 3.47Å; M1170-V1173 PolarHBondContact O-N 3.08Å; M1171-V1173 PolarHBondContact O-N 2.71Å |
| 1174 | N | 89.1 | Confident | 95.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -142.3 | 135.3 | -172.8 | 176.7 | -11.1 | 0 | 0 | 0 | 111.2 | D1126 E1176 V1177 C1178 | D1126-N1174 WeakPolarHBondContact CA-ND2 3.42Å; D1126-N1174 PolarHBondContact O-ND2 3.4Å; D1126-N1174 VanDerWaalsContact OD1-CG 3.31Å; D1126-N1174 PolarHBondContact OD1-OD1 3.27Å; N1174-E1176 PolarHBondContact O-N 3.09Å; N1174-E1176 PolarHBondContact OD1-N 3.08Å; N1174-V1177 HydrophobicContact CB-CB 4.42Å; N1174-V1177 HydrophobicContact CB-CG2 4.21Å; N1174-V1177 PolarHBondContact O-N 3.09Å; N1174-C1178 WeakPolarHBondContact O-CB 3.46Å; N1174-C1178 PolarHBondContact O-N 3.01Å | ||
| 1175 | A | 90.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 26% | 0.264 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53.7 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1177 C1178 E1179 F1212 L1215 | A1175-V1177 VanDerWaalsContact C-N 3.26Å; A1175-V1177 PolarHBondContact O-N 3.01Å; A1175-C1178 WeakPolarHBondContact O-CB 3.26Å; A1175-C1178 PolarHBondContact O-N 3.22Å; A1175-C1178 VanDerWaalsContact O-N 3.1Å; A1175-E1179 PolarHBondContact O-N 3.23Å; A1175-F1212 HydrophobicContact CB-CD1 4Å; A1175-F1212 HydrophobicContact CB-CE1 3.87Å; A1175-F1212 HydrophobicContact CB-CZ 4.45Å; A1175-L1215 HydrophobicContact CB-CD1 3.85Å |
| 1176 | E | 89.4 | Confident | 95.1 | Very high | 108 Ų | 108 | 30.7 Ų | 30.7 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.8 | -27 | 178.9 | -66.5 | -175.9 | 174.6 | 0 | 0 | 112.7 | K1131 N1174 P1180 | K1131-E1176 WeakPolarHBondContact CE-OE2 3.35Å; K1131-E1176 IonicContact NZ-OE1 3.24Å; K1131-E1176 PolarHBondContact NZ-OE1 2.92Å; K1131-E1176 IonicContact NZ-OE2 3.63Å; K1131-E1176 PolarHBondContact NZ-OE2 3.31Å; N1174-E1176 PolarHBondContact O-N 3.09Å; N1174-E1176 PolarHBondContact OD1-N 3.08Å; E1176-P1180 WeakPolarHBondContact O-CD 3.35Å; E1176-P1180 VanDerWaalsContact O-CG 3.31Å; E1176-P1180 WeakPolarHBondContact O-CG 3.46Å |
| 1177 | V | 90.5 | Very high | 95 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -79.5 | -36.4 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L1130 L1141 N1174 A1175 | L1130-V1177 HydrophobicContact CB-CG2 4.09Å; L1130-V1177 HydrophobicContact CD1-CG1 4.3Å; L1130-V1177 HydrophobicContact CD1-CG2 4.27Å; L1141-V1177 HydrophobicContact CD1-CG1 4Å; L1141-V1177 HydrophobicContact CD2-CG1 3.6Å; L1141-V1177 HydrophobicContact CD2-CG2 4.14Å; L1141-V1177 HydrophobicContact CG-CG1 4.44Å; N1174-V1177 HydrophobicContact CB-CB 4.42Å; N1174-V1177 HydrophobicContact CB-CG2 4.21Å; N1174-V1177 PolarHBondContact O-N 3.09Å; A1175-V1177 VanDerWaalsContact C-N 3.26Å; A1175-V1177 PolarHBondContact O-N 3.01Å |
| 1178 | C | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -57.3 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | M1171 N1174 A1175 R1181 L1182 F1212 L1215 | M1171-C1178 HydrophobicContact CB-CB 4.27Å; M1171-C1178 HydrophobicContact CE-CB 4.4Å; M1171-C1178 WeakPolarHBondContact CE-O 3.38Å; N1174-C1178 WeakPolarHBondContact O-CB 3.46Å; N1174-C1178 PolarHBondContact O-N 3.01Å; A1175-C1178 WeakPolarHBondContact O-CB 3.26Å; A1175-C1178 PolarHBondContact O-N 3.22Å; A1175-C1178 VanDerWaalsContact O-N 3.1Å; C1178-R1181 CarbonylContact O-C 3.37Å; C1178-R1181 WeakPolarHBondContact O-CA 3.47Å; C1178-R1181 PolarHBondContact O-N 3.22Å; C1178-L1182 WeakPolarHBondContact O-CG 3.41Å; C1178-L1182 PolarHBondContact O-N 3.09Å; C1178-L1182 VanDerWaalsContact SG-CD2 3.59Å; C1178-F1212 HydrophobicContact CB-CD2 4.22Å; C1178-F1212 HydrophobicContact CB-CE2 4.15Å; C1178-L1215 HydrophobicContact CB-CD1 4.38Å |
| 1179 | E | 95.4 | Very high | 94.8 | Very high | 122 Ų | 122 | 34.6 Ų | 34.6 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -48.2 | -54.7 | -172.3 | -178.1 | 174.8 | -169.5 | 0 | 0 | 114.7 | A1175 R1181 L1182 L1215 | A1175-E1179 PolarHBondContact O-N 3.23Å; E1179-R1181 PolarHBondContact O-N 3.43Å; E1179-R1181 VanDerWaalsContact O-N 3.1Å; E1179-L1182 PolarHBondContact O-N 3.08Å; E1179-L1215 HydrophobicContact CB-CD1 4.37Å |
| 1180 | P | 95 | Very high | 94.6 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 55% | 0.552 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -68.5 | -11.7 | -178.7 | 27.9 | -35.8 | 0 | 0 | 0 | 113.8 | E1176 | E1176-P1180 WeakPolarHBondContact O-CD 3.35Å; E1176-P1180 VanDerWaalsContact O-CG 3.31Å; E1176-P1180 WeakPolarHBondContact O-CG 3.46Å |
| 1181 | R | 95.5 | Very high | 94.4 | Very high | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -108.4 | -6.7 | -178.6 | -56.8 | -170.7 | -168.1 | -21.6 | 5.5 | 113 | T1145 M1171 C1178 E1179 Q1183 L1184 L1185 | T1145-R1181 PolarHBondContact OG1-NE 3.33Å; M1171-R1181 HydrophobicContact CE-CB 4.05Å; M1171-R1181 HydrophobicContact CG-CB 4.34Å; M1171-R1181 HydrophobicContact SD-CB 3.8Å; C1178-R1181 CarbonylContact O-C 3.37Å; C1178-R1181 WeakPolarHBondContact O-CA 3.47Å; C1178-R1181 PolarHBondContact O-N 3.22Å; E1179-R1181 PolarHBondContact O-N 3.43Å; E1179-R1181 VanDerWaalsContact O-N 3.1Å; R1181-Q1183 VanDerWaalsContact C-N 3.34Å; R1181-Q1183 PolarHBondContact O-N 2.98Å; R1181-L1184 PolarHBondContact O-N 3.27Å; R1181-L1185 PolarHBondContact O-N 3.05Å |
| 1182 | L | 96.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 177.2 | -76.3 | 176.9 | 0 | 0 | 0 | 112.1 | M1171 C1178 E1179 L1184 L1185 F1186 L1215 I1216 W1219 | M1171-L1182 HydrophobicContact CE-CD2 3.84Å; M1171-L1182 HydrophobicContact CE-CG 4.33Å; C1178-L1182 WeakPolarHBondContact O-CG 3.41Å; C1178-L1182 PolarHBondContact O-N 3.09Å; C1178-L1182 VanDerWaalsContact SG-CD2 3.59Å; E1179-L1182 PolarHBondContact O-N 3.08Å; L1182-L1184 VanDerWaalsContact C-N 3.32Å; L1182-L1184 PolarHBondContact O-N 3.32Å; L1182-L1185 PolarHBondContact O-N 2.88Å; L1182-L1185 VanDerWaalsContact O-N 3.15Å; L1182-F1186 HydrophobicContact CD2-CE2 4.47Å; L1182-F1186 WeakPolarHBondContact O-CD2 3.18Å; L1182-F1186 PolarHBondContact O-N 3.39Å; L1182-L1215 HydrophobicContact CD1-CB 4.19Å; L1182-I1216 HydrophobicContact CD1-CD1 4.27Å; L1182-I1216 HydrophobicContact CD2-CD1 3.37Å; L1182-I1216 HydrophobicContact CG-CD1 4.48Å; L1182-W1219 HydrophobicContact CB-CZ2 4.38Å |
| 1183 | Q | 96.8 | Very high | 94.3 | Very high | 135 Ų | 135 | 54.7 Ų | 54.7 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 179.6 | -174.5 | 175.4 | 16.5 | 0 | 0 | 111.9 | R1181 L1185 T1187 W1219 | R1181-Q1183 VanDerWaalsContact C-N 3.34Å; R1181-Q1183 PolarHBondContact O-N 2.98Å; Q1183-L1185 VanDerWaalsContact C-N 3.33Å; Q1183-L1185 PolarHBondContact O-N 2.74Å; Q1183-T1187 VanDerWaalsContact O-CB 3.27Å; Q1183-T1187 WeakPolarHBondContact O-CB 3.16Å; Q1183-T1187 PolarHBondContact O-N 3.47Å; Q1183-T1187 PolarHBondContact O-OG1 2.97Å; Q1183-W1219 HydrophobicContact CB-CH2 3.94Å; Q1183-W1219 HydrophobicContact CG-CH2 4.24Å |
| 1184 | L | 96.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.6 | 176.8 | 60.6 | 0 | 0 | 0 | 110.3 | T1145 C1148 L1167 R1181 L1182 T1187 M1188 | T1145-L1184 HydrophobicContact CG2-CD2 4.31Å; C1148-L1184 HydrophobicContact CB-CD2 4.05Å; L1167-L1184 HydrophobicContact CD2-CD2 4.02Å; R1181-L1184 PolarHBondContact O-N 3.27Å; L1182-L1184 VanDerWaalsContact C-N 3.32Å; L1182-L1184 PolarHBondContact O-N 3.32Å; L1184-T1187 WeakPolarHBondContact O-CB 3.39Å; L1184-T1187 PolarHBondContact O-N 3.37Å; L1184-M1188 HydrophobicContact CD1-CG 4.32Å; L1184-M1188 HydrophobicContact CD1-SD 4.17Å; L1184-M1188 HydrophobicContact CG-SD 4.05Å; L1184-M1188 VanDerWaalsContact O-CG 3.27Å; L1184-M1188 WeakPolarHBondContact O-CG 3.32Å; L1184-M1188 PolarHBondContact O-N 2.96Å |
| 1185 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | -178.6 | -158.5 | 70.9 | 0 | 0 | 0 | 112.5 | L1167 A1168 M1171 R1181 L1182 Q1183 T1187 M1188 A1189 L1201 L1205 L1208 | L1167-L1185 HydrophobicContact CD2-CD1 4.38Å; A1168-L1185 HydrophobicContact CB-CD1 4.25Å; A1168-L1185 HydrophobicContact CB-CD2 4.38Å; M1171-L1185 HydrophobicContact CE-CB 4.34Å; M1171-L1185 HydrophobicContact CE-CD2 3.84Å; M1171-L1185 HydrophobicContact SD-CB 4.45Å; M1171-L1185 HydrophobicContact SD-CD1 4.31Å; M1171-L1185 HydrophobicContact SD-CD2 3.96Å; M1171-L1185 HydrophobicContact SD-CG 4.49Å; R1181-L1185 PolarHBondContact O-N 3.05Å; L1182-L1185 PolarHBondContact O-N 2.88Å; L1182-L1185 VanDerWaalsContact O-N 3.15Å; Q1183-L1185 VanDerWaalsContact C-N 3.33Å; Q1183-L1185 PolarHBondContact O-N 2.74Å; L1185-T1187 VanDerWaalsContact C-N 3.34Å; L1185-M1188 PolarHBondContact O-N 3.21Å; L1185-A1189 WeakPolarHBondContact O-CB 3.33Å; L1185-A1189 PolarHBondContact O-N 2.71Å; L1185-L1201 HydrophobicContact CD1-CD2 3.41Å; L1185-L1201 VanDerWaalsContact CD1-CD2 3.41Å; L1185-L1201 HydrophobicContact CG-CD2 4.08Å; L1185-L1205 HydrophobicContact CD2-CD2 3.69Å; L1185-L1205 HydrophobicContact CD2-CG 4.25Å; L1185-L1205 HydrophobicContact CG-CD2 4.36Å; L1185-L1208 HydrophobicContact CD2-CD1 3.48Å; L1185-L1208 VanDerWaalsContact CD2-CD1 3.48Å |
| 1186 | F | 97.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 175.3 | -84.6 | -77.5 | 0 | 0 | 0 | 112.2 | L1182 M1188 A1189 E1190 L1205 W1219 N1222 | L1182-F1186 HydrophobicContact CD2-CE2 4.47Å; L1182-F1186 WeakPolarHBondContact O-CD2 3.18Å; L1182-F1186 PolarHBondContact O-N 3.39Å; F1186-M1188 VanDerWaalsContact C-N 3.32Å; F1186-M1188 PolarHBondContact O-N 3.42Å; F1186-A1189 PolarHBondContact O-N 3.01Å; F1186-E1190 WeakPolarHBondContact O-CB 3.4Å; F1186-E1190 PolarHBondContact O-N 3.25Å; F1186-L1205 HydrophobicContact CD1-CD1 4.04Å; F1186-L1205 HydrophobicContact CD2-CD2 4.18Å; F1186-L1205 HydrophobicContact CE1-CD1 3.73Å; F1186-L1205 HydrophobicContact CE1-CD2 4.09Å; F1186-L1205 HydrophobicContact CE2-CD2 3.61Å; F1186-L1205 HydrophobicContact CZ-CD1 4.08Å; F1186-L1205 HydrophobicContact CZ-CD2 3.57Å; F1186-L1205 HydrophobicContact CZ-CG 4.4Å; F1186-W1219 HydrophobicContact CB-CE3 4.2Å; F1186-W1219 HydrophobicContact CB-CZ3 4.28Å; F1186-W1219 HydrophobicContact CD2-CB 4.09Å; F1186-W1219 AromaticContact CD2-CD2 3.82Å; F1186-W1219 HydrophobicContact CD2-CD2 3.82Å; F1186-W1219 AromaticContact CD2-CE3 3.59Å; F1186-W1219 HydrophobicContact CD2-CE3 3.59Å; F1186-W1219 HydrophobicContact CD2-CG 4.06Å; F1186-W1219 HydrophobicContact CD2-CZ3 4.29Å; F1186-W1219 HydrophobicContact CE1-CB 4.12Å; F1186-W1219 HydrophobicContact CE2-CB 3.37Å; F1186-W1219 AromaticContact CE2-CD2 3.93Å; F1186-W1219 HydrophobicContact CE2-CD2 3.93Å; F1186-W1219 HydrophobicContact CE2-CE3 4.1Å; F1186-W1219 AromaticContact CE2-CG 3.65Å; F1186-W1219 HydrophobicContact CE2-CG 3.65Å; F1186-W1219 AromaticContact CG-CE3 3.87Å; F1186-W1219 HydrophobicContact CG-CE3 3.87Å; F1186-W1219 HydrophobicContact CG-CZ3 4.43Å; F1186-W1219 HydrophobicContact CZ-CB 3.38Å; F1186-W1219 HydrophobicContact CZ-CG 4.19Å; F1186-N1222 HydrophobicContact CD1-CB 3.7Å; F1186-N1222 HydrophobicContact CE1-CB 3.8Å |
| 1187 | T | 95.7 | Very high | 95 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 173.6 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | Q1183 L1184 L1185 E1190 R1191 | Q1183-T1187 VanDerWaalsContact O-CB 3.27Å; Q1183-T1187 WeakPolarHBondContact O-CB 3.16Å; Q1183-T1187 PolarHBondContact O-N 3.47Å; Q1183-T1187 PolarHBondContact O-OG1 2.97Å; L1184-T1187 WeakPolarHBondContact O-CB 3.39Å; L1184-T1187 PolarHBondContact O-N 3.37Å; L1185-T1187 VanDerWaalsContact C-N 3.34Å; T1187-E1190 PolarHBondContact O-N 3.28Å; T1187-R1191 WeakPolarHBondContact O-CB 3.16Å; T1187-R1191 PolarHBondContact O-N 2.82Å |
| 1188 | M | 95.9 | Very high | 95.3 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 175.7 | -67.1 | 170.4 | 72.7 | 0 | 0 | 111.8 | C1148 L1184 L1185 F1186 E1190 S1192 L1201 | C1148-M1188 HydrophobicContact CB-CE 4Å; C1148-M1188 HydrophobicContact CB-SD 3.81Å; L1184-M1188 HydrophobicContact CD1-CG 4.32Å; L1184-M1188 HydrophobicContact CD1-SD 4.17Å; L1184-M1188 HydrophobicContact CG-SD 4.05Å; L1184-M1188 VanDerWaalsContact O-CG 3.27Å; L1184-M1188 WeakPolarHBondContact O-CG 3.32Å; L1184-M1188 PolarHBondContact O-N 2.96Å; L1185-M1188 PolarHBondContact O-N 3.21Å; F1186-M1188 VanDerWaalsContact C-N 3.32Å; F1186-M1188 PolarHBondContact O-N 3.42Å; M1188-E1190 PolarHBondContact O-N 3.42Å; M1188-S1192 WeakPolarHBondContact O-CB 3.29Å; M1188-S1192 PolarHBondContact O-N 3.19Å; M1188-L1201 HydrophobicContact CB-CD1 3.56Å |
| 1189 | A | 95 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -27.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1185 F1186 R1198 L1201 I1202 L1205 R1226 | L1185-A1189 WeakPolarHBondContact O-CB 3.33Å; L1185-A1189 PolarHBondContact O-N 2.71Å; F1186-A1189 PolarHBondContact O-N 3.01Å; A1189-R1198 WeakPolarHBondContact O-CD 3.42Å; A1189-L1201 HydrophobicContact CB-CB 4.16Å; A1189-L1201 HydrophobicContact CB-CD1 4.3Å; A1189-I1202 HydrophobicContact CB-CD1 4.24Å; A1189-L1205 HydrophobicContact CB-CD1 4.09Å; A1189-R1226 PolarHBondContact O-NH1 3.04Å |
| 1190 | E | 94.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -87.4 | -49.5 | 177.2 | 179.3 | 179.4 | 142.1 | 0 | 0 | 113.9 | F1186 T1187 M1188 | F1186-E1190 WeakPolarHBondContact O-CB 3.4Å; F1186-E1190 PolarHBondContact O-N 3.25Å; T1187-E1190 PolarHBondContact O-N 3.28Å; M1188-E1190 PolarHBondContact O-N 3.42Å |
| 1191 | R | 93.1 | Very high | 95.5 | Very high | 179 Ų | 179 | 48.1 Ų | 48.1 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -108.8 | -6 | -162.9 | -59.8 | -169.9 | 175.2 | -170.6 | -2.8 | 114.9 | T1187 Q1193 | T1187-R1191 WeakPolarHBondContact O-CB 3.16Å; T1187-R1191 PolarHBondContact O-N 2.82Å; R1191-Q1193 PolarHBondContact O-N 3.43Å |
| 1192 | S | 94.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | trans | -60 | 134.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | M1188 S1194 R1198 | M1188-S1192 WeakPolarHBondContact O-CB 3.29Å; M1188-S1192 PolarHBondContact O-N 3.19Å; S1192-S1194 VanDerWaalsContact C-N 3.35Å; S1192-S1194 PolarHBondContact OG-N 3.26Å; S1192-S1194 PolarHBondContact OG-O 3.01Å; S1192-R1198 WeakPolarHBondContact O-CD 3.34Å; S1192-R1198 PolarHBondContact O-NH1 3.41Å | ||
| 1193 | Q | 92.9 | Very high | 95.5 | Very high | 180 Ų | 180 | 48.5 Ų | 48.5 | 84% | 0.841 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73.2 | -30.9 | 175.1 | -61.7 | -61.2 | -23.9 | 0 | 0 | 111.6 | R1191 E1195 | R1191-Q1193 PolarHBondContact O-N 3.43Å; Q1193-E1195 PolarHBondContact O-N 3.17Å |
| 1194 | S | 93.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | trans | -73.8 | 119.3 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | E1157 S1192 I1196 V1197 R1198 | E1157-S1194 WeakPolarHBondContact CG-OG 3.29Å; E1157-S1194 WeakPolarHBondContact OE1-CB 3.33Å; E1157-S1194 PolarHBondContact OE1-OG 3.14Å; S1192-S1194 VanDerWaalsContact C-N 3.35Å; S1192-S1194 PolarHBondContact OG-N 3.26Å; S1192-S1194 PolarHBondContact OG-O 3.01Å; S1194-I1196 VanDerWaalsContact C-N 3.3Å; S1194-I1196 PolarHBondContact OG-N 2.9Å; S1194-V1197 PolarHBondContact O-N 3.41Å; S1194-V1197 WeakPolarHBondContact OG-CG2 3.43Å; S1194-V1197 PolarHBondContact OG-N 3.33Å; S1194-R1198 WeakPolarHBondContact O-CG 3.44Å; S1194-R1198 PolarHBondContact O-N 2.92Å | ||
| 1195 | E | 94.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 38% | 0.379 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.9 | -30.1 | 172.2 | 55 | 157 | -143.5 | 0 | 0 | 113 | Q1193 R1198 A1199 S1231 V1234 | Q1193-E1195 PolarHBondContact O-N 3.17Å; E1195-R1198 PolarHBondContact O-N 3.31Å; E1195-A1199 VanDerWaalsContact O-CB 3.22Å; E1195-A1199 WeakPolarHBondContact O-CB 3.4Å; E1195-A1199 PolarHBondContact O-N 3.34Å; E1195-S1231 WeakPolarHBondContact OE2-CB 2.91Å; E1195-S1231 PolarHBondContact OE2-OG 3.41Å; E1195-V1234 HydrophobicContact CB-CG2 4.44Å |
| 1196 | I | 93.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.1 | -61.2 | 173.6 | 0 | 0 | 0 | 109.6 | A1161 S1194 A1199 N1200 | A1161-I1196 HydrophobicContact CB-CG2 4.42Å; S1194-I1196 VanDerWaalsContact C-N 3.3Å; S1194-I1196 PolarHBondContact OG-N 2.9Å; I1196-A1199 PolarHBondContact O-N 3.27Å; I1196-N1200 WeakPolarHBondContact O-CB 3.46Å; I1196-N1200 VanDerWaalsContact O-CG 3.23Å; I1196-N1200 PolarHBondContact O-N 3.05Å; I1196-N1200 PolarHBondContact O-ND2 3.41Å |
| 1197 | V | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -51 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | Q1160 A1161 S1194 A1199 N1200 L1201 | Q1160-V1197 HydrophobicContact CB-CG2 4.09Å; A1161-V1197 HydrophobicContact CB-CG2 4.07Å; S1194-V1197 PolarHBondContact O-N 3.41Å; S1194-V1197 WeakPolarHBondContact OG-CG2 3.43Å; S1194-V1197 PolarHBondContact OG-N 3.33Å; V1197-A1199 PolarHBondContact O-N 3.01Å; V1197-N1200 PolarHBondContact O-N 3.04Å; V1197-L1201 HydrophobicContact CG1-CD1 3.87Å; V1197-L1201 HydrophobicContact CG1-CG 4.37Å; V1197-L1201 WeakPolarHBondContact O-CB 3.5Å; V1197-L1201 VanDerWaalsContact O-CG 3.24Å; V1197-L1201 WeakPolarHBondContact O-CG 3.15Å; V1197-L1201 PolarHBondContact O-N 2.87Å |
| 1198 | R | 97.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.2 | -49.9 | 180 | -64.4 | -161.8 | -52.9 | -107 | 5.8 | 110.9 | A1189 S1192 S1194 E1195 N1200 L1201 I1202 D1229 T1230 V1234 | A1189-R1198 WeakPolarHBondContact O-CD 3.42Å; S1192-R1198 WeakPolarHBondContact O-CD 3.34Å; S1192-R1198 PolarHBondContact O-NH1 3.41Å; S1194-R1198 WeakPolarHBondContact O-CG 3.44Å; S1194-R1198 PolarHBondContact O-N 2.92Å; E1195-R1198 PolarHBondContact O-N 3.31Å; R1198-N1200 PolarHBondContact O-N 3.15Å; R1198-L1201 PolarHBondContact O-N 3.43Å; R1198-I1202 VanDerWaalsContact O-CG1 3.3Å; R1198-I1202 WeakPolarHBondContact O-CG1 3.13Å; R1198-I1202 PolarHBondContact O-N 3.43Å; R1198-D1229 IonicContact CZ-OD1 3.92Å; R1198-D1229 IonicContact CZ-OD2 3.34Å; R1198-D1229 IonicContact NE-OD1 2.72Å; R1198-D1229 PolarHBondContact NE-OD1 3.44Å; R1198-D1229 IonicContact NE-OD2 2.81Å; R1198-D1229 PolarHBondContact NE-OD2 3.44Å; R1198-D1229 VanDerWaalsContact NE-OD2 3.17Å; R1198-D1229 IonicContact NH2-OD1 3.9Å; R1198-D1229 PolarHBondContact NH2-OD1 3.28Å; R1198-D1229 IonicContact NH2-OD2 3.4Å; R1198-T1230 PolarHBondContact NH2-OG1 3.3Å; R1198-V1234 HydrophobicContact CB-CG1 4.26Å; R1198-V1234 HydrophobicContact CB-CG2 3.66Å |
| 1199 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E1195 I1196 V1197 I1202 K1233 V1234 N1237 | E1195-A1199 VanDerWaalsContact O-CB 3.22Å; E1195-A1199 WeakPolarHBondContact O-CB 3.4Å; E1195-A1199 PolarHBondContact O-N 3.34Å; I1196-A1199 PolarHBondContact O-N 3.27Å; V1197-A1199 PolarHBondContact O-N 3.01Å; A1199-I1202 PolarHBondContact O-N 2.89Å; A1199-K1233 HydrophobicContact CB-CD 4.49Å; A1199-K1233 HydrophobicContact CB-CG 4.06Å; A1199-V1234 HydrophobicContact CB-CG2 4.07Å; A1199-N1237 PolarHBondContact O-ND2 3.45Å |
| 1200 | N | 94.6 | Very high | 95 | Very high | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 176.1 | -72.2 | -11.6 | 0 | 0 | 0 | 111.6 | I1196 V1197 R1198 I1202 V1203 A1204 | I1196-N1200 WeakPolarHBondContact O-CB 3.46Å; I1196-N1200 VanDerWaalsContact O-CG 3.23Å; I1196-N1200 PolarHBondContact O-N 3.05Å; I1196-N1200 PolarHBondContact O-ND2 3.41Å; V1197-N1200 PolarHBondContact O-N 3.04Å; R1198-N1200 PolarHBondContact O-N 3.15Å; N1200-I1202 VanDerWaalsContact C-N 3.31Å; N1200-I1202 PolarHBondContact O-N 3.45Å; N1200-V1203 PolarHBondContact O-N 3.02Å; N1200-A1204 PolarHBondContact O-N 3.45Å |
| 1201 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 177.7 | -75 | -178.8 | 0 | 0 | 0 | 112.6 | A1168 L1185 M1188 A1189 V1197 R1198 A1204 L1205 | A1168-L1201 HydrophobicContact CB-CD2 4.39Å; L1185-L1201 HydrophobicContact CD1-CD2 3.41Å; L1185-L1201 VanDerWaalsContact CD1-CD2 3.41Å; L1185-L1201 HydrophobicContact CG-CD2 4.08Å; M1188-L1201 HydrophobicContact CB-CD1 3.56Å; A1189-L1201 HydrophobicContact CB-CB 4.16Å; A1189-L1201 HydrophobicContact CB-CD1 4.3Å; V1197-L1201 HydrophobicContact CG1-CD1 3.87Å; V1197-L1201 HydrophobicContact CG1-CG 4.37Å; V1197-L1201 WeakPolarHBondContact O-CB 3.5Å; V1197-L1201 VanDerWaalsContact O-CG 3.24Å; V1197-L1201 WeakPolarHBondContact O-CG 3.15Å; V1197-L1201 PolarHBondContact O-N 2.87Å; R1198-L1201 PolarHBondContact O-N 3.43Å; L1201-A1204 PolarHBondContact O-N 3.36Å; L1201-L1205 VanDerWaalsContact O-CB 3.31Å; L1201-L1205 WeakPolarHBondContact O-CB 3.4Å; L1201-L1205 WeakPolarHBondContact O-CG 3.32Å; L1201-L1205 PolarHBondContact O-N 3.48Å |
| 1202 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.4 | -61.2 | -36.4 | 0 | 0 | 0 | 111.4 | A1189 R1198 A1199 N1200 A1204 L1205 G1206 L1223 R1226 V1234 N1237 A1238 | A1189-I1202 HydrophobicContact CB-CD1 4.24Å; R1198-I1202 VanDerWaalsContact O-CG1 3.3Å; R1198-I1202 WeakPolarHBondContact O-CG1 3.13Å; R1198-I1202 PolarHBondContact O-N 3.43Å; A1199-I1202 PolarHBondContact O-N 2.89Å; N1200-I1202 VanDerWaalsContact C-N 3.31Å; N1200-I1202 PolarHBondContact O-N 3.45Å; I1202-A1204 VanDerWaalsContact C-N 3.33Å; I1202-A1204 PolarHBondContact O-N 2.8Å; I1202-L1205 HydrophobicContact CD1-CD1 4.45Å; I1202-L1205 PolarHBondContact O-N 3.36Å; I1202-G1206 PolarHBondContact O-N 3.32Å; I1202-L1223 HydrophobicContact CG2-CD1 4.18Å; I1202-R1226 HydrophobicContact CD1-CB 3.94Å; I1202-R1226 HydrophobicContact CD1-CG 3.51Å; I1202-R1226 HydrophobicContact CG1-CB 4.44Å; I1202-R1226 HydrophobicContact CG1-CG 4.49Å; I1202-V1234 HydrophobicContact CG1-CG1 3.95Å; I1202-N1237 HydrophobicContact CB-CB 4.48Å; I1202-N1237 HydrophobicContact CG2-CB 4.48Å; I1202-A1238 VanDerWaalsContact CG2-CA 3.44Å; I1202-A1238 HydrophobicContact CG2-CB 3.88Å |
| 1203 | V | 96.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | N1200 L1205 G1206 D1207 N1237 | N1200-V1203 PolarHBondContact O-N 3.02Å; V1203-L1205 PolarHBondContact O-N 3.04Å; V1203-G1206 WeakPolarHBondContact O-CA 3.36Å; V1203-G1206 PolarHBondContact O-N 2.8Å; V1203-D1207 PolarHBondContact O-N 3.04Å; V1203-D1207 VanDerWaalsContact O-N 3.09Å; V1203-N1237 HydrophobicContact CG2-CB 4.18Å |
| 1204 | A | 95.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1168 N1200 L1201 I1202 G1206 D1207 L1208 | A1168-A1204 HydrophobicContact CB-CB 3.53Å; N1200-A1204 PolarHBondContact O-N 3.45Å; L1201-A1204 PolarHBondContact O-N 3.36Å; I1202-A1204 VanDerWaalsContact C-N 3.33Å; I1202-A1204 PolarHBondContact O-N 2.8Å; A1204-G1206 PolarHBondContact O-N 2.63Å; A1204-D1207 PolarHBondContact O-N 3.21Å; A1204-L1208 WeakPolarHBondContact O-CG 3.41Å; A1204-L1208 PolarHBondContact O-N 2.94Å |
| 1205 | L | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 170.6 | -77.3 | 169.6 | 0 | 0 | 0 | 111.6 | L1185 F1186 A1189 L1201 I1202 V1203 L1208 C1209 L1223 | L1185-L1205 HydrophobicContact CD2-CD2 3.69Å; L1185-L1205 HydrophobicContact CD2-CG 4.25Å; L1185-L1205 HydrophobicContact CG-CD2 4.36Å; F1186-L1205 HydrophobicContact CD1-CD1 4.04Å; F1186-L1205 HydrophobicContact CD2-CD2 4.18Å; F1186-L1205 HydrophobicContact CE1-CD1 3.73Å; F1186-L1205 HydrophobicContact CE1-CD2 4.09Å; F1186-L1205 HydrophobicContact CE2-CD2 3.61Å; F1186-L1205 HydrophobicContact CZ-CD1 4.08Å; F1186-L1205 HydrophobicContact CZ-CD2 3.57Å; F1186-L1205 HydrophobicContact CZ-CG 4.4Å; A1189-L1205 HydrophobicContact CB-CD1 4.09Å; L1201-L1205 VanDerWaalsContact O-CB 3.31Å; L1201-L1205 WeakPolarHBondContact O-CB 3.4Å; L1201-L1205 WeakPolarHBondContact O-CG 3.32Å; L1201-L1205 PolarHBondContact O-N 3.48Å; I1202-L1205 HydrophobicContact CD1-CD1 4.45Å; I1202-L1205 PolarHBondContact O-N 3.36Å; V1203-L1205 PolarHBondContact O-N 3.04Å; L1205-L1208 HydrophobicContact CD2-CD1 4.29Å; L1205-L1208 PolarHBondContact O-N 3.09Å; L1205-C1209 WeakPolarHBondContact O-CB 3.4Å; L1205-C1209 PolarHBondContact O-N 2.71Å; L1205-L1223 HydrophobicContact CB-CD1 4.19Å; L1205-L1223 HydrophobicContact CD1-CD1 4.41Å |
| 1206 | G | 94.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | I1202 V1203 A1204 C1209 R1210 T1241 | I1202-G1206 PolarHBondContact O-N 3.32Å; V1203-G1206 WeakPolarHBondContact O-CA 3.36Å; V1203-G1206 PolarHBondContact O-N 2.8Å; A1204-G1206 PolarHBondContact O-N 2.63Å; G1206-C1209 WeakPolarHBondContact O-CB 3.42Å; G1206-C1209 PolarHBondContact O-N 3.12Å; G1206-R1210 PolarHBondContact O-N 2.68Å; G1206-R1210 VanDerWaalsContact O-N 3.09Å; G1206-T1241 VanDerWaalsContact CA-CG2 3.42Å |
| 1207 | D | 95 | Very high | 94.3 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 35% | 0.348 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.9 | -65.2 | -25.4 | 0 | 0 | 0 | 111.7 | L1172 V1203 A1204 C1209 R1210 R1211 | L1172-D1207 HydrophobicContact CD1-CB 4.31Å; L1172-D1207 HydrophobicContact CD2-CB 4.04Å; V1203-D1207 PolarHBondContact O-N 3.04Å; V1203-D1207 VanDerWaalsContact O-N 3.09Å; A1204-D1207 PolarHBondContact O-N 3.21Å; D1207-C1209 VanDerWaalsContact C-N 3.3Å; D1207-C1209 PolarHBondContact O-N 3.08Å; D1207-R1210 PolarHBondContact O-N 3.43Å; D1207-R1210 IonicContact OD1-NH1 3.2Å; D1207-R1210 PolarHBondContact OD1-NH1 2.71Å; D1207-R1211 WeakPolarHBondContact O-CB 3.47Å; D1207-R1211 PolarHBondContact O-N 2.98Å |
| 1208 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | 173.3 | -71 | 169.4 | 0 | 0 | 0 | 112.2 | M1171 L1172 L1185 A1204 L1205 R1210 R1211 F1212 I1216 | M1171-L1208 HydrophobicContact CB-CD2 3.95Å; M1171-L1208 HydrophobicContact CE-CD1 4.1Å; L1172-L1208 HydrophobicContact CD2-CD2 3.71Å; L1172-L1208 HydrophobicContact CD2-CG 4.12Å; L1172-L1208 HydrophobicContact CG-CD2 3.9Å; L1172-L1208 HydrophobicContact CG-CG 4.45Å; L1185-L1208 HydrophobicContact CD2-CD1 3.48Å; L1185-L1208 VanDerWaalsContact CD2-CD1 3.48Å; A1204-L1208 WeakPolarHBondContact O-CG 3.41Å; A1204-L1208 PolarHBondContact O-N 2.94Å; L1205-L1208 HydrophobicContact CD2-CD1 4.29Å; L1205-L1208 PolarHBondContact O-N 3.09Å; L1208-R1210 VanDerWaalsContact C-N 3.35Å; L1208-R1211 PolarHBondContact O-N 3.17Å; L1208-F1212 HydrophobicContact CD2-CD2 4.2Å; L1208-F1212 HydrophobicContact CD2-CE2 4.31Å; L1208-F1212 PolarHBondContact O-N 2.63Å; L1208-I1216 HydrophobicContact CB-CD1 4.19Å; L1208-I1216 HydrophobicContact CB-CG1 4.31Å |
| 1209 | C | 93.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | L1205 G1206 D1207 R1211 P1213 I1216 L1245 V1251 | L1205-C1209 WeakPolarHBondContact O-CB 3.4Å; L1205-C1209 PolarHBondContact O-N 2.71Å; G1206-C1209 WeakPolarHBondContact O-CB 3.42Å; G1206-C1209 PolarHBondContact O-N 3.12Å; D1207-C1209 VanDerWaalsContact C-N 3.3Å; D1207-C1209 PolarHBondContact O-N 3.08Å; C1209-R1211 VanDerWaalsContact C-N 3.31Å; C1209-P1213 WeakPolarHBondContact O-CA 3.21Å; C1209-I1216 HydrophobicContact CB-CB 4.43Å; C1209-I1216 HydrophobicContact CB-CG2 3.97Å; C1209-L1245 HydrophobicContact CB-CD1 4Å; C1209-L1245 HydrophobicContact CB-CD2 4.04Å; C1209-V1251 WeakPolarHBondContact SG-CG2 3.44Å |
| 1210 | R | 91.5 | Very high | 93.5 | Very high | 96 Ų | 96 | 42.2 Ų | 42.2 | 36% | 0.362 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 173.3 | -63.4 | -166.6 | -171.6 | 93.3 | 1.5 | 112.4 | G1206 D1207 L1208 L1245 M1250 | G1206-R1210 PolarHBondContact O-N 2.68Å; G1206-R1210 VanDerWaalsContact O-N 3.09Å; D1207-R1210 PolarHBondContact O-N 3.43Å; D1207-R1210 IonicContact OD1-NH1 3.2Å; D1207-R1210 PolarHBondContact OD1-NH1 2.71Å; L1208-R1210 VanDerWaalsContact C-N 3.35Å; R1210-L1245 HydrophobicContact CG-CD2 3.65Å; R1210-M1250 HydrophobicContact CB-CE 4.27Å; R1210-M1250 HydrophobicContact CG-CG 4.26Å; R1210-M1250 VanDerWaalsContact O-CE 3.32Å; R1210-M1250 WeakPolarHBondContact O-CE 3.21Å |
| 1211 | R | 91.5 | Very high | 93.3 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.9 | -48.8 | -174.7 | -174.2 | 66.7 | 175.8 | -179.7 | 6.8 | 113.4 | E1048 L1172 D1207 L1208 C1209 | E1048-R1211 IonicContact OE1-CZ 2.74Å; E1048-R1211 IonicContact OE1-NH1 3.91Å; E1048-R1211 PolarHBondContact OE1-NH1 3.25Å; E1048-R1211 IonicContact OE1-NH2 2.86Å; E1048-R1211 PolarHBondContact OE1-NH2 3.25Å; E1048-R1211 IonicContact OE2-CZ 3.69Å; E1048-R1211 IonicContact OE2-NH1 3.32Å; E1048-R1211 PolarHBondContact OE2-NH1 2.91Å; E1048-R1211 IonicContact OE2-NH2 3.05Å; L1172-R1211 HydrophobicContact CD2-CB 3.85Å; L1172-R1211 HydrophobicContact CD2-CG 4.15Å; L1172-R1211 PolarHBondContact O-NE 3.46Å; L1172-R1211 VanDerWaalsContact O-NE 3.12Å; D1207-R1211 WeakPolarHBondContact O-CB 3.47Å; D1207-R1211 PolarHBondContact O-N 2.98Å; L1208-R1211 PolarHBondContact O-N 3.17Å; C1209-R1211 VanDerWaalsContact C-N 3.31Å |
| 1212 | F | 93.4 | Very high | 93 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 11% | 0.114 | 23% | 0.234 | C | C | . | . | trans | -128.7 | 65.2 | -174.2 | -51.9 | -62.7 | 0 | 0 | 0 | 110.7 | M1171 L1172 A1175 C1178 L1208 N1214 L1215 I1216 | M1171-F1212 VanDerWaalsContact O-CE2 3.3Å; M1171-F1212 WeakPolarHBondContact O-CE2 3.43Å; L1172-F1212 WeakPolarHBondContact O-CZ 3.38Å; A1175-F1212 HydrophobicContact CB-CD1 4Å; A1175-F1212 HydrophobicContact CB-CE1 3.87Å; A1175-F1212 HydrophobicContact CB-CZ 4.45Å; C1178-F1212 HydrophobicContact CB-CD2 4.22Å; C1178-F1212 HydrophobicContact CB-CE2 4.15Å; L1208-F1212 HydrophobicContact CD2-CD2 4.2Å; L1208-F1212 HydrophobicContact CD2-CE2 4.31Å; L1208-F1212 PolarHBondContact O-N 2.63Å; F1212-N1214 PolarHBondContact O-N 3.49Å; F1212-L1215 HydrophobicContact CB-CB 4Å; F1212-L1215 HydrophobicContact CB-CD1 3.97Å; F1212-L1215 HydrophobicContact CB-CG 4.12Å; F1212-L1215 HydrophobicContact CG-CD1 4.22Å; F1212-L1215 PolarHBondContact O-N 3Å; F1212-I1216 PolarHBondContact O-N 3.36Å; F1212-I1216 VanDerWaalsContact O-N 3.15Å | ||
| 1213 | P | 90.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 31% | 0.312 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.4 | -39 | -174.4 | 21.6 | -33.3 | 0 | 0 | 0 | 112.4 | C1209 L1215 I1216 E1217 | C1209-P1213 WeakPolarHBondContact O-CA 3.21Å; P1213-L1215 VanDerWaalsContact C-N 3.34Å; P1213-L1215 PolarHBondContact O-N 3.3Å; P1213-I1216 PolarHBondContact O-N 2.94Å; P1213-E1217 WeakPolarHBondContact O-CB 3.24Å; P1213-E1217 PolarHBondContact O-N 2.95Å |
| 1214 | N | 90.9 | Very high | 92.6 | Very high | 138 Ų | 138 | 42.6 Ų | 42.6 | 74% | 0.738 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.6 | -33.9 | 179.6 | -62.2 | -22.3 | 0 | 0 | 0 | 113.2 | F1212 | F1212-N1214 PolarHBondContact O-N 3.49Å |
| 1215 | L | 94.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.5 | -32.5 | 177.6 | -67.1 | -175 | 0 | 0 | 0 | 111.9 | A1175 C1178 E1179 L1182 F1212 P1213 W1219 | A1175-L1215 HydrophobicContact CB-CD1 3.85Å; C1178-L1215 HydrophobicContact CB-CD1 4.38Å; E1179-L1215 HydrophobicContact CB-CD1 4.37Å; L1182-L1215 HydrophobicContact CD1-CB 4.19Å; F1212-L1215 HydrophobicContact CB-CB 4Å; F1212-L1215 HydrophobicContact CB-CD1 3.97Å; F1212-L1215 HydrophobicContact CB-CG 4.12Å; F1212-L1215 HydrophobicContact CG-CD1 4.22Å; F1212-L1215 PolarHBondContact O-N 3Å; P1213-L1215 VanDerWaalsContact C-N 3.34Å; P1213-L1215 PolarHBondContact O-N 3.3Å; L1215-W1219 VanDerWaalsContact O-CD1 3.25Å |
| 1216 | I | 92.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -90.9 | -21.9 | -175.8 | -57 | -60.5 | 0 | 0 | 0 | 112.7 | L1182 L1208 C1209 F1212 P1213 P1218 W1219 T1220 | L1182-I1216 HydrophobicContact CD1-CD1 4.27Å; L1182-I1216 HydrophobicContact CD2-CD1 3.37Å; L1182-I1216 HydrophobicContact CG-CD1 4.48Å; L1208-I1216 HydrophobicContact CB-CD1 4.19Å; L1208-I1216 HydrophobicContact CB-CG1 4.31Å; C1209-I1216 HydrophobicContact CB-CB 4.43Å; C1209-I1216 HydrophobicContact CB-CG2 3.97Å; F1212-I1216 PolarHBondContact O-N 3.36Å; F1212-I1216 VanDerWaalsContact O-N 3.15Å; P1213-I1216 PolarHBondContact O-N 2.94Å; I1216-P1218 VanDerWaalsContact C-CD 3.49Å; I1216-W1219 CarbonylContact O-C 3.59Å; I1216-W1219 WeakPolarHBondContact O-CA 3.36Å; I1216-W1219 PolarHBondContact O-N 3.08Å; I1216-T1220 PolarHBondContact O-N 3.25Å; I1216-T1220 PolarHBondContact O-OG1 3.4Å |
| 1217 | E | 89.1 | Confident | 92.2 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -50.5 | -46.8 | -180 | 179.6 | 175.5 | -164.6 | 0 | 0 | 113.1 | P1213 W1219 T1220 K1254 | P1213-E1217 WeakPolarHBondContact O-CB 3.24Å; P1213-E1217 PolarHBondContact O-N 2.95Å; E1217-W1219 PolarHBondContact O-N 3.46Å; E1217-T1220 WeakPolarHBondContact CA-OG1 3.46Å; E1217-T1220 WeakPolarHBondContact O-CB 3.22Å; E1217-T1220 PolarHBondContact O-N 2.87Å; E1217-T1220 PolarHBondContact O-OG1 2.88Å; E1217-K1254 IonicContact OE1-NZ 2.59Å; E1217-K1254 PolarHBondContact OE1-NZ 2.75Å |
| 1218 | P | 91.1 | Very high | 92 | Very high | 93 Ų | 93 | 49.8 Ų | 49.8 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -62.9 | -25.5 | 177.5 | -22.2 | 34.6 | 0 | 0 | 0 | 113.9 | I1216 P1221 | I1216-P1218 VanDerWaalsContact C-CD 3.49Å; P1218-P1221 WeakPolarHBondContact O-CD 3.37Å |
| 1219 | W | 91.8 | Very high | 92 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 28% | 0.277 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -96 | -4.9 | -178.2 | -57.5 | 88.6 | 0 | 0 | 0 | 113.7 | L1182 Q1183 F1186 L1215 I1216 E1217 P1221 N1222 L1223 | L1182-W1219 HydrophobicContact CB-CZ2 4.38Å; Q1183-W1219 HydrophobicContact CB-CH2 3.94Å; Q1183-W1219 HydrophobicContact CG-CH2 4.24Å; F1186-W1219 HydrophobicContact CB-CE3 4.2Å; F1186-W1219 HydrophobicContact CB-CZ3 4.28Å; F1186-W1219 HydrophobicContact CD2-CB 4.09Å; F1186-W1219 AromaticContact CD2-CD2 3.82Å; F1186-W1219 HydrophobicContact CD2-CD2 3.82Å; F1186-W1219 AromaticContact CD2-CE3 3.59Å; F1186-W1219 HydrophobicContact CD2-CE3 3.59Å; F1186-W1219 HydrophobicContact CD2-CG 4.06Å; F1186-W1219 HydrophobicContact CD2-CZ3 4.29Å; F1186-W1219 HydrophobicContact CE1-CB 4.12Å; F1186-W1219 HydrophobicContact CE2-CB 3.37Å; F1186-W1219 AromaticContact CE2-CD2 3.93Å; F1186-W1219 HydrophobicContact CE2-CD2 3.93Å; F1186-W1219 HydrophobicContact CE2-CE3 4.1Å; F1186-W1219 AromaticContact CE2-CG 3.65Å; F1186-W1219 HydrophobicContact CE2-CG 3.65Å; F1186-W1219 AromaticContact CG-CE3 3.87Å; F1186-W1219 HydrophobicContact CG-CE3 3.87Å; F1186-W1219 HydrophobicContact CG-CZ3 4.43Å; F1186-W1219 HydrophobicContact CZ-CB 3.38Å; F1186-W1219 HydrophobicContact CZ-CG 4.19Å; L1215-W1219 VanDerWaalsContact O-CD1 3.25Å; I1216-W1219 CarbonylContact O-C 3.59Å; I1216-W1219 WeakPolarHBondContact O-CA 3.36Å; I1216-W1219 PolarHBondContact O-N 3.08Å; E1217-W1219 PolarHBondContact O-N 3.46Å; W1219-P1221 VanDerWaalsContact C-N 3.31Å; W1219-N1222 WeakPolarHBondContact O-CA 3.47Å; W1219-N1222 VanDerWaalsContact O-CB 3.3Å; W1219-N1222 WeakPolarHBondContact O-CB 3.35Å; W1219-N1222 PolarHBondContact O-N 2.9Å; W1219-L1223 PolarHBondContact O-N 2.94Å |
| 1220 | T | 90.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.5 | -38.9 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | I1216 E1217 N1222 L1223 Y1224 V1251 | I1216-T1220 PolarHBondContact O-N 3.25Å; I1216-T1220 PolarHBondContact O-OG1 3.4Å; E1217-T1220 WeakPolarHBondContact CA-OG1 3.46Å; E1217-T1220 WeakPolarHBondContact O-CB 3.22Å; E1217-T1220 PolarHBondContact O-N 2.87Å; E1217-T1220 PolarHBondContact O-OG1 2.88Å; T1220-N1222 PolarHBondContact O-N 3.33Å; T1220-L1223 WeakPolarHBondContact O-CB 3.49Å; T1220-L1223 PolarHBondContact O-N 3.03Å; T1220-Y1224 HydrophobicContact CG2-CD2 3.83Å; T1220-Y1224 HydrophobicContact CG2-CE2 3.56Å; T1220-Y1224 WeakPolarHBondContact O-CD2 3.3Å; T1220-Y1224 PolarHBondContact O-N 2.9Å; T1220-Y1224 VanDerWaalsContact O-N 3.14Å; T1220-V1251 HydrophobicContact CG2-CG1 3.96Å |
| 1221 | P | 90 | Very high | 92.1 | Very high | 57 Ų | 57 | 52 Ų | 52 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | 172.3 | -18.7 | 25.4 | 0 | 0 | 0 | 113.9 | P1218 W1219 L1223 Y1224 A1225 Q1256 | P1218-P1221 WeakPolarHBondContact O-CD 3.37Å; W1219-P1221 VanDerWaalsContact C-N 3.31Å; P1221-L1223 VanDerWaalsContact C-N 3.31Å; P1221-L1223 PolarHBondContact O-N 3.25Å; P1221-Y1224 PolarHBondContact O-N 3.44Å; P1221-A1225 PolarHBondContact O-N 3.19Å; P1221-Q1256 VanDerWaalsContact CB-NE2 3.3Å; P1221-Q1256 VanDerWaalsContact CG-NE2 3.27Å |
| 1222 | N | 91.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 178.8 | -61.4 | 56.9 | 0 | 0 | 0 | 111.4 | F1186 W1219 T1220 A1225 | F1186-N1222 HydrophobicContact CD1-CB 3.7Å; F1186-N1222 HydrophobicContact CE1-CB 3.8Å; W1219-N1222 WeakPolarHBondContact O-CA 3.47Å; W1219-N1222 VanDerWaalsContact O-CB 3.3Å; W1219-N1222 WeakPolarHBondContact O-CB 3.35Å; W1219-N1222 PolarHBondContact O-N 2.9Å; T1220-N1222 PolarHBondContact O-N 3.33Å; N1222-A1225 PolarHBondContact O-N 3.04Å |
| 1223 | L | 91.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 174.1 | -170 | 64 | 0 | 0 | 0 | 111.1 | I1202 L1205 W1219 T1220 P1221 A1225 R1226 L1242 L1245 | I1202-L1223 HydrophobicContact CG2-CD1 4.18Å; L1205-L1223 HydrophobicContact CB-CD1 4.19Å; L1205-L1223 HydrophobicContact CD1-CD1 4.41Å; W1219-L1223 PolarHBondContact O-N 2.94Å; T1220-L1223 WeakPolarHBondContact O-CB 3.49Å; T1220-L1223 PolarHBondContact O-N 3.03Å; P1221-L1223 VanDerWaalsContact C-N 3.31Å; P1221-L1223 PolarHBondContact O-N 3.25Å; L1223-A1225 VanDerWaalsContact C-N 3.29Å; L1223-A1225 PolarHBondContact O-N 3.44Å; L1223-R1226 WeakPolarHBondContact O-CB 3.5Å; L1223-R1226 PolarHBondContact O-N 3.42Å; L1223-R1226 VanDerWaalsContact O-N 3.16Å; L1223-L1242 HydrophobicContact CD2-CD2 3.66Å; L1223-L1242 HydrophobicContact CD2-CG 4.35Å; L1223-L1242 HydrophobicContact CG-CD2 3.94Å; L1223-L1242 HydrophobicContact CG-CG 4.32Å; L1223-L1245 HydrophobicContact CD2-CD1 4.03Å |
| 1224 | Y | 92.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 173.1 | -78.4 | -78.1 | 0 | 0 | 0 | 112.6 | T1220 P1221 R1226 L1227 L1242 I1246 V1251 Q1256 M1260 | T1220-Y1224 HydrophobicContact CG2-CD2 3.83Å; T1220-Y1224 HydrophobicContact CG2-CE2 3.56Å; T1220-Y1224 WeakPolarHBondContact O-CD2 3.3Å; T1220-Y1224 PolarHBondContact O-N 2.9Å; T1220-Y1224 VanDerWaalsContact O-N 3.14Å; P1221-Y1224 PolarHBondContact O-N 3.44Å; Y1224-R1226 PolarHBondContact O-N 3.44Å; Y1224-R1226 VanDerWaalsContact O-N 3.08Å; Y1224-L1227 HydrophobicContact CD1-CD1 4.05Å; Y1224-L1227 VanDerWaalsContact O-CB 3.3Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.3Å; Y1224-L1227 WeakPolarHBondContact O-CG 3.45Å; Y1224-L1227 PolarHBondContact O-N 3.25Å; Y1224-L1242 HydrophobicContact CD1-CD1 3.71Å; Y1224-L1242 HydrophobicContact CD1-CD2 4.34Å; Y1224-L1242 HydrophobicContact CD2-CD2 4.48Å; Y1224-L1242 HydrophobicContact CE1-CD1 3.97Å; Y1224-L1242 HydrophobicContact CE1-CD2 4.06Å; Y1224-L1242 HydrophobicContact CE2-CD2 4.23Å; Y1224-L1242 HydrophobicContact CG-CD1 4.25Å; Y1224-I1246 HydrophobicContact CE1-CD1 4.49Å; Y1224-I1246 WeakPolarHBondContact OH-CD1 3.49Å; Y1224-V1251 HydrophobicContact CE2-CG1 4.5Å; Y1224-Q1256 HydrophobicContact CD1-CB 4.01Å; Y1224-Q1256 HydrophobicContact CD2-CB 3.56Å; Y1224-Q1256 HydrophobicContact CD2-CG 4.12Å; Y1224-Q1256 HydrophobicContact CE1-CB 4.14Å; Y1224-Q1256 HydrophobicContact CE2-CB 3.68Å; Y1224-Q1256 HydrophobicContact CE2-CG 4.49Å; Y1224-Q1256 VanDerWaalsContact CE2-OE1 3.26Å; Y1224-Q1256 HydrophobicContact CG-CB 3.73Å; Y1224-Q1256 HydrophobicContact CG-CG 4.47Å; Y1224-M1260 HydrophobicContact CD1-CG 4.47Å; Y1224-M1260 HydrophobicContact CE1-CG 4.16Å; Y1224-M1260 HydrophobicContact CE1-SD 4.04Å |
| 1225 | A | 92 | Very high | 92.7 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -20.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1221 N1222 L1223 L1227 R1228 | P1221-A1225 PolarHBondContact O-N 3.19Å; N1222-A1225 PolarHBondContact O-N 3.04Å; L1223-A1225 VanDerWaalsContact C-N 3.29Å; L1223-A1225 PolarHBondContact O-N 3.44Å; A1225-L1227 PolarHBondContact O-N 2.85Å; A1225-R1228 PolarHBondContact O-N 2.85Å; A1225-R1228 VanDerWaalsContact O-N 3.16Å |
| 1226 | R | 94.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -73.8 | -12.5 | 176.1 | -59.8 | -67.4 | 96.7 | -169.2 | 10.3 | 113.6 | A1189 I1202 L1223 Y1224 R1228 D1229 A1238 | A1189-R1226 PolarHBondContact O-NH1 3.04Å; I1202-R1226 HydrophobicContact CD1-CB 3.94Å; I1202-R1226 HydrophobicContact CD1-CG 3.51Å; I1202-R1226 HydrophobicContact CG1-CB 4.44Å; I1202-R1226 HydrophobicContact CG1-CG 4.49Å; L1223-R1226 WeakPolarHBondContact O-CB 3.5Å; L1223-R1226 PolarHBondContact O-N 3.42Å; L1223-R1226 VanDerWaalsContact O-N 3.16Å; Y1224-R1226 PolarHBondContact O-N 3.44Å; Y1224-R1226 VanDerWaalsContact O-N 3.08Å; R1226-R1228 PolarHBondContact O-N 2.99Å; R1226-D1229 IonicContact CZ-OD2 3.92Å; R1226-D1229 IonicContact NH1-OD2 3.6Å; R1226-D1229 PolarHBondContact NH1-OD2 3.37Å; R1226-D1229 VanDerWaalsContact O-CB 3.3Å; R1226-D1229 WeakPolarHBondContact O-CB 3.48Å; R1226-D1229 PolarHBondContact O-N 2.81Å; R1226-A1238 HydrophobicContact CB-CB 4.07Å |
| 1227 | L | 93.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -66.8 | -12.9 | 166.7 | -63.8 | 169.2 | 0 | 0 | 0 | 112.6 | Y1224 A1225 R1235 A1238 L1239 L1242 E1259 M1260 | Y1224-L1227 HydrophobicContact CD1-CD1 4.05Å; Y1224-L1227 VanDerWaalsContact O-CB 3.3Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.3Å; Y1224-L1227 WeakPolarHBondContact O-CG 3.45Å; Y1224-L1227 PolarHBondContact O-N 3.25Å; A1225-L1227 PolarHBondContact O-N 2.85Å; L1227-R1235 WeakPolarHBondContact O-CD 3.46Å; L1227-A1238 HydrophobicContact CD2-CB 3.94Å; L1227-A1238 HydrophobicContact CG-CB 4.44Å; L1227-L1239 HydrophobicContact CD2-CB 3.92Å; L1227-L1239 HydrophobicContact CD2-CD1 4.36Å; L1227-L1242 HydrophobicContact CD1-CD1 3.81Å; L1227-L1242 HydrophobicContact CD2-CD1 4.24Å; L1227-L1242 HydrophobicContact CG-CD1 4Å; L1227-E1259 HydrophobicContact CD1-CB 3.95Å; L1227-M1260 HydrophobicContact CD1-CB 4.4Å; L1227-M1260 HydrophobicContact CD1-CG 3.59Å |
| 1228 | R | 90.3 | Very high | 93.2 | Very high | 153 Ų | 153 | 42.9 Ų | 42.9 | 58% | 0.577 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -106.9 | 16.3 | 174.8 | -60.5 | -177.6 | -68.5 | -141.9 | -7.7 | 112.8 | A1225 R1226 E1259 | A1225-R1228 PolarHBondContact O-N 2.85Å; A1225-R1228 VanDerWaalsContact O-N 3.16Å; R1226-R1228 PolarHBondContact O-N 2.99Å; R1228-E1259 IonicContact CZ-OE1 3.79Å; R1228-E1259 IonicContact CZ-OE2 3.28Å; R1228-E1259 IonicContact NE-OE2 2.96Å; R1228-E1259 VanDerWaalsContact NH1-CD 3.31Å; R1228-E1259 IonicContact NH1-OE1 2.77Å; R1228-E1259 PolarHBondContact NH1-OE1 2.8Å; R1228-E1259 IonicContact NH1-OE2 3.49Å; R1228-E1259 PolarHBondContact NH1-OE2 3.02Å; R1228-E1259 VanDerWaalsContact NH1-OE2 3.12Å; R1228-E1259 IonicContact NH2-OE1 3.04Å |
| 1229 | D | 94.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | trans | -64.6 | 149.1 | 177.3 | -161.3 | -81.3 | 0 | 0 | 0 | 111 | R1198 R1226 S1231 V1234 R1235 | R1198-D1229 IonicContact CZ-OD1 3.92Å; R1198-D1229 IonicContact CZ-OD2 3.34Å; R1198-D1229 IonicContact NE-OD1 2.72Å; R1198-D1229 PolarHBondContact NE-OD1 3.44Å; R1198-D1229 IonicContact NE-OD2 2.81Å; R1198-D1229 PolarHBondContact NE-OD2 3.44Å; R1198-D1229 VanDerWaalsContact NE-OD2 3.17Å; R1198-D1229 IonicContact NH2-OD1 3.9Å; R1198-D1229 PolarHBondContact NH2-OD1 3.28Å; R1198-D1229 IonicContact NH2-OD2 3.4Å; R1226-D1229 IonicContact CZ-OD2 3.92Å; R1226-D1229 IonicContact NH1-OD2 3.6Å; R1226-D1229 PolarHBondContact NH1-OD2 3.37Å; R1226-D1229 VanDerWaalsContact O-CB 3.3Å; R1226-D1229 WeakPolarHBondContact O-CB 3.48Å; R1226-D1229 PolarHBondContact O-N 2.81Å; D1229-S1231 VanDerWaalsContact C-N 3.29Å; D1229-S1231 PolarHBondContact O-N 2.86Å; D1229-S1231 PolarHBondContact OD1-N 2.96Å; D1229-V1234 HydrophobicContact CB-CB 3.94Å; D1229-V1234 HydrophobicContact CB-CG1 3.7Å; D1229-R1235 HydrophobicContact CB-CG 4.28Å; D1229-R1235 WeakPolarHBondContact O-CD 3.43Å; D1229-R1235 WeakPolarHBondContact O-CG 3.46Å; D1229-R1235 PolarHBondContact O-NH1 3.28Å | ||
| 1230 | T | 93 | Very high | 93.6 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 78% | 0.779 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -66.3 | -32.6 | 179.9 | 53.1 | 0 | 0 | 0 | 0 | 112 | R1198 R1235 | R1198-T1230 PolarHBondContact NH2-OG1 3.3Å; T1230-R1235 PolarHBondContact O-NH1 3.37Å |
| 1231 | S | 94.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83 | 129.1 | 179.8 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | E1195 D1229 K1233 V1234 R1235 | E1195-S1231 WeakPolarHBondContact OE2-CB 2.91Å; E1195-S1231 PolarHBondContact OE2-OG 3.41Å; D1229-S1231 VanDerWaalsContact C-N 3.29Å; D1229-S1231 PolarHBondContact O-N 2.86Å; D1229-S1231 PolarHBondContact OD1-N 2.96Å; S1231-K1233 VanDerWaalsContact C-N 3.31Å; S1231-K1233 PolarHBondContact O-N 3.45Å; S1231-K1233 PolarHBondContact OG-N 2.81Å; S1231-V1234 PolarHBondContact O-N 3.37Å; S1231-R1235 PolarHBondContact O-N 3.21Å |
| 1232 | A | 92.5 | Very high | 94 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -51.1 | -49.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1234 R1235 T1236 I1268 | A1232-V1234 VanDerWaalsContact C-N 3.29Å; A1232-V1234 PolarHBondContact O-N 3.4Å; A1232-R1235 PolarHBondContact O-N 2.79Å; A1232-R1235 VanDerWaalsContact O-N 3.14Å; A1232-T1236 PolarHBondContact O-N 2.92Å; A1232-T1236 PolarHBondContact O-OG1 2.98Å; A1232-T1236 VanDerWaalsContact O-OG1 3.07Å; A1232-I1268 HydrophobicContact CB-CD1 3.09Å |
| 1233 | K | 93.6 | Very high | 94.1 | Very high | 98 Ų | 98 | 32.4 Ų | 32.4 | 43% | 0.426 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | -176.8 | -171.6 | 174 | -175.7 | 168.8 | 0 | 112 | A1199 S1231 T1236 N1237 | A1199-K1233 HydrophobicContact CB-CD 4.49Å; A1199-K1233 HydrophobicContact CB-CG 4.06Å; S1231-K1233 VanDerWaalsContact C-N 3.31Å; S1231-K1233 PolarHBondContact O-N 3.45Å; S1231-K1233 PolarHBondContact OG-N 2.81Å; K1233-T1236 PolarHBondContact O-N 3.28Å; K1233-N1237 PolarHBondContact O-N 3.11Å |
| 1234 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 177 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | E1195 R1198 A1199 I1202 D1229 S1231 A1232 T1236 N1237 A1238 | E1195-V1234 HydrophobicContact CB-CG2 4.44Å; R1198-V1234 HydrophobicContact CB-CG1 4.26Å; R1198-V1234 HydrophobicContact CB-CG2 3.66Å; A1199-V1234 HydrophobicContact CB-CG2 4.07Å; I1202-V1234 HydrophobicContact CG1-CG1 3.95Å; D1229-V1234 HydrophobicContact CB-CB 3.94Å; D1229-V1234 HydrophobicContact CB-CG1 3.7Å; S1231-V1234 PolarHBondContact O-N 3.37Å; A1232-V1234 VanDerWaalsContact C-N 3.29Å; A1232-V1234 PolarHBondContact O-N 3.4Å; V1234-T1236 VanDerWaalsContact C-N 3.33Å; V1234-T1236 PolarHBondContact O-N 3.41Å; V1234-N1237 PolarHBondContact O-N 3.23Å; V1234-A1238 WeakPolarHBondContact O-CB 3.31Å; V1234-A1238 PolarHBondContact O-N 3.41Å |
| 1235 | R | 96 | Very high | 94 | Very high | 30 Ų | 30 | 37 Ų | 37 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.6 | -65.2 | -159 | -60.5 | -78.3 | 3.4 | 111.5 | L1227 D1229 T1230 S1231 A1232 A1238 L1239 D1266 L1271 | L1227-R1235 WeakPolarHBondContact O-CD 3.46Å; D1229-R1235 HydrophobicContact CB-CG 4.28Å; D1229-R1235 WeakPolarHBondContact O-CD 3.43Å; D1229-R1235 WeakPolarHBondContact O-CG 3.46Å; D1229-R1235 PolarHBondContact O-NH1 3.28Å; T1230-R1235 PolarHBondContact O-NH1 3.37Å; S1231-R1235 PolarHBondContact O-N 3.21Å; A1232-R1235 PolarHBondContact O-N 2.79Å; A1232-R1235 VanDerWaalsContact O-N 3.14Å; R1235-A1238 PolarHBondContact O-N 2.75Å; R1235-L1239 WeakPolarHBondContact O-CB 3.36Å; R1235-L1239 PolarHBondContact O-N 3.13Å; R1235-D1266 IonicContact CZ-OD1 3.81Å; R1235-D1266 IonicContact CZ-OD2 3.37Å; R1235-D1266 IonicContact NE-OD1 3.02Å; R1235-D1266 IonicContact NE-OD2 3.83Å; R1235-D1266 PolarHBondContact NE-OD2 3.04Å; R1235-D1266 IonicContact NH2-OD1 2.85Å; R1235-D1266 PolarHBondContact NH2-OD1 2.96Å; R1235-D1266 IonicContact NH2-OD2 3.85Å; R1235-L1271 HydrophobicContact CB-CD1 3.77Å; R1235-L1271 HydrophobicContact CB-CD2 4.19Å |
| 1236 | T | 95.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | A1232 K1233 V1234 A1238 L1239 N1240 L1271 L1274 | A1232-T1236 PolarHBondContact O-N 2.92Å; A1232-T1236 PolarHBondContact O-OG1 2.98Å; A1232-T1236 VanDerWaalsContact O-OG1 3.07Å; K1233-T1236 PolarHBondContact O-N 3.28Å; V1234-T1236 VanDerWaalsContact C-N 3.33Å; V1234-T1236 PolarHBondContact O-N 3.41Å; T1236-A1238 VanDerWaalsContact C-N 3.32Å; T1236-A1238 PolarHBondContact O-N 3.06Å; T1236-L1239 PolarHBondContact O-N 3.41Å; T1236-N1240 WeakPolarHBondContact O-CB 3.38Å; T1236-N1240 PolarHBondContact O-N 2.92Å; T1236-L1271 VanDerWaalsContact CA-CD2 3.49Å; T1236-L1271 WeakPolarHBondContact OG1-CD2 3.48Å; T1236-L1274 HydrophobicContact CG2-CD1 3.8Å |
| 1237 | N | 94.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.2 | -77.7 | 10.3 | 0 | 0 | 0 | 112.2 | A1199 I1202 V1203 K1233 V1234 T1241 | A1199-N1237 PolarHBondContact O-ND2 3.45Å; I1202-N1237 HydrophobicContact CB-CB 4.48Å; I1202-N1237 HydrophobicContact CG2-CB 4.48Å; V1203-N1237 HydrophobicContact CG2-CB 4.18Å; K1233-N1237 PolarHBondContact O-N 3.11Å; V1234-N1237 PolarHBondContact O-N 3.23Å; N1237-T1241 WeakPolarHBondContact O-CB 3.17Å; N1237-T1241 PolarHBondContact O-N 3.47Å; N1237-T1241 PolarHBondContact O-OG1 3.09Å |
| 1238 | A | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1202 R1226 L1227 V1234 R1235 T1236 T1241 L1242 | I1202-A1238 VanDerWaalsContact CG2-CA 3.44Å; I1202-A1238 HydrophobicContact CG2-CB 3.88Å; R1226-A1238 HydrophobicContact CB-CB 4.07Å; L1227-A1238 HydrophobicContact CD2-CB 3.94Å; L1227-A1238 HydrophobicContact CG-CB 4.44Å; V1234-A1238 WeakPolarHBondContact O-CB 3.31Å; V1234-A1238 PolarHBondContact O-N 3.41Å; R1235-A1238 PolarHBondContact O-N 2.75Å; T1236-A1238 VanDerWaalsContact C-N 3.32Å; T1236-A1238 PolarHBondContact O-N 3.06Å; A1238-T1241 PolarHBondContact O-N 3.42Å; A1238-L1242 VanDerWaalsContact O-CB 3.29Å; A1238-L1242 WeakPolarHBondContact O-CB 3.46Å; A1238-L1242 WeakPolarHBondContact O-CG 3.44Å; A1238-L1242 PolarHBondContact O-N 2.76Å |
| 1239 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.2 | -177.6 | 61.6 | 0 | 0 | 0 | 111 | L1227 R1235 T1236 S1243 M1260 C1263 L1271 L1274 A1275 | L1227-L1239 HydrophobicContact CD2-CB 3.92Å; L1227-L1239 HydrophobicContact CD2-CD1 4.36Å; R1235-L1239 WeakPolarHBondContact O-CB 3.36Å; R1235-L1239 PolarHBondContact O-N 3.13Å; T1236-L1239 PolarHBondContact O-N 3.41Å; L1239-S1243 WeakPolarHBondContact O-CB 3.41Å; L1239-S1243 PolarHBondContact O-N 3.47Å; L1239-S1243 PolarHBondContact O-OG 3.28Å; L1239-M1260 HydrophobicContact CD1-CB 4.42Å; L1239-M1260 HydrophobicContact CD1-CE 3.68Å; L1239-M1260 HydrophobicContact CD1-CG 4.45Å; L1239-C1263 HydrophobicContact CD1-CB 4.48Å; L1239-C1263 HydrophobicContact CD2-CB 4.13Å; L1239-L1271 HydrophobicContact CB-CD2 4.36Å; L1239-L1271 HydrophobicContact CD2-CD2 3.87Å; L1239-L1271 WeakPolarHBondContact CD2-O 3.32Å; L1239-L1274 HydrophobicContact CD2-CB 3.78Å; L1239-A1275 HydrophobicContact CD2-CB 4Å |
| 1240 | N | 94.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 177.3 | -80.2 | -19.6 | 0 | 0 | 0 | 112.3 | T1236 S1243 H1244 | T1236-N1240 WeakPolarHBondContact O-CB 3.38Å; T1236-N1240 PolarHBondContact O-N 2.92Å; N1240-S1243 WeakPolarHBondContact O-CB 3.4Å; N1240-S1243 PolarHBondContact O-N 3.34Å; N1240-H1244 PolarHBondContact O-CD2 2.88Å; N1240-H1244 PolarHBondContact O-N 3.38Å |
| 1241 | T | 95.1 | Very high | 92 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | G1206 N1237 A1238 S1243 H1244 L1245 | G1206-T1241 VanDerWaalsContact CA-CG2 3.42Å; N1237-T1241 WeakPolarHBondContact O-CB 3.17Å; N1237-T1241 PolarHBondContact O-N 3.47Å; N1237-T1241 PolarHBondContact O-OG1 3.09Å; A1238-T1241 PolarHBondContact O-N 3.42Å; T1241-S1243 VanDerWaalsContact C-N 3.33Å; T1241-S1243 PolarHBondContact O-N 2.92Å; T1241-H1244 PolarHBondContact O-N 3.17Å; T1241-L1245 HydrophobicContact CG2-CD1 4.07Å; T1241-L1245 VanDerWaalsContact O-CG 3.29Å; T1241-L1245 WeakPolarHBondContact O-CG 3.49Å; T1241-L1245 PolarHBondContact O-N 3.39Å |
| 1242 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.5 | -74.8 | 167.6 | 0 | 0 | 0 | 111.8 | L1223 Y1224 L1227 A1238 H1244 L1245 I1246 M1260 | L1223-L1242 HydrophobicContact CD2-CD2 3.66Å; L1223-L1242 HydrophobicContact CD2-CG 4.35Å; L1223-L1242 HydrophobicContact CG-CD2 3.94Å; L1223-L1242 HydrophobicContact CG-CG 4.32Å; Y1224-L1242 HydrophobicContact CD1-CD1 3.71Å; Y1224-L1242 HydrophobicContact CD1-CD2 4.34Å; Y1224-L1242 HydrophobicContact CD2-CD2 4.48Å; Y1224-L1242 HydrophobicContact CE1-CD1 3.97Å; Y1224-L1242 HydrophobicContact CE1-CD2 4.06Å; Y1224-L1242 HydrophobicContact CE2-CD2 4.23Å; Y1224-L1242 HydrophobicContact CG-CD1 4.25Å; L1227-L1242 HydrophobicContact CD1-CD1 3.81Å; L1227-L1242 HydrophobicContact CD2-CD1 4.24Å; L1227-L1242 HydrophobicContact CG-CD1 4Å; A1238-L1242 VanDerWaalsContact O-CB 3.29Å; A1238-L1242 WeakPolarHBondContact O-CB 3.46Å; A1238-L1242 WeakPolarHBondContact O-CG 3.44Å; A1238-L1242 PolarHBondContact O-N 2.76Å; L1242-H1244 PolarHBondContact O-N 3.27Å; L1242-L1245 PolarHBondContact O-N 3.36Å; L1242-I1246 HydrophobicContact CB-CD1 4.48Å; L1242-I1246 WeakPolarHBondContact O-CB 3.43Å; L1242-I1246 WeakPolarHBondContact O-CD1 3.46Å; L1242-I1246 VanDerWaalsContact O-CG1 3.24Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.44Å; L1242-I1246 PolarHBondContact O-N 3.39Å; L1242-M1260 HydrophobicContact CB-CE 4.06Å; L1242-M1260 HydrophobicContact CB-SD 4.24Å |
| 1243 | S | 92.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.6 | -50 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | L1239 N1240 T1241 L1245 I1246 L1247 F1278 | L1239-S1243 WeakPolarHBondContact O-CB 3.41Å; L1239-S1243 PolarHBondContact O-N 3.47Å; L1239-S1243 PolarHBondContact O-OG 3.28Å; N1240-S1243 WeakPolarHBondContact O-CB 3.4Å; N1240-S1243 PolarHBondContact O-N 3.34Å; T1241-S1243 VanDerWaalsContact C-N 3.33Å; T1241-S1243 PolarHBondContact O-N 2.92Å; S1243-L1245 PolarHBondContact O-N 3.15Å; S1243-I1246 PolarHBondContact O-N 2.9Å; S1243-L1247 VanDerWaalsContact O-CB 3.26Å; S1243-L1247 WeakPolarHBondContact O-CB 3.31Å; S1243-L1247 WeakPolarHBondContact O-CG 3.48Å; S1243-L1247 PolarHBondContact O-N 3.06Å; S1243-F1278 WeakPolarHBondContact OG-CD2 3.27Å |
| 1244 | H | 90.6 | Very high | 89 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 47% | 0.468 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 177.3 | -71.3 | -59.8 | 0 | 0 | 0 | 113.8 | N1240 T1241 L1242 N1248 | N1240-H1244 PolarHBondContact O-CD2 2.88Å; N1240-H1244 PolarHBondContact O-N 3.38Å; T1241-H1244 PolarHBondContact O-N 3.17Å; L1242-H1244 PolarHBondContact O-N 3.27Å; H1244-N1248 WeakPolarHBondContact O-CB 3.39Å; H1244-N1248 PolarHBondContact O-N 3Å; H1244-N1248 PolarHBondContact O-ND2 2.63Å |
| 1245 | L | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.7 | -41.9 | 177.7 | -71 | 172.8 | 0 | 0 | 0 | 112.3 | C1209 R1210 L1223 T1241 L1242 S1243 D1249 M1250 V1251 | C1209-L1245 HydrophobicContact CB-CD1 4Å; C1209-L1245 HydrophobicContact CB-CD2 4.04Å; R1210-L1245 HydrophobicContact CG-CD2 3.65Å; L1223-L1245 HydrophobicContact CD2-CD1 4.03Å; T1241-L1245 HydrophobicContact CG2-CD1 4.07Å; T1241-L1245 VanDerWaalsContact O-CG 3.29Å; T1241-L1245 WeakPolarHBondContact O-CG 3.49Å; T1241-L1245 PolarHBondContact O-N 3.39Å; L1242-L1245 PolarHBondContact O-N 3.36Å; S1243-L1245 PolarHBondContact O-N 3.15Å; L1245-D1249 PolarHBondContact O-N 3.46Å; L1245-M1250 HydrophobicContact CD2-CB 4.03Å; L1245-M1250 PolarHBondContact O-N 3.44Å; L1245-V1251 HydrophobicContact CB-CB 4.27Å; L1245-V1251 HydrophobicContact CB-CG2 3.86Å; L1245-V1251 HydrophobicContact CD1-CG2 4.07Å; L1245-V1251 HydrophobicContact CG-CG2 4.46Å; L1245-V1251 PolarHBondContact O-N 2.83Å |
| 1246 | I | 90.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.9 | -48 | 179.5 | -69.6 | 165.1 | 0 | 0 | 0 | 110.3 | Y1224 L1242 S1243 N1248 D1249 V1251 V1253 M1260 F1278 L1282 | Y1224-I1246 HydrophobicContact CE1-CD1 4.49Å; Y1224-I1246 WeakPolarHBondContact OH-CD1 3.49Å; L1242-I1246 HydrophobicContact CB-CD1 4.48Å; L1242-I1246 WeakPolarHBondContact O-CB 3.43Å; L1242-I1246 WeakPolarHBondContact O-CD1 3.46Å; L1242-I1246 VanDerWaalsContact O-CG1 3.24Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.44Å; L1242-I1246 PolarHBondContact O-N 3.39Å; S1243-I1246 PolarHBondContact O-N 2.9Å; I1246-N1248 PolarHBondContact O-N 3.44Å; I1246-D1249 PolarHBondContact O-N 3.47Å; I1246-V1251 HydrophobicContact CG1-CB 4.45Å; I1246-V1253 HydrophobicContact CG2-CG2 3.59Å; I1246-M1260 HydrophobicContact CD1-CE 4.12Å; I1246-M1260 HydrophobicContact CD1-SD 3.37Å; I1246-M1260 WeakPolarHBondContact CD1-SD 3.3Å; I1246-F1278 HydrophobicContact CB-CE2 4.15Å; I1246-F1278 HydrophobicContact CB-CZ 4.34Å; I1246-F1278 HydrophobicContact CD1-CE2 4.39Å; I1246-F1278 HydrophobicContact CD1-CZ 3.96Å; I1246-F1278 HydrophobicContact CG2-CE2 4Å; I1246-F1278 HydrophobicContact CG2-CZ 3.95Å; I1246-L1282 HydrophobicContact CG2-CD1 4.34Å |
| 1247 | L | 88.1 | Confident | 86.5 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -33 | -179.6 | -69.1 | 172.2 | 0 | 0 | 0 | 110.7 | S1243 D1249 F1278 E1281 L1282 K1285 | S1243-L1247 VanDerWaalsContact O-CB 3.26Å; S1243-L1247 WeakPolarHBondContact O-CB 3.31Å; S1243-L1247 WeakPolarHBondContact O-CG 3.48Å; S1243-L1247 PolarHBondContact O-N 3.06Å; L1247-D1249 VanDerWaalsContact C-N 3.32Å; L1247-D1249 PolarHBondContact O-N 2.96Å; L1247-F1278 HydrophobicContact CD1-CD2 4.22Å; L1247-F1278 HydrophobicContact CD2-CD2 4.49Å; L1247-F1278 HydrophobicContact CD2-CE2 4.34Å; L1247-F1278 HydrophobicContact CG-CD2 4.19Å; L1247-F1278 HydrophobicContact CG-CE2 4.1Å; L1247-E1281 HydrophobicContact CD1-CB 4.23Å; L1247-E1281 VanDerWaalsContact CD1-OE2 3.24Å; L1247-E1281 WeakPolarHBondContact CD1-OE2 3.41Å; L1247-E1281 HydrophobicContact CD2-CB 4.26Å; L1247-L1282 HydrophobicContact CD2-CB 4.41Å; L1247-L1282 HydrophobicContact CD2-CD1 4.32Å; L1247-K1285 HydrophobicContact CD2-CD 4.12Å; L1247-K1285 PolarHBondContact O-NZ 3.23Å |
| 1248 | N | 86 | Confident | 86.1 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 20.2 | 177.1 | -62.5 | -53.6 | 0 | 0 | 0 | 114 | H1244 I1246 M1250 | H1244-N1248 WeakPolarHBondContact O-CB 3.39Å; H1244-N1248 PolarHBondContact O-N 3Å; H1244-N1248 PolarHBondContact O-ND2 2.63Å; I1246-N1248 PolarHBondContact O-N 3.44Å; N1248-M1250 PolarHBondContact O-N 3.44Å |
| 1249 | D | 85.1 | Confident | 85.7 | Confident | 136 Ų | 136 | 44 Ų | 44 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 19 | 176.1 | -64.3 | -48.7 | 0 | 0 | 0 | 115.7 | L1245 I1246 L1247 | L1245-D1249 PolarHBondContact O-N 3.46Å; I1246-D1249 PolarHBondContact O-N 3.47Å; L1247-D1249 VanDerWaalsContact C-N 3.32Å; L1247-D1249 PolarHBondContact O-N 2.96Å |
| 1250 | M | 82.7 | Confident | 85.6 | Confident | 68 Ų | 68 | 44 Ų | 44 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -78.4 | -29.6 | 177.3 | -63.2 | -54.2 | -65.5 | 0 | 0 | 112.1 | R1210 L1245 N1248 | R1210-M1250 HydrophobicContact CB-CE 4.27Å; R1210-M1250 HydrophobicContact CG-CG 4.26Å; R1210-M1250 VanDerWaalsContact O-CE 3.32Å; R1210-M1250 WeakPolarHBondContact O-CE 3.21Å; L1245-M1250 HydrophobicContact CD2-CB 4.03Å; L1245-M1250 PolarHBondContact O-N 3.44Å; N1248-M1250 PolarHBondContact O-N 3.44Å |
| 1251 | V | 83.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -119.6 | 115.8 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 108.1 | C1209 T1220 Y1224 L1245 I1246 V1253 | C1209-V1251 WeakPolarHBondContact SG-CG2 3.44Å; T1220-V1251 HydrophobicContact CG2-CG1 3.96Å; Y1224-V1251 HydrophobicContact CE2-CG1 4.5Å; L1245-V1251 HydrophobicContact CB-CB 4.27Å; L1245-V1251 HydrophobicContact CB-CG2 3.86Å; L1245-V1251 HydrophobicContact CD1-CG2 4.07Å; L1245-V1251 HydrophobicContact CG-CG2 4.46Å; L1245-V1251 PolarHBondContact O-N 2.83Å; I1246-V1251 HydrophobicContact CG1-CB 4.45Å; V1251-V1253 PolarHBondContact O-N 3.32Å |
| 1252 | K | 79.2 | Confident | 85.3 | Confident | 167 Ų | 167 | 43.5 Ų | 43.5 | 73% | 0.726 | 22% | 0.221 | S | C | * | . | trans | -62.5 | 132.6 | 175.4 | -75.6 | -176.1 | 179.3 | 174.7 | 0 | 110 | K1254 | K1252-K1254 PolarHBondContact O-N 3.47Š| ||
| 1253 | V | 68.4 | Low | 85.2 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | trans | -66.7 | 101.7 | 176.5 | -163.5 | 0 | 0 | 0 | 0 | 109.4 | I1246 V1251 I1257 V1292 | I1246-V1253 HydrophobicContact CG2-CG2 3.59Å; V1251-V1253 PolarHBondContact O-N 3.32Å; V1253-I1257 HydrophobicContact CG1-CB 3.77Å; V1253-I1257 HydrophobicContact CG1-CD1 3.38Å; V1253-I1257 HydrophobicContact CG1-CG1 4.14Å; V1253-I1257 HydrophobicContact CG1-CG2 3.86Å; V1253-V1292 HydrophobicContact CB-CG1 4.15Å; V1253-V1292 HydrophobicContact CG1-CB 4.47Å; V1253-V1292 HydrophobicContact CG1-CG1 3.41Å; V1253-V1292 VanDerWaalsContact CG1-CG1 3.41Å | ||
| 1254 | K | 70.4 | Confident | 85.2 | Confident | 100 Ų | 100 | 43.3 Ų | 43.3 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | trans | -101.3 | -178.5 | 173.5 | -68.7 | 178.9 | -175.1 | 172.4 | 0 | 108.7 | E1217 K1252 Q1256 I1257 | E1217-K1254 IonicContact OE1-NZ 2.59Å; E1217-K1254 PolarHBondContact OE1-NZ 2.75Å; K1252-K1254 PolarHBondContact O-N 3.47Å; K1254-Q1256 PolarHBondContact O-N 3.1Å; K1254-I1257 PolarHBondContact O-N 2.89Å | ||
| 1255 | G | 70.3 | Confident | 85.2 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -27 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1257 S1258 R1299 | G1255-I1257 PolarHBondContact O-N 3.47Å; G1255-S1258 PolarHBondContact O-N 3.21Å; G1255-S1258 PolarHBondContact O-OG 3.34Å; G1255-R1299 VanDerWaalsContact C-CZ 3.43Å; G1255-R1299 PolarHBondContact O-NH1 3.49Å; G1255-R1299 PolarHBondContact O-NH2 3.42Å |
| 1256 | Q | 81.6 | Confident | 85.2 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.2 | -178.3 | -68.2 | 159.5 | -16.7 | 0 | 0 | 115.4 | P1221 Y1224 K1254 S1258 E1259 | P1221-Q1256 VanDerWaalsContact CB-NE2 3.3Å; P1221-Q1256 VanDerWaalsContact CG-NE2 3.27Å; Y1224-Q1256 HydrophobicContact CD1-CB 4.01Å; Y1224-Q1256 HydrophobicContact CD2-CB 3.56Å; Y1224-Q1256 HydrophobicContact CD2-CG 4.12Å; Y1224-Q1256 HydrophobicContact CE1-CB 4.14Å; Y1224-Q1256 HydrophobicContact CE2-CB 3.68Å; Y1224-Q1256 HydrophobicContact CE2-CG 4.49Å; Y1224-Q1256 VanDerWaalsContact CE2-OE1 3.26Å; Y1224-Q1256 HydrophobicContact CG-CB 3.73Å; Y1224-Q1256 HydrophobicContact CG-CG 4.47Å; K1254-Q1256 PolarHBondContact O-N 3.1Å; Q1256-S1258 PolarHBondContact O-N 3.19Å; Q1256-S1258 VanDerWaalsContact O-N 3.07Å; Q1256-E1259 WeakPolarHBondContact O-CB 3.46Å; Q1256-E1259 WeakPolarHBondContact O-CG 3.38Å; Q1256-E1259 PolarHBondContact O-N 3.03Å |
| 1257 | I | 84.8 | Confident | 85 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -22.2 | 177.5 | -166.3 | 163.4 | 0 | 0 | 0 | 113.7 | V1253 K1254 G1255 E1259 M1260 T1261 F1278 F1279 L1282 V1292 I1296 | V1253-I1257 HydrophobicContact CG1-CB 3.77Å; V1253-I1257 HydrophobicContact CG1-CD1 3.38Å; V1253-I1257 HydrophobicContact CG1-CG1 4.14Å; V1253-I1257 HydrophobicContact CG1-CG2 3.86Å; K1254-I1257 PolarHBondContact O-N 2.89Å; G1255-I1257 PolarHBondContact O-N 3.47Å; I1257-E1259 PolarHBondContact O-N 3.31Å; I1257-M1260 HydrophobicContact CG1-SD 4.26Å; I1257-M1260 WeakPolarHBondContact O-CB 3.29Å; I1257-M1260 PolarHBondContact O-N 3.4Å; I1257-T1261 PolarHBondContact O-N 3.24Å; I1257-F1278 HydrophobicContact CD1-CE1 4.08Å; I1257-F1278 HydrophobicContact CD1-CZ 4.06Å; I1257-F1278 HydrophobicContact CG1-CE1 4.43Å; I1257-F1279 HydrophobicContact CD1-CE1 4.18Å; I1257-F1279 HydrophobicContact CG1-CE1 4.21Å; I1257-F1279 HydrophobicContact CG1-CZ 4.33Å; I1257-L1282 HydrophobicContact CD1-CD2 3.7Å; I1257-V1292 HydrophobicContact CD1-CG2 4.47Å; I1257-V1292 HydrophobicContact CG2-CB 3.94Å; I1257-V1292 HydrophobicContact CG2-CG1 4.25Å; I1257-V1292 HydrophobicContact CG2-CG2 4.4Å; I1257-I1296 HydrophobicContact CG2-CD1 4.39Å; I1257-I1296 HydrophobicContact CG2-CG1 4.19Å |
| 1258 | S | 86.4 | Confident | 85.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -25.2 | 172.1 | 57 | 0 | 0 | 0 | 0 | 113.4 | G1255 Q1256 M1260 T1261 V1262 R1299 | G1255-S1258 PolarHBondContact O-N 3.21Å; G1255-S1258 PolarHBondContact O-OG 3.34Å; Q1256-S1258 PolarHBondContact O-N 3.19Å; Q1256-S1258 VanDerWaalsContact O-N 3.07Å; S1258-M1260 PolarHBondContact O-N 3.36Å; S1258-T1261 WeakPolarHBondContact CA-OG1 3.43Å; S1258-T1261 PolarHBondContact O-N 3.29Å; S1258-T1261 PolarHBondContact O-OG1 2.85Å; S1258-V1262 PolarHBondContact O-N 3.27Å; S1258-R1299 VanDerWaalsContact CB-NH1 3.28Å; S1258-R1299 WeakPolarHBondContact OG-CD 3.19Å; S1258-R1299 PolarHBondContact OG-NE 3.03Å; S1258-R1299 PolarHBondContact OG-NH1 3.48Å |
| 1259 | E | 88 | Confident | 85.2 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 173.2 | -61.5 | -76.8 | 174.7 | 0 | 0 | 110.3 | L1227 R1228 Q1256 I1257 T1261 V1262 | L1227-E1259 HydrophobicContact CD1-CB 3.95Å; R1228-E1259 IonicContact CZ-OE1 3.79Å; R1228-E1259 IonicContact CZ-OE2 3.28Å; R1228-E1259 IonicContact NE-OE2 2.96Å; R1228-E1259 VanDerWaalsContact NH1-CD 3.31Å; R1228-E1259 IonicContact NH1-OE1 2.77Å; R1228-E1259 PolarHBondContact NH1-OE1 2.8Å; R1228-E1259 IonicContact NH1-OE2 3.49Å; R1228-E1259 PolarHBondContact NH1-OE2 3.02Å; R1228-E1259 VanDerWaalsContact NH1-OE2 3.12Å; R1228-E1259 IonicContact NH2-OE1 3.04Å; Q1256-E1259 WeakPolarHBondContact O-CB 3.46Å; Q1256-E1259 WeakPolarHBondContact O-CG 3.38Å; Q1256-E1259 PolarHBondContact O-N 3.03Å; I1257-E1259 PolarHBondContact O-N 3.31Å; E1259-T1261 VanDerWaalsContact C-N 3.33Å; E1259-T1261 PolarHBondContact O-N 2.76Å; E1259-V1262 PolarHBondContact O-N 3.26Å |
| 1260 | M | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.8 | -30 | 174.7 | -61.2 | 177.2 | 77.4 | 0 | 0 | 112.3 | Y1224 L1227 L1239 L1242 I1246 I1257 S1258 V1262 C1263 F1278 F1279 | Y1224-M1260 HydrophobicContact CD1-CG 4.47Å; Y1224-M1260 HydrophobicContact CE1-CG 4.16Å; Y1224-M1260 HydrophobicContact CE1-SD 4.04Å; L1227-M1260 HydrophobicContact CD1-CB 4.4Å; L1227-M1260 HydrophobicContact CD1-CG 3.59Å; L1239-M1260 HydrophobicContact CD1-CB 4.42Å; L1239-M1260 HydrophobicContact CD1-CE 3.68Å; L1239-M1260 HydrophobicContact CD1-CG 4.45Å; L1242-M1260 HydrophobicContact CB-CE 4.06Å; L1242-M1260 HydrophobicContact CB-SD 4.24Å; I1246-M1260 HydrophobicContact CD1-CE 4.12Å; I1246-M1260 HydrophobicContact CD1-SD 3.37Å; I1246-M1260 WeakPolarHBondContact CD1-SD 3.3Å; I1257-M1260 HydrophobicContact CG1-SD 4.26Å; I1257-M1260 WeakPolarHBondContact O-CB 3.29Å; I1257-M1260 PolarHBondContact O-N 3.4Å; S1258-M1260 PolarHBondContact O-N 3.36Å; M1260-V1262 VanDerWaalsContact C-N 3.25Å; M1260-V1262 PolarHBondContact O-N 3.4Å; M1260-C1263 WeakPolarHBondContact O-CB 3.38Å; M1260-C1263 PolarHBondContact O-N 3.36Å; M1260-C1263 VanDerWaalsContact O-N 3.17Å; M1260-F1278 HydrophobicContact CE-CD1 3.63Å; M1260-F1278 HydrophobicContact CE-CD2 4.12Å; M1260-F1278 HydrophobicContact CE-CE1 3.44Å; M1260-F1278 VanDerWaalsContact CE-CE1 3.44Å; M1260-F1278 HydrophobicContact CE-CE2 3.95Å; M1260-F1278 HydrophobicContact CE-CG 3.95Å; M1260-F1278 HydrophobicContact CE-CZ 3.61Å; M1260-F1278 HydrophobicContact SD-CE1 3.82Å; M1260-F1278 HydrophobicContact SD-CZ 3.93Å; M1260-F1279 HydrophobicContact CB-CE2 4.35Å; M1260-F1279 HydrophobicContact CB-CZ 4.09Å |
| 1261 | T | 91.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -26.4 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | I1257 S1258 E1259 C1263 L1264 F1279 I1296 I1315 L1319 | I1257-T1261 PolarHBondContact O-N 3.24Å; S1258-T1261 WeakPolarHBondContact CA-OG1 3.43Å; S1258-T1261 PolarHBondContact O-N 3.29Å; S1258-T1261 PolarHBondContact O-OG1 2.85Å; E1259-T1261 VanDerWaalsContact C-N 3.33Å; E1259-T1261 PolarHBondContact O-N 2.76Å; T1261-C1263 PolarHBondContact O-N 3.38Å; T1261-L1264 VanDerWaalsContact O-CB 3.29Å; T1261-L1264 WeakPolarHBondContact O-CB 3.27Å; T1261-L1264 PolarHBondContact O-N 3.28Å; T1261-L1264 VanDerWaalsContact O-N 3.13Å; T1261-F1279 HydrophobicContact CG2-CE1 3.86Å; T1261-F1279 HydrophobicContact CG2-CE2 3.81Å; T1261-F1279 HydrophobicContact CG2-CZ 3.27Å; T1261-I1296 HydrophobicContact CG2-CD1 3.83Å; T1261-I1296 HydrophobicContact CG2-CG1 4.15Å; T1261-I1296 HydrophobicContact CG2-CG2 4.03Å; T1261-I1315 HydrophobicContact CG2-CG2 4.48Å; T1261-I1315 WeakPolarHBondContact O-CD1 3.47Å; T1261-L1319 HydrophobicContact CG2-CD1 3.71Å |
| 1262 | V | 91.3 | Very high | 86 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -28.1 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 111 | S1258 E1259 M1260 L1264 V1265 D1266 L1300 V1307 | S1258-V1262 PolarHBondContact O-N 3.27Å; E1259-V1262 PolarHBondContact O-N 3.26Å; M1260-V1262 VanDerWaalsContact C-N 3.25Å; M1260-V1262 PolarHBondContact O-N 3.4Å; V1262-L1264 PolarHBondContact O-N 2.84Å; V1262-V1265 WeakPolarHBondContact O-CG2 3.42Å; V1262-V1265 PolarHBondContact O-N 3.47Å; V1262-V1265 VanDerWaalsContact O-N 3.08Å; V1262-D1266 PolarHBondContact O-N 2.92Å; V1262-L1300 HydrophobicContact CG2-CD2 4.2Å; V1262-V1307 HydrophobicContact CG2-CG1 4.04Å |
| 1263 | C | 93.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -66.3 | -16.6 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | L1239 M1260 T1261 V1265 D1266 N1272 A1275 | L1239-C1263 HydrophobicContact CD1-CB 4.48Å; L1239-C1263 HydrophobicContact CD2-CB 4.13Å; M1260-C1263 WeakPolarHBondContact O-CB 3.38Å; M1260-C1263 PolarHBondContact O-N 3.36Å; M1260-C1263 VanDerWaalsContact O-N 3.17Å; T1261-C1263 PolarHBondContact O-N 3.38Å; C1263-V1265 PolarHBondContact O-N 3.39Å; C1263-D1266 PolarHBondContact O-N 3.14Å; C1263-N1272 WeakPolarHBondContact O-CA 3.38Å; C1263-A1275 HydrophobicContact CB-CB 3.82Å |
| 1264 | L | 93.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -68.5 | -13.4 | 172.3 | -66 | 166.8 | 0 | 0 | 0 | 113.2 | T1261 V1262 N1272 A1275 R1276 F1279 I1315 F1318 L1319 | T1261-L1264 VanDerWaalsContact O-CB 3.29Å; T1261-L1264 WeakPolarHBondContact O-CB 3.27Å; T1261-L1264 PolarHBondContact O-N 3.28Å; T1261-L1264 VanDerWaalsContact O-N 3.13Å; V1262-L1264 PolarHBondContact O-N 2.84Å; L1264-N1272 PolarHBondContact O-ND2 2.85Å; L1264-N1272 PolarHBondContact O-OD1 3.28Å; L1264-A1275 HydrophobicContact CD2-CB 3.81Å; L1264-A1275 HydrophobicContact CG-CB 4.12Å; L1264-R1276 HydrophobicContact CD2-CB 4.28Å; L1264-R1276 HydrophobicContact CD2-CG 3.55Å; L1264-F1279 HydrophobicContact CD1-CD2 4.02Å; L1264-F1279 HydrophobicContact CD1-CE2 4.17Å; L1264-F1279 HydrophobicContact CD2-CD2 4.23Å; L1264-F1279 HydrophobicContact CG-CD2 4.27Å; L1264-F1279 HydrophobicContact CG-CE2 4.4Å; L1264-I1315 HydrophobicContact CB-CG1 4.23Å; L1264-I1315 HydrophobicContact CD1-CG1 4.5Å; L1264-I1315 HydrophobicContact CD1-CG2 4.06Å; L1264-F1318 HydrophobicContact CD1-CD1 3.84Å; L1264-F1318 HydrophobicContact CD1-CE1 4.39Å; L1264-F1318 HydrophobicContact CD2-CD1 3.71Å; L1264-F1318 HydrophobicContact CD2-CE1 3.71Å; L1264-F1318 HydrophobicContact CG-CD1 4.43Å; L1264-L1319 HydrophobicContact CD1-CD1 4.42Å; L1264-L1319 HydrophobicContact CD1-CD2 4.09Å; L1264-L1319 HydrophobicContact CD1-CG 4.14Å |
| 1265 | V | 90.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -126.1 | 23.7 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | V1262 C1263 H1311 I1315 | V1262-V1265 WeakPolarHBondContact O-CG2 3.42Å; V1262-V1265 PolarHBondContact O-N 3.47Å; V1262-V1265 VanDerWaalsContact O-N 3.08Å; C1263-V1265 PolarHBondContact O-N 3.39Å; V1265-H1311 HydrophobicContact CG1-CB 4.4Å; V1265-H1311 HydrophobicContact CG2-CB 4.09Å; V1265-I1315 HydrophobicContact CG1-CD1 4.48Å; V1265-I1315 HydrophobicContact CG1-CG1 3.94Å; V1265-I1315 HydrophobicContact CG2-CD1 4.09Å; V1265-I1315 HydrophobicContact CG2-CG1 4.39Å |
| 1266 | D | 91.4 | Very high | 89.9 | Confident | 31 Ų | 31 | 43 Ų | 43 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | trans | -63.2 | 152.1 | 172.8 | -157.1 | -66.3 | 0 | 0 | 0 | 109.7 | R1235 V1262 C1263 I1268 L1271 | R1235-D1266 IonicContact CZ-OD1 3.81Å; R1235-D1266 IonicContact CZ-OD2 3.37Å; R1235-D1266 IonicContact NE-OD1 3.02Å; R1235-D1266 IonicContact NE-OD2 3.83Å; R1235-D1266 PolarHBondContact NE-OD2 3.04Å; R1235-D1266 IonicContact NH2-OD1 2.85Å; R1235-D1266 PolarHBondContact NH2-OD1 2.96Å; R1235-D1266 IonicContact NH2-OD2 3.85Å; V1262-D1266 PolarHBondContact O-N 2.92Å; C1263-D1266 PolarHBondContact O-N 3.14Å; D1266-I1268 PolarHBondContact O-N 3.47Å; D1266-I1268 PolarHBondContact OD1-N 3.18Å; D1266-I1268 VanDerWaalsContact OD1-N 3.16Å; D1266-L1271 HydrophobicContact CB-CB 3.93Å; D1266-L1271 HydrophobicContact CB-CD1 4.27Å; D1266-L1271 VanDerWaalsContact CG-CD1 3.48Å; D1266-L1271 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 1267 | K | 87 | Confident | 90.4 | Very high | 211 Ų | 211 | 48.1 Ų | 48.1 | 92% | 0.917 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -68.7 | -20.3 | 178.6 | -62.9 | -178.8 | -179.2 | -179.8 | 0 | 112.2 | ||
| 1268 | I | 89.9 | Confident | 90.8 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -99 | 122.2 | -177.3 | -55.9 | 179.8 | 0 | 0 | 0 | 108.9 | A1232 D1266 R1270 L1271 N1272 | A1232-I1268 HydrophobicContact CB-CD1 3.09Å; D1266-I1268 PolarHBondContact O-N 3.47Å; D1266-I1268 PolarHBondContact OD1-N 3.18Å; D1266-I1268 VanDerWaalsContact OD1-N 3.16Å; I1268-R1270 HydrophobicContact CG2-CB 4.33Å; I1268-R1270 PolarHBondContact O-N 3.29Å; I1268-L1271 HydrophobicContact CB-CD1 4.23Å; I1268-L1271 HydrophobicContact CD1-CD1 4.41Å; I1268-L1271 WeakPolarHBondContact O-CB 3.1Å; I1268-L1271 PolarHBondContact O-N 3.04Å; I1268-L1271 VanDerWaalsContact O-N 3.16Å; I1268-N1272 PolarHBondContact O-N 3.31Å |
| 1269 | D | 87.4 | Confident | 91.2 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.3 | -40.9 | -172.9 | -168.8 | 70.1 | 0 | 0 | 0 | 113 | L1271 N1272 I1273 | D1269-L1271 PolarHBondContact O-N 3.39Å; D1269-L1271 VanDerWaalsContact O-N 3.12Å; D1269-N1272 WeakPolarHBondContact O-CA 3.39Å; D1269-N1272 WeakPolarHBondContact O-CB 3.19Å; D1269-N1272 PolarHBondContact O-N 2.81Å; D1269-I1273 PolarHBondContact O-N 2.9Å; D1269-I1273 WeakPolarHBondContact OD2-CD1 3.25Å |
| 1270 | R | 88.1 | Confident | 91.3 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -52.9 | -39.1 | 174.9 | -178 | 67.3 | 82.4 | 158 | 4.2 | 113.2 | E565 I1268 L1274 | E565-R1270 IonicContact OE1-CZ 3.33Å; E565-R1270 VanDerWaalsContact OE1-CZ 3.26Å; E565-R1270 IonicContact OE1-NH1 3.94Å; E565-R1270 PolarHBondContact OE1-NH1 3.47Å; E565-R1270 IonicContact OE1-NH2 3.25Å; E565-R1270 PolarHBondContact OE1-NH2 3Å; I1268-R1270 HydrophobicContact CG2-CB 4.33Å; I1268-R1270 PolarHBondContact O-N 3.29Å; R1270-L1274 HydrophobicContact CG-CD1 4.26Å; R1270-L1274 VanDerWaalsContact O-CG 3.28Å; R1270-L1274 WeakPolarHBondContact O-CG 3.41Å; R1270-L1274 PolarHBondContact O-N 2.94Å; R1270-L1274 VanDerWaalsContact O-N 3.11Å |
| 1271 | L | 90.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -37.9 | 177.1 | -79.7 | 171.7 | 0 | 0 | 0 | 111.9 | R1235 T1236 L1239 D1266 I1268 D1269 A1275 | R1235-L1271 HydrophobicContact CB-CD1 3.77Å; R1235-L1271 HydrophobicContact CB-CD2 4.19Å; T1236-L1271 VanDerWaalsContact CA-CD2 3.49Å; T1236-L1271 WeakPolarHBondContact OG1-CD2 3.48Å; L1239-L1271 HydrophobicContact CB-CD2 4.36Å; L1239-L1271 HydrophobicContact CD2-CD2 3.87Å; L1239-L1271 WeakPolarHBondContact CD2-O 3.32Å; D1266-L1271 HydrophobicContact CB-CB 3.93Å; D1266-L1271 HydrophobicContact CB-CD1 4.27Å; D1266-L1271 VanDerWaalsContact CG-CD1 3.48Å; D1266-L1271 WeakPolarHBondContact OD2-CD1 3.31Å; I1268-L1271 HydrophobicContact CB-CD1 4.23Å; I1268-L1271 HydrophobicContact CD1-CD1 4.41Å; I1268-L1271 WeakPolarHBondContact O-CB 3.1Å; I1268-L1271 PolarHBondContact O-N 3.04Å; I1268-L1271 VanDerWaalsContact O-N 3.16Å; D1269-L1271 PolarHBondContact O-N 3.39Å; D1269-L1271 VanDerWaalsContact O-N 3.12Å; L1271-A1275 VanDerWaalsContact O-CB 3.31Å; L1271-A1275 WeakPolarHBondContact O-CB 3.26Å; L1271-A1275 PolarHBondContact O-N 3.5Å |
| 1272 | N | 90.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 175.2 | -161 | -44.7 | 0 | 0 | 0 | 110.6 | C1263 L1264 I1268 D1269 L1274 A1275 R1276 | C1263-N1272 WeakPolarHBondContact O-CA 3.38Å; L1264-N1272 PolarHBondContact O-ND2 2.85Å; L1264-N1272 PolarHBondContact O-OD1 3.28Å; I1268-N1272 PolarHBondContact O-N 3.31Å; D1269-N1272 WeakPolarHBondContact O-CA 3.39Å; D1269-N1272 WeakPolarHBondContact O-CB 3.19Å; D1269-N1272 PolarHBondContact O-N 2.81Å; N1272-L1274 PolarHBondContact O-N 3.2Å; N1272-A1275 PolarHBondContact O-N 3.41Å; N1272-R1276 WeakPolarHBondContact O-CG 3.36Å; N1272-R1276 PolarHBondContact O-N 3.13Å; N1272-R1276 WeakPolarHBondContact OD1-CD 3.46Å; N1272-R1276 PolarHBondContact OD1-NE 3.38Å |
| 1273 | I | 91 | Very high | 90.9 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 179 | -65 | 172.6 | 0 | 0 | 0 | 111.3 | D1269 A1275 R1276 R1277 | D1269-I1273 PolarHBondContact O-N 2.9Å; D1269-I1273 WeakPolarHBondContact OD2-CD1 3.25Å; I1273-A1275 VanDerWaalsContact C-N 3.31Å; I1273-A1275 PolarHBondContact O-N 3.35Å; I1273-R1276 PolarHBondContact O-N 3.41Å; I1273-R1277 WeakPolarHBondContact O-CB 3.48Å; I1273-R1277 PolarHBondContact O-N 3.18Å |
| 1274 | L | 90.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 178.7 | -72.3 | 172.6 | 0 | 0 | 0 | 112.1 | T1236 L1239 R1270 N1272 R1277 F1278 | T1236-L1274 HydrophobicContact CG2-CD1 3.8Å; L1239-L1274 HydrophobicContact CD2-CB 3.78Å; R1270-L1274 HydrophobicContact CG-CD1 4.26Å; R1270-L1274 VanDerWaalsContact O-CG 3.28Å; R1270-L1274 WeakPolarHBondContact O-CG 3.41Å; R1270-L1274 PolarHBondContact O-N 2.94Å; R1270-L1274 VanDerWaalsContact O-N 3.11Å; N1272-L1274 PolarHBondContact O-N 3.2Å; L1274-R1277 PolarHBondContact O-N 3.43Å; L1274-F1278 WeakPolarHBondContact O-CB 3.47Å; L1274-F1278 PolarHBondContact O-N 3.48Å |
| 1275 | A | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1239 C1263 L1264 L1271 N1272 I1273 R1277 F1278 F1279 | L1239-A1275 HydrophobicContact CD2-CB 4Å; C1263-A1275 HydrophobicContact CB-CB 3.82Å; L1264-A1275 HydrophobicContact CD2-CB 3.81Å; L1264-A1275 HydrophobicContact CG-CB 4.12Å; L1271-A1275 VanDerWaalsContact O-CB 3.31Å; L1271-A1275 WeakPolarHBondContact O-CB 3.26Å; L1271-A1275 PolarHBondContact O-N 3.5Å; N1272-A1275 PolarHBondContact O-N 3.41Å; I1273-A1275 VanDerWaalsContact C-N 3.31Å; I1273-A1275 PolarHBondContact O-N 3.35Å; A1275-R1277 VanDerWaalsContact C-N 3.33Å; A1275-R1277 PolarHBondContact O-N 3.16Å; A1275-F1278 PolarHBondContact O-N 2.91Å; A1275-F1279 WeakPolarHBondContact O-CD2 3.02Å; A1275-F1279 PolarHBondContact O-N 3.48Å |
| 1276 | R | 95.6 | Very high | 89.5 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.3 | -73.8 | 178 | -175.7 | -88.2 | -5.3 | 111.1 | L1264 N1272 I1273 F1278 F1279 H1280 F1318 | L1264-R1276 HydrophobicContact CD2-CB 4.28Å; L1264-R1276 HydrophobicContact CD2-CG 3.55Å; N1272-R1276 WeakPolarHBondContact O-CG 3.36Å; N1272-R1276 PolarHBondContact O-N 3.13Å; N1272-R1276 WeakPolarHBondContact OD1-CD 3.46Å; N1272-R1276 PolarHBondContact OD1-NE 3.38Å; I1273-R1276 PolarHBondContact O-N 3.41Å; R1276-F1278 PolarHBondContact O-N 2.9Å; R1276-F1279 PolarHBondContact O-N 3.17Å; R1276-H1280 WeakPolarHBondContact O-CB 3.2Å; R1276-H1280 PolarHBondContact O-N 3.3Å; R1276-F1318 HydrophobicContact CB-CE1 4.14Å; R1276-F1318 HydrophobicContact CB-CE2 4.09Å; R1276-F1318 HydrophobicContact CB-CZ 3.58Å; R1276-F1318 HydrophobicContact CG-CD1 4.47Å; R1276-F1318 HydrophobicContact CG-CD2 4.39Å; R1276-F1318 HydrophobicContact CG-CE1 3.99Å; R1276-F1318 HydrophobicContact CG-CE2 3.89Å; R1276-F1318 HydrophobicContact CG-CZ 3.67Å; R1276-F1318 WeakPolarHBondContact O-CZ 3.39Å |
| 1277 | R | 91.3 | Very high | 89.1 | Confident | 161 Ų | 161 | 66 Ų | 66 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.8 | -46.8 | 176.8 | -177 | 177.7 | 172.3 | 167.4 | 4.1 | 112 | I1273 L1274 A1275 F1279 H1280 E1281 | I1273-R1277 WeakPolarHBondContact O-CB 3.48Å; I1273-R1277 PolarHBondContact O-N 3.18Å; L1274-R1277 PolarHBondContact O-N 3.43Å; A1275-R1277 VanDerWaalsContact C-N 3.33Å; A1275-R1277 PolarHBondContact O-N 3.16Å; R1277-F1279 PolarHBondContact O-N 2.85Å; R1277-H1280 PolarHBondContact O-N 3.05Å; R1277-E1281 HydrophobicContact CG-CG 4.48Å; R1277-E1281 IonicContact CZ-OE1 3.28Å; R1277-E1281 IonicContact NE-OE1 3.53Å; R1277-E1281 PolarHBondContact NE-OE1 2.87Å; R1277-E1281 IonicContact NH2-OE1 3.07Å; R1277-E1281 PolarHBondContact NH2-OE1 3.37Å; R1277-E1281 WeakPolarHBondContact O-CG 3.35Å; R1277-E1281 PolarHBondContact O-N 3.13Å |
| 1278 | F | 93.8 | Very high | 89 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -47.5 | 177.4 | 165 | -105.3 | 0 | 0 | 0 | 112.2 | S1243 I1246 L1247 I1257 M1260 L1274 A1275 R1276 H1280 E1281 L1282 | S1243-F1278 WeakPolarHBondContact OG-CD2 3.27Å; I1246-F1278 HydrophobicContact CB-CE2 4.15Å; I1246-F1278 HydrophobicContact CB-CZ 4.34Å; I1246-F1278 HydrophobicContact CD1-CE2 4.39Å; I1246-F1278 HydrophobicContact CD1-CZ 3.96Å; I1246-F1278 HydrophobicContact CG2-CE2 4Å; I1246-F1278 HydrophobicContact CG2-CZ 3.95Å; L1247-F1278 HydrophobicContact CD1-CD2 4.22Å; L1247-F1278 HydrophobicContact CD2-CD2 4.49Å; L1247-F1278 HydrophobicContact CD2-CE2 4.34Å; L1247-F1278 HydrophobicContact CG-CD2 4.19Å; L1247-F1278 HydrophobicContact CG-CE2 4.1Å; I1257-F1278 HydrophobicContact CD1-CE1 4.08Å; I1257-F1278 HydrophobicContact CD1-CZ 4.06Å; I1257-F1278 HydrophobicContact CG1-CE1 4.43Å; M1260-F1278 HydrophobicContact CE-CD1 3.63Å; M1260-F1278 HydrophobicContact CE-CD2 4.12Å; M1260-F1278 HydrophobicContact CE-CE1 3.44Å; M1260-F1278 VanDerWaalsContact CE-CE1 3.44Å; M1260-F1278 HydrophobicContact CE-CE2 3.95Å; M1260-F1278 HydrophobicContact CE-CG 3.95Å; M1260-F1278 HydrophobicContact CE-CZ 3.61Å; M1260-F1278 HydrophobicContact SD-CE1 3.82Å; M1260-F1278 HydrophobicContact SD-CZ 3.93Å; L1274-F1278 WeakPolarHBondContact O-CB 3.47Å; L1274-F1278 PolarHBondContact O-N 3.48Å; A1275-F1278 PolarHBondContact O-N 2.91Å; R1276-F1278 PolarHBondContact O-N 2.9Å; F1278-H1280 VanDerWaalsContact C-N 3.34Å; F1278-E1281 PolarHBondContact O-N 2.99Å; F1278-L1282 HydrophobicContact CE1-CD2 4.14Å; F1278-L1282 HydrophobicContact CZ-CD2 3.96Å; F1278-L1282 VanDerWaalsContact O-CB 3.26Å; F1278-L1282 WeakPolarHBondContact O-CB 3.27Å; F1278-L1282 PolarHBondContact O-N 3.09Å |
| 1279 | F | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.9 | -30.5 | -179.6 | -77.1 | -68.1 | 0 | 0 | 0 | 112.9 | I1257 M1260 T1261 L1264 A1275 R1276 R1277 L1282 S1283 L1289 F1318 L1319 L1322 | I1257-F1279 HydrophobicContact CD1-CE1 4.18Å; I1257-F1279 HydrophobicContact CG1-CE1 4.21Å; I1257-F1279 HydrophobicContact CG1-CZ 4.33Å; M1260-F1279 HydrophobicContact CB-CE2 4.35Å; M1260-F1279 HydrophobicContact CB-CZ 4.09Å; T1261-F1279 HydrophobicContact CG2-CE1 3.86Å; T1261-F1279 HydrophobicContact CG2-CE2 3.81Å; T1261-F1279 HydrophobicContact CG2-CZ 3.27Å; L1264-F1279 HydrophobicContact CD1-CD2 4.02Å; L1264-F1279 HydrophobicContact CD1-CE2 4.17Å; L1264-F1279 HydrophobicContact CD2-CD2 4.23Å; L1264-F1279 HydrophobicContact CG-CD2 4.27Å; L1264-F1279 HydrophobicContact CG-CE2 4.4Å; A1275-F1279 WeakPolarHBondContact O-CD2 3.02Å; A1275-F1279 PolarHBondContact O-N 3.48Å; R1276-F1279 PolarHBondContact O-N 3.17Å; R1277-F1279 PolarHBondContact O-N 2.85Å; F1279-L1282 HydrophobicContact CD1-CD2 4.18Å; F1279-L1282 HydrophobicContact CE1-CD2 4.35Å; F1279-S1283 WeakPolarHBondContact O-CB 3.45Å; F1279-S1283 PolarHBondContact O-N 3.39Å; F1279-L1289 HydrophobicContact CD1-CD1 4.08Å; F1279-F1318 HydrophobicContact CB-CE1 3.95Å; F1279-L1319 HydrophobicContact CB-CD2 3.75Å; F1279-L1319 HydrophobicContact CD1-CD2 3.65Å; F1279-L1319 HydrophobicContact CD2-CD2 3.99Å; F1279-L1319 HydrophobicContact CE1-CD2 4.29Å; F1279-L1319 HydrophobicContact CG-CD2 3.51Å; F1279-L1322 HydrophobicContact CB-CD1 4.2Å |
| 1280 | H | 91.1 | Very high | 88.8 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -50.6 | 170.3 | -170.5 | 90 | 0 | 0 | 0 | 111 | R1276 R1277 F1278 L1282 S1283 Q1284 | R1276-H1280 WeakPolarHBondContact O-CB 3.2Å; R1276-H1280 PolarHBondContact O-N 3.3Å; R1277-H1280 PolarHBondContact O-N 3.05Å; F1278-H1280 VanDerWaalsContact C-N 3.34Å; H1280-L1282 VanDerWaalsContact C-N 3.31Å; H1280-L1282 PolarHBondContact O-N 3.2Å; H1280-S1283 WeakPolarHBondContact O-CB 3.47Å; H1280-S1283 PolarHBondContact O-N 3.11Å; H1280-S1283 VanDerWaalsContact O-N 3.12Å; H1280-S1283 PolarHBondContact O-OG 3.18Å; H1280-Q1284 PolarHBondContact CD2-NE2 2.96Å; H1280-Q1284 VanDerWaalsContact CD2-NE2 3.32Å; H1280-Q1284 PolarHBondContact NE2-NE2 3.29Å; H1280-Q1284 PolarHBondContact O-N 3.24Å |
| 1281 | E | 88.9 | Confident | 88.7 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.1 | -70.4 | -176.8 | -165.2 | 0 | 0 | 112.1 | L1247 R1277 F1278 S1283 Q1284 K1285 | L1247-E1281 HydrophobicContact CD1-CB 4.23Å; L1247-E1281 VanDerWaalsContact CD1-OE2 3.24Å; L1247-E1281 WeakPolarHBondContact CD1-OE2 3.41Å; L1247-E1281 HydrophobicContact CD2-CB 4.26Å; R1277-E1281 HydrophobicContact CG-CG 4.48Å; R1277-E1281 IonicContact CZ-OE1 3.28Å; R1277-E1281 IonicContact NE-OE1 3.53Å; R1277-E1281 PolarHBondContact NE-OE1 2.87Å; R1277-E1281 IonicContact NH2-OE1 3.07Å; R1277-E1281 PolarHBondContact NH2-OE1 3.37Å; R1277-E1281 WeakPolarHBondContact O-CG 3.35Å; R1277-E1281 PolarHBondContact O-N 3.13Å; F1278-E1281 PolarHBondContact O-N 2.99Å; E1281-S1283 VanDerWaalsContact C-N 3.34Å; E1281-S1283 PolarHBondContact O-N 3.36Å; E1281-Q1284 PolarHBondContact O-N 3.26Å; E1281-K1285 PolarHBondContact O-N 3.43Å |
| 1282 | L | 89.7 | Confident | 88.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -34 | 175.6 | -172.1 | 66 | 0 | 0 | 0 | 112.3 | I1246 L1247 I1257 F1278 F1279 H1280 Q1284 K1285 A1288 | I1246-L1282 HydrophobicContact CG2-CD1 4.34Å; L1247-L1282 HydrophobicContact CD2-CB 4.41Å; L1247-L1282 HydrophobicContact CD2-CD1 4.32Å; I1257-L1282 HydrophobicContact CD1-CD2 3.7Å; F1278-L1282 HydrophobicContact CE1-CD2 4.14Å; F1278-L1282 HydrophobicContact CZ-CD2 3.96Å; F1278-L1282 VanDerWaalsContact O-CB 3.26Å; F1278-L1282 WeakPolarHBondContact O-CB 3.27Å; F1278-L1282 PolarHBondContact O-N 3.09Å; F1279-L1282 HydrophobicContact CD1-CD2 4.18Å; F1279-L1282 HydrophobicContact CE1-CD2 4.35Å; H1280-L1282 VanDerWaalsContact C-N 3.31Å; H1280-L1282 PolarHBondContact O-N 3.2Å; L1282-Q1284 PolarHBondContact O-N 3.03Å; L1282-K1285 PolarHBondContact O-N 3.33Å; L1282-A1288 HydrophobicContact CD1-CB 3.76Å; L1282-A1288 HydrophobicContact CG-CB 4.18Å |
| 1283 | S | 87 | Confident | 88.6 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -30.2 | 176 | 81.1 | 0 | 0 | 0 | 0 | 112.3 | F1279 H1280 E1281 K1285 | F1279-S1283 WeakPolarHBondContact O-CB 3.45Å; F1279-S1283 PolarHBondContact O-N 3.39Å; H1280-S1283 WeakPolarHBondContact O-CB 3.47Å; H1280-S1283 PolarHBondContact O-N 3.11Å; H1280-S1283 VanDerWaalsContact O-N 3.12Å; H1280-S1283 PolarHBondContact O-OG 3.18Å; E1281-S1283 VanDerWaalsContact C-N 3.34Å; E1281-S1283 PolarHBondContact O-N 3.36Å; S1283-K1285 VanDerWaalsContact C-N 3.33Å |
| 1284 | Q | 86.2 | Confident | 88.3 | Confident | 137 Ų | 137 | 47 Ų | 47 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -75.7 | -21.1 | 176.8 | -61.3 | -176.6 | 11.6 | 0 | 0 | 112.5 | H1280 E1281 L1282 G1286 | H1280-Q1284 PolarHBondContact CD2-NE2 2.96Å; H1280-Q1284 VanDerWaalsContact CD2-NE2 3.32Å; H1280-Q1284 PolarHBondContact NE2-NE2 3.29Å; H1280-Q1284 PolarHBondContact O-N 3.24Å; E1281-Q1284 PolarHBondContact O-N 3.26Å; L1282-Q1284 PolarHBondContact O-N 3.03Å; Q1284-G1286 PolarHBondContact O-N 2.96Å |
| 1285 | K | 82.7 | Confident | 88 | Confident | 96 Ų | 96 | 48.9 Ų | 48.9 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83.4 | 80.1 | 178.2 | -71.2 | -161.3 | 174.8 | -154.9 | 0 | 112.8 | L1247 E1281 L1282 S1283 N1287 A1288 | L1247-K1285 HydrophobicContact CD2-CD 4.12Å; L1247-K1285 PolarHBondContact O-NZ 3.23Å; E1281-K1285 PolarHBondContact O-N 3.43Å; L1282-K1285 PolarHBondContact O-N 3.33Å; S1283-K1285 VanDerWaalsContact C-N 3.33Å; K1285-N1287 PolarHBondContact O-N 3Å; K1285-A1288 VanDerWaalsContact O-CB 3.31Å; K1285-A1288 WeakPolarHBondContact O-CB 3.03Å; K1285-A1288 PolarHBondContact O-N 3.39Å |
| 1286 | G | 78.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -117 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1284 K1325 | Q1284-G1286 PolarHBondContact O-N 2.96Å; G1286-K1325 PolarHBondContact O-NZ 2.7Å |
| 1287 | N | 83.1 | Confident | 87.6 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 20.7 | 179.4 | -59.9 | -18.7 | 0 | 0 | 0 | 111.7 | K1285 Y1290 N1291 L1328 | K1285-N1287 PolarHBondContact O-N 3Å; N1287-Y1290 PolarHBondContact O-N 2.9Å; N1287-N1291 PolarHBondContact O-N 2.87Å; N1287-N1291 PolarHBondContact O-ND2 3.41Å; N1287-L1328 HydrophobicContact CB-CD1 4.46Å; N1287-L1328 WeakPolarHBondContact OD1-CD1 3.33Å |
| 1288 | A | 85.3 | Confident | 87.3 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 22% | 0.223 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1282 K1285 Y1290 N1291 V1292 | L1282-A1288 HydrophobicContact CD1-CB 3.76Å; L1282-A1288 HydrophobicContact CG-CB 4.18Å; K1285-A1288 VanDerWaalsContact O-CB 3.31Å; K1285-A1288 WeakPolarHBondContact O-CB 3.03Å; K1285-A1288 PolarHBondContact O-N 3.39Å; A1288-Y1290 VanDerWaalsContact C-N 3.33Å; A1288-Y1290 PolarHBondContact O-N 3.38Å; A1288-N1291 PolarHBondContact O-N 2.97Å; A1288-V1292 PolarHBondContact O-N 2.73Å |
| 1289 | L | 87.4 | Confident | 87 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 178.9 | -179 | 59.2 | 0 | 0 | 0 | 112 | F1279 N1291 V1292 V1293 L1319 L1322 I1323 | F1279-L1289 HydrophobicContact CD1-CD1 4.08Å; L1289-N1291 VanDerWaalsContact C-N 3.3Å; L1289-N1291 PolarHBondContact O-N 3.48Å; L1289-V1292 HydrophobicContact CD1-CG2 4.3Å; L1289-V1292 WeakPolarHBondContact O-CG2 3.31Å; L1289-V1292 PolarHBondContact O-N 3.03Å; L1289-V1293 HydrophobicContact CD1-CG2 4.14Å; L1289-V1293 HydrophobicContact CG-CG2 4.2Å; L1289-V1293 WeakPolarHBondContact O-CG2 3.48Å; L1289-V1293 PolarHBondContact O-N 2.7Å; L1289-V1293 VanDerWaalsContact O-N 3.13Å; L1289-L1319 HydrophobicContact CD1-CD2 4.33Å; L1289-L1322 HydrophobicContact CD2-CB 3.76Å; L1289-L1322 HydrophobicContact CD2-CD1 4.36Å; L1289-I1323 HydrophobicContact CD2-CG1 4.05Å; L1289-I1323 HydrophobicContact CG-CG1 4.29Å |
| 1290 | Y | 86.1 | Confident | 86.7 | Confident | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -38.7 | 178.2 | 162.6 | -94.4 | 0 | 0 | 0 | 113.3 | N1287 A1288 V1292 P1294 L1328 T1331 L1332 K1335 | N1287-Y1290 PolarHBondContact O-N 2.9Å; A1288-Y1290 VanDerWaalsContact C-N 3.33Å; A1288-Y1290 PolarHBondContact O-N 3.38Å; Y1290-V1292 VanDerWaalsContact C-N 3.28Å; Y1290-V1292 PolarHBondContact O-N 2.95Å; Y1290-P1294 WeakPolarHBondContact O-CD 3.4Å; Y1290-L1328 HydrophobicContact CD1-CD2 4.19Å; Y1290-L1328 HydrophobicContact CD2-CB 4.02Å; Y1290-L1328 HydrophobicContact CD2-CD2 4.42Å; Y1290-L1328 HydrophobicContact CE1-CD2 4.45Å; Y1290-L1328 HydrophobicContact CE2-CB 4.47Å; Y1290-L1328 WeakPolarHBondContact CE2-O 3.3Å; Y1290-L1328 HydrophobicContact CG-CB 4.38Å; Y1290-L1328 HydrophobicContact CG-CD1 4.46Å; Y1290-L1328 HydrophobicContact CG-CD2 4.17Å; Y1290-T1331 WeakPolarHBondContact CE2-OG1 2.99Å; Y1290-T1331 VanDerWaalsContact OH-CB 3.29Å; Y1290-T1331 WeakPolarHBondContact OH-CB 3.37Å; Y1290-T1331 PolarHBondContact OH-OG1 3.14Å; Y1290-L1332 HydrophobicContact CD2-CB 4.25Å; Y1290-L1332 HydrophobicContact CD2-CD1 4.45Å; Y1290-L1332 HydrophobicContact CE2-CB 3.97Å; Y1290-L1332 HydrophobicContact CE2-CD1 4.39Å; Y1290-K1335 VanDerWaalsContact OH-CE 3.23Å; Y1290-K1335 WeakPolarHBondContact OH-CE 3.42Å; Y1290-K1335 PolarHBondContact OH-NZ 2.8Å |
| 1291 | N | 86.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 40 Ų | 40 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.8 | -27 | -178.2 | -72 | -28.6 | 0 | 0 | 0 | 112.9 | N1287 A1288 L1289 | N1287-N1291 PolarHBondContact O-N 2.87Å; N1287-N1291 PolarHBondContact O-ND2 3.41Å; A1288-N1291 PolarHBondContact O-N 2.97Å; L1289-N1291 VanDerWaalsContact C-N 3.3Å; L1289-N1291 PolarHBondContact O-N 3.48Å |
| 1292 | V | 87.5 | Confident | 86.3 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -98.1 | -21.6 | -173.4 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | V1253 I1257 A1288 L1289 Y1290 D1295 I1296 | V1253-V1292 HydrophobicContact CB-CG1 4.15Å; V1253-V1292 HydrophobicContact CG1-CB 4.47Å; V1253-V1292 HydrophobicContact CG1-CG1 3.41Å; V1253-V1292 VanDerWaalsContact CG1-CG1 3.41Å; I1257-V1292 HydrophobicContact CD1-CG2 4.47Å; I1257-V1292 HydrophobicContact CG2-CB 3.94Å; I1257-V1292 HydrophobicContact CG2-CG1 4.25Å; I1257-V1292 HydrophobicContact CG2-CG2 4.4Å; A1288-V1292 PolarHBondContact O-N 2.73Å; L1289-V1292 HydrophobicContact CD1-CG2 4.3Å; L1289-V1292 WeakPolarHBondContact O-CG2 3.31Å; L1289-V1292 PolarHBondContact O-N 3.03Å; Y1290-V1292 VanDerWaalsContact C-N 3.28Å; Y1290-V1292 PolarHBondContact O-N 2.95Å; V1292-D1295 WeakPolarHBondContact O-CA 3.19Å; V1292-D1295 WeakPolarHBondContact O-CB 3.33Å; V1292-D1295 PolarHBondContact O-N 2.91Å; V1292-I1296 HydrophobicContact CB-CD1 4.31Å; V1292-I1296 HydrophobicContact CG2-CD1 3.87Å; V1292-I1296 WeakPolarHBondContact O-CG1 3.38Å; V1292-I1296 PolarHBondContact O-N 3.21Å |
| 1293 | V | 89.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.3 | -45.8 | 178.6 | 167.6 | 0 | 0 | 0 | 0 | 112.9 | L1289 D1295 I1296 I1297 M1316 I1323 L1332 | L1289-V1293 HydrophobicContact CD1-CG2 4.14Å; L1289-V1293 HydrophobicContact CG-CG2 4.2Å; L1289-V1293 WeakPolarHBondContact O-CG2 3.48Å; L1289-V1293 PolarHBondContact O-N 2.7Å; L1289-V1293 VanDerWaalsContact O-N 3.13Å; V1293-D1295 VanDerWaalsContact C-N 3.32Å; V1293-D1295 PolarHBondContact O-N 3.38Å; V1293-I1296 PolarHBondContact O-N 3.07Å; V1293-I1297 HydrophobicContact CG1-CD1 3.79Å; V1293-I1297 HydrophobicContact CG1-CG1 4.41Å; V1293-I1297 VanDerWaalsContact O-CG1 3.32Å; V1293-I1297 WeakPolarHBondContact O-CG1 3.37Å; V1293-I1297 PolarHBondContact O-N 3.49Å; V1293-M1316 HydrophobicContact CG1-CE 4.21Å; V1293-I1323 HydrophobicContact CG2-CD1 3.84Å; V1293-L1332 HydrophobicContact CG1-CD1 4.06Å; V1293-L1332 HydrophobicContact CG1-CD2 4.37Å |
| 1294 | P | 85.2 | Confident | 84.9 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 174.2 | -26 | 35.9 | 0 | 0 | 0 | 112.4 | Y1290 I1296 I1297 S1298 R1339 | Y1290-P1294 WeakPolarHBondContact O-CD 3.4Å; P1294-I1296 PolarHBondContact O-N 3.47Å; P1294-I1297 PolarHBondContact O-N 2.92Å; P1294-S1298 PolarHBondContact O-N 2.89Å; P1294-S1298 PolarHBondContact O-OG 2.97Å; P1294-R1339 PolarHBondContact O-NH1 3.23Å; P1294-R1339 PolarHBondContact O-NH2 3.44Å |
| 1295 | D | 84.6 | Confident | 84.2 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | -179.7 | -74.2 | -10.3 | 0 | 0 | 0 | 112.3 | V1292 V1293 S1298 R1299 | V1292-D1295 WeakPolarHBondContact O-CA 3.19Å; V1292-D1295 WeakPolarHBondContact O-CB 3.33Å; V1292-D1295 PolarHBondContact O-N 2.91Å; V1293-D1295 VanDerWaalsContact C-N 3.32Å; V1293-D1295 PolarHBondContact O-N 3.38Å; D1295-S1298 PolarHBondContact O-N 2.73Å; D1295-R1299 PolarHBondContact O-N 3.16Å; D1295-R1299 PolarHBondContact O-NH1 3.49Å |
| 1296 | I | 91 | Very high | 84 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -52.7 | 173.4 | -68.1 | 163.5 | 0 | 0 | 0 | 109.8 | I1257 T1261 V1292 V1293 P1294 S1298 R1299 L1300 M1316 L1319 | I1257-I1296 HydrophobicContact CG2-CD1 4.39Å; I1257-I1296 HydrophobicContact CG2-CG1 4.19Å; T1261-I1296 HydrophobicContact CG2-CD1 3.83Å; T1261-I1296 HydrophobicContact CG2-CG1 4.15Å; T1261-I1296 HydrophobicContact CG2-CG2 4.03Å; V1292-I1296 HydrophobicContact CB-CD1 4.31Å; V1292-I1296 HydrophobicContact CG2-CD1 3.87Å; V1292-I1296 WeakPolarHBondContact O-CG1 3.38Å; V1292-I1296 PolarHBondContact O-N 3.21Å; V1293-I1296 PolarHBondContact O-N 3.07Å; P1294-I1296 PolarHBondContact O-N 3.47Å; I1296-S1298 VanDerWaalsContact C-N 3.29Å; I1296-S1298 PolarHBondContact O-N 3.35Å; I1296-R1299 PolarHBondContact O-N 3.29Å; I1296-L1300 HydrophobicContact CG2-CD1 3.54Å; I1296-L1300 HydrophobicContact CG2-CG 4.06Å; I1296-L1300 WeakPolarHBondContact O-CB 3.24Å; I1296-L1300 WeakPolarHBondContact O-CG 3.5Å; I1296-L1300 PolarHBondContact O-N 2.8Å; I1296-M1316 HydrophobicContact CG2-SD 4.27Å; I1296-L1319 HydrophobicContact CD1-CD1 4.35Å; I1296-L1319 HydrophobicContact CG2-CD1 4.41Å |
| 1297 | I | 89.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | -179.8 | -67.2 | 167 | 0 | 0 | 0 | 110.9 | V1293 P1294 R1299 S1301 F1312 M1316 L1336 L1352 C1355 | V1293-I1297 HydrophobicContact CG1-CD1 3.79Å; V1293-I1297 HydrophobicContact CG1-CG1 4.41Å; V1293-I1297 VanDerWaalsContact O-CG1 3.32Å; V1293-I1297 WeakPolarHBondContact O-CG1 3.37Å; V1293-I1297 PolarHBondContact O-N 3.49Å; P1294-I1297 PolarHBondContact O-N 2.92Å; I1297-R1299 VanDerWaalsContact C-N 3.29Å; I1297-R1299 PolarHBondContact O-N 3.45Å; I1297-S1301 WeakPolarHBondContact O-CB 3.47Å; I1297-S1301 PolarHBondContact O-N 3.27Å; I1297-S1301 PolarHBondContact O-OG 2.92Å; I1297-F1312 HydrophobicContact CG1-CZ 4.47Å; I1297-F1312 HydrophobicContact CG2-CZ 4.31Å; I1297-M1316 HydrophobicContact CD1-CE 3.9Å; I1297-M1316 HydrophobicContact CG1-CE 3.72Å; I1297-M1316 HydrophobicContact CG1-SD 4.05Å; I1297-L1336 HydrophobicContact CD1-CD2 3.48Å; I1297-L1336 VanDerWaalsContact CD1-CD2 3.48Å; I1297-L1352 HydrophobicContact CG2-CD2 3.98Å; I1297-C1355 HydrophobicContact CD1-CB 4.44Å |
| 1298 | S | 85.8 | Confident | 84.7 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | -178.3 | -34.1 | 0 | 0 | 0 | 0 | 112.6 | P1294 D1295 I1296 S1301 R1339 | P1294-S1298 PolarHBondContact O-N 2.89Å; P1294-S1298 PolarHBondContact O-OG 2.97Å; D1295-S1298 PolarHBondContact O-N 2.73Å; I1296-S1298 VanDerWaalsContact C-N 3.29Å; I1296-S1298 PolarHBondContact O-N 3.35Å; S1298-S1301 PolarHBondContact O-OG 2.68Å; S1298-R1339 PolarHBondContact OG-NH1 3.47Å; S1298-R1339 PolarHBondContact OG-NH2 3.1Å |
| 1299 | R | 86.7 | Confident | 84.7 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.8 | -36.8 | -172.2 | -159.2 | -174.5 | -62.7 | 67.7 | 17 | 112 | G1255 S1258 D1295 I1296 I1297 S1301 D1302 G1306 | G1255-R1299 VanDerWaalsContact C-CZ 3.43Å; G1255-R1299 PolarHBondContact O-NH1 3.49Å; G1255-R1299 PolarHBondContact O-NH2 3.42Å; S1258-R1299 VanDerWaalsContact CB-NH1 3.28Å; S1258-R1299 WeakPolarHBondContact OG-CD 3.19Å; S1258-R1299 PolarHBondContact OG-NE 3.03Å; S1258-R1299 PolarHBondContact OG-NH1 3.48Å; D1295-R1299 PolarHBondContact O-N 3.16Å; D1295-R1299 PolarHBondContact O-NH1 3.49Å; I1296-R1299 PolarHBondContact O-N 3.29Å; I1297-R1299 VanDerWaalsContact C-N 3.29Å; I1297-R1299 PolarHBondContact O-N 3.45Å; R1299-S1301 VanDerWaalsContact C-N 3.34Å; R1299-D1302 WeakPolarHBondContact O-CB 3.37Å; R1299-D1302 PolarHBondContact O-N 3.25Å; R1299-G1306 WeakPolarHBondContact O-CA 3.37Å |
| 1300 | L | 89.4 | Confident | 84.8 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.4 | -26.2 | 177.5 | -61.9 | -174 | 0 | 0 | 0 | 112.9 | V1262 I1296 D1302 V1307 F1312 I1315 | V1262-L1300 HydrophobicContact CG2-CD2 4.2Å; I1296-L1300 HydrophobicContact CG2-CD1 3.54Å; I1296-L1300 HydrophobicContact CG2-CG 4.06Å; I1296-L1300 WeakPolarHBondContact O-CB 3.24Å; I1296-L1300 WeakPolarHBondContact O-CG 3.5Å; I1296-L1300 PolarHBondContact O-N 2.8Å; L1300-D1302 VanDerWaalsContact C-N 3.34Å; L1300-V1307 HydrophobicContact CB-CG2 4.11Å; L1300-V1307 HydrophobicContact CD2-CG1 4.21Å; L1300-V1307 HydrophobicContact CD2-CG2 4.23Å; L1300-V1307 PolarHBondContact O-N 2.96Å; L1300-F1312 HydrophobicContact CB-CD2 3.6Å; L1300-F1312 HydrophobicContact CB-CE2 3.94Å; L1300-F1312 HydrophobicContact CD1-CD2 4.43Å; L1300-I1315 HydrophobicContact CD1-CD1 4.01Å; L1300-I1315 HydrophobicContact CD1-CG2 3.93Å |
| 1301 | S | 86.3 | Confident | 85.1 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.9 | 175.9 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | I1297 S1298 R1299 D1351 | I1297-S1301 WeakPolarHBondContact O-CB 3.47Å; I1297-S1301 PolarHBondContact O-N 3.27Å; I1297-S1301 PolarHBondContact O-OG 2.92Å; S1298-S1301 PolarHBondContact O-OG 2.68Å; R1299-S1301 VanDerWaalsContact C-N 3.34Å; S1301-D1351 WeakPolarHBondContact CA-OD2 3.42Å; S1301-D1351 WeakPolarHBondContact CB-OD2 3.43Å |
| 1302 | D | 84 | Confident | 85.4 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | trans | -70.3 | 123.8 | 174.9 | -170 | -60.8 | 0 | 0 | 0 | 109.8 | R1299 L1300 T1304 I1305 G1306 | R1299-D1302 WeakPolarHBondContact O-CB 3.37Å; R1299-D1302 PolarHBondContact O-N 3.25Å; L1300-D1302 VanDerWaalsContact C-N 3.34Å; D1302-T1304 PolarHBondContact O-N 3.06Å; D1302-T1304 WeakPolarHBondContact OD1-CA 3.44Å; D1302-T1304 WeakPolarHBondContact OD1-CB 3.42Å; D1302-T1304 PolarHBondContact OD1-N 2.82Å; D1302-T1304 PolarHBondContact OD1-OG1 2.89Å; D1302-I1305 PolarHBondContact OD1-N 3.3Å; D1302-G1306 WeakPolarHBondContact O-CA 3.4Å; D1302-G1306 PolarHBondContact O-N 2.89Å | ||
| 1303 | P | 72.7 | Confident | 85.6 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.8 | -176.3 | 27.9 | -34.9 | 0 | 0 | 0 | 114.3 | L1345 | P1303-L1345 HydrophobicContact CG-CD1 3.9Š|
| 1304 | T | 75.3 | Confident | 85.7 | Confident | 117 Ų | 117 | 52.6 Ų | 52.6 | 72% | 0.718 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -36.6 | -177 | 63 | 0 | 0 | 0 | 0 | 113.3 | D1302 | D1302-T1304 PolarHBondContact O-N 3.06Å; D1302-T1304 WeakPolarHBondContact OD1-CA 3.44Å; D1302-T1304 WeakPolarHBondContact OD1-CB 3.42Å; D1302-T1304 PolarHBondContact OD1-N 2.82Å; D1302-T1304 PolarHBondContact OD1-OG1 2.89Å |
| 1305 | I | 71.9 | Confident | 86.1 | Confident | 121 Ų | 121 | 52 Ų | 52 | 62% | 0.621 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -20.6 | -174 | -60.4 | 160.3 | 0 | 0 | 0 | 111.8 | D1302 | D1302-I1305 PolarHBondContact OD1-N 3.3Š|
| 1306 | G | 78.8 | Confident | 86.5 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -78.4 | -166.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1299 D1302 | R1299-G1306 WeakPolarHBondContact O-CA 3.37Å; D1302-G1306 WeakPolarHBondContact O-CA 3.4Å; D1302-G1306 PolarHBondContact O-N 2.89Å |
| 1307 | V | 86.5 | Confident | 86.6 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | trans | -101.1 | 164.6 | -177.3 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | V1262 L1300 H1311 F1312 I1315 R1347 | V1262-V1307 HydrophobicContact CG2-CG1 4.04Å; L1300-V1307 HydrophobicContact CB-CG2 4.11Å; L1300-V1307 HydrophobicContact CD2-CG1 4.21Å; L1300-V1307 HydrophobicContact CD2-CG2 4.23Å; L1300-V1307 PolarHBondContact O-N 2.96Å; V1307-H1311 HydrophobicContact CB-CB 4.03Å; V1307-H1311 HydrophobicContact CG2-CB 4.19Å; V1307-F1312 HydrophobicContact CG2-CB 3.94Å; V1307-I1315 HydrophobicContact CG2-CD1 4.48Å; V1307-R1347 PolarHBondContact O-NH1 2.76Å; V1307-R1347 PolarHBondContact O-NH2 3.43Å | ||
| 1308 | S | 88.6 | Confident | 86.8 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | trans | -57.1 | 155.7 | 170.5 | 62.2 | 0 | 0 | 0 | 0 | 111 | E1310 H1311 F1312 | S1308-E1310 VanDerWaalsContact C-N 3.26Å; S1308-E1310 PolarHBondContact O-N 3.27Å; S1308-H1311 PolarHBondContact O-N 2.95Å; S1308-H1311 WeakPolarHBondContact OG-CB 3.31Å; S1308-H1311 VanDerWaalsContact OG-CG 3.27Å; S1308-H1311 PolarHBondContact OG-N 3.21Å; S1308-H1311 PolarHBondContact OG-ND1 3.45Å; S1308-F1312 PolarHBondContact O-N 3.4Å | ||
| 1309 | E | 86.9 | Confident | 87.1 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 178.1 | -78.8 | 177 | -162.9 | 0 | 0 | 112.2 | F1312 H1313 R1347 R1350 | E1309-F1312 WeakPolarHBondContact O-CB 3.4Å; E1309-F1312 PolarHBondContact O-N 3.2Å; E1309-H1313 VanDerWaalsContact O-CG 3.27Å; E1309-H1313 PolarHBondContact O-N 3.5Å; E1309-R1347 WeakPolarHBondContact OE1-CD 3.47Å; E1309-R1347 IonicContact OE1-NE 2.67Å; E1309-R1350 VanDerWaalsContact CD-NH1 3.32Å; E1309-R1350 IonicContact OE1-CZ 3.85Å; E1309-R1350 IonicContact OE1-NH1 3.69Å; E1309-R1350 PolarHBondContact OE1-NH1 3.36Å; E1309-R1350 IonicContact OE1-NH2 3.64Å; E1309-R1350 PolarHBondContact OE1-NH2 3.39Å; E1309-R1350 IonicContact OE2-CZ 3.1Å; E1309-R1350 IonicContact OE2-NH1 3.28Å; E1309-R1350 PolarHBondContact OE2-NH1 2.69Å; E1309-R1350 IonicContact OE2-NH2 2.83Å |
| 1310 | E | 88.9 | Confident | 87.3 | Confident | 157 Ų | 157 | 50.6 Ų | 50.6 | 73% | 0.734 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 178.7 | -64.5 | 179.4 | 172 | 0 | 0 | 112.1 | S1308 H1313 S1314 | S1308-E1310 VanDerWaalsContact C-N 3.26Å; S1308-E1310 PolarHBondContact O-N 3.27Å; E1310-H1313 PolarHBondContact O-N 2.97Å; E1310-S1314 PolarHBondContact O-N 3.41Å |
| 1311 | H | 91.1 | Very high | 87.3 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 39% | 0.389 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 176.8 | -70.2 | 163.4 | 0 | 0 | 0 | 112.1 | V1265 V1307 S1308 H1313 S1314 I1315 | V1265-H1311 HydrophobicContact CG1-CB 4.4Å; V1265-H1311 HydrophobicContact CG2-CB 4.09Å; V1307-H1311 HydrophobicContact CB-CB 4.03Å; V1307-H1311 HydrophobicContact CG2-CB 4.19Å; S1308-H1311 PolarHBondContact O-N 2.95Å; S1308-H1311 WeakPolarHBondContact OG-CB 3.31Å; S1308-H1311 VanDerWaalsContact OG-CG 3.27Å; S1308-H1311 PolarHBondContact OG-N 3.21Å; S1308-H1311 PolarHBondContact OG-ND1 3.45Å; H1311-H1313 VanDerWaalsContact C-N 3.32Å; H1311-H1313 PolarHBondContact O-N 3.17Å; H1311-S1314 PolarHBondContact O-N 3.33Å; H1311-I1315 WeakPolarHBondContact O-CB 3.49Å; H1311-I1315 WeakPolarHBondContact O-CD1 3.25Å; H1311-I1315 VanDerWaalsContact O-CG1 3.22Å; H1311-I1315 WeakPolarHBondContact O-CG1 3.43Å; H1311-I1315 PolarHBondContact O-N 3.27Å |
| 1312 | F | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 174 | 178.6 | -90.1 | 0 | 0 | 0 | 110.9 | I1297 L1300 V1307 S1308 E1309 I1315 M1316 D1351 | I1297-F1312 HydrophobicContact CG1-CZ 4.47Å; I1297-F1312 HydrophobicContact CG2-CZ 4.31Å; L1300-F1312 HydrophobicContact CB-CD2 3.6Å; L1300-F1312 HydrophobicContact CB-CE2 3.94Å; L1300-F1312 HydrophobicContact CD1-CD2 4.43Å; V1307-F1312 HydrophobicContact CG2-CB 3.94Å; S1308-F1312 PolarHBondContact O-N 3.4Å; E1309-F1312 WeakPolarHBondContact O-CB 3.4Å; E1309-F1312 PolarHBondContact O-N 3.2Å; F1312-I1315 PolarHBondContact O-N 3.1Å; F1312-M1316 HydrophobicContact CD1-CG 4.17Å; F1312-M1316 HydrophobicContact CD2-CG 4.37Å; F1312-M1316 HydrophobicContact CE1-CB 4.44Å; F1312-M1316 HydrophobicContact CE1-CG 3.7Å; F1312-M1316 HydrophobicContact CE2-CG 3.95Å; F1312-M1316 HydrophobicContact CG-CG 4.46Å; F1312-M1316 HydrophobicContact CZ-CG 3.57Å; F1312-M1316 HydrophobicContact CZ-SD 4.43Å; F1312-M1316 WeakPolarHBondContact O-CB 3.34Å; F1312-M1316 WeakPolarHBondContact O-CG 3.41Å; F1312-M1316 PolarHBondContact O-N 2.92Å; F1312-D1351 HydrophobicContact CD1-CB 4.03Å; F1312-D1351 HydrophobicContact CE1-CB 3.46Å; F1312-D1351 VanDerWaalsContact CE1-CB 3.46Å; F1312-D1351 HydrophobicContact CE2-CB 4.32Å; F1312-D1351 HydrophobicContact CZ-CB 3.64Å |
| 1313 | H | 91.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 25% | 0.25 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 178.6 | -67.9 | 164 | 0 | 0 | 0 | 111.9 | E1309 E1310 H1311 I1315 M1316 E1317 F1354 | E1309-H1313 VanDerWaalsContact O-CG 3.27Å; E1309-H1313 PolarHBondContact O-N 3.5Å; E1310-H1313 PolarHBondContact O-N 2.97Å; H1311-H1313 VanDerWaalsContact C-N 3.32Å; H1311-H1313 PolarHBondContact O-N 3.17Å; H1313-I1315 VanDerWaalsContact C-N 3.33Å; H1313-I1315 PolarHBondContact O-N 3.01Å; H1313-M1316 PolarHBondContact O-N 3.03Å; H1313-E1317 WeakPolarHBondContact O-CB 3.41Å; H1313-E1317 PolarHBondContact O-N 3.39Å; H1313-F1354 HydrophobicContact CB-CD1 4.37Å; H1313-F1354 HydrophobicContact CB-CE1 3.77Å; H1313-F1354 HydrophobicContact CB-CE2 3.94Å; H1313-F1354 HydrophobicContact CB-CZ 3.53Å; H1313-F1354 AromaticContact CD2-CD1 3.32Å; H1313-F1354 WeakPolarHBondContact CD2-CD1 3.4Å; H1313-F1354 AromaticContact CD2-CD2 3.49Å; H1313-F1354 VanDerWaalsContact CD2-CD2 3.49Å; H1313-F1354 WeakPolarHBondContact CD2-CD2 3.45Å; H1313-F1354 AromaticContact CD2-CE1 3.66Å; H1313-F1354 AromaticContact CD2-CE2 3.8Å; H1313-F1354 AromaticContact CD2-CG 3.23Å; H1313-F1354 WeakPolarHBondContact CD2-CG 3.29Å; H1313-F1354 AromaticContact CD2-CZ 3.88Å; H1313-F1354 AromaticContact CG-CD2 3.84Å; H1313-F1354 AromaticContact CG-CE1 3.91Å; H1313-F1354 AromaticContact CG-CE2 3.7Å; H1313-F1354 AromaticContact CG-CZ 3.74Å; H1313-F1354 AromaticContact NE2-CD2 3.63Å; H1313-F1354 AromaticContact NE2-CG 3.51Å |
| 1314 | S | 91.6 | Very high | 88.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | E1310 H1311 F1318 | E1310-S1314 PolarHBondContact O-N 3.41Å; H1311-S1314 PolarHBondContact O-N 3.33Å; S1314-F1318 PolarHBondContact O-N 2.53Å |
| 1315 | I | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 176.2 | -69.8 | 167.4 | 0 | 0 | 0 | 111 | T1261 L1264 V1265 L1300 V1307 H1311 F1312 H1313 F1318 L1319 | T1261-I1315 HydrophobicContact CG2-CG2 4.48Å; T1261-I1315 WeakPolarHBondContact O-CD1 3.47Å; L1264-I1315 HydrophobicContact CB-CG1 4.23Å; L1264-I1315 HydrophobicContact CD1-CG1 4.5Å; L1264-I1315 HydrophobicContact CD1-CG2 4.06Å; V1265-I1315 HydrophobicContact CG1-CD1 4.48Å; V1265-I1315 HydrophobicContact CG1-CG1 3.94Å; V1265-I1315 HydrophobicContact CG2-CD1 4.09Å; V1265-I1315 HydrophobicContact CG2-CG1 4.39Å; L1300-I1315 HydrophobicContact CD1-CD1 4.01Å; L1300-I1315 HydrophobicContact CD1-CG2 3.93Å; V1307-I1315 HydrophobicContact CG2-CD1 4.48Å; H1311-I1315 WeakPolarHBondContact O-CB 3.49Å; H1311-I1315 WeakPolarHBondContact O-CD1 3.25Å; H1311-I1315 VanDerWaalsContact O-CG1 3.22Å; H1311-I1315 WeakPolarHBondContact O-CG1 3.43Å; H1311-I1315 PolarHBondContact O-N 3.27Å; F1312-I1315 PolarHBondContact O-N 3.1Å; H1313-I1315 VanDerWaalsContact C-N 3.33Å; H1313-I1315 PolarHBondContact O-N 3.01Å; I1315-F1318 PolarHBondContact O-N 3.12Å; I1315-L1319 HydrophobicContact CG2-CD1 3.67Å; I1315-L1319 HydrophobicContact CG2-CG 4.33Å; I1315-L1319 WeakPolarHBondContact O-CG 3.36Å; I1315-L1319 PolarHBondContact O-N 2.77Å |
| 1316 | M | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.8 | -30.3 | -174.3 | -67.9 | -52 | -56 | 0 | 0 | 112.8 | V1293 I1296 I1297 F1312 H1313 F1318 L1319 I1320 F1354 | V1293-M1316 HydrophobicContact CG1-CE 4.21Å; I1296-M1316 HydrophobicContact CG2-SD 4.27Å; I1297-M1316 HydrophobicContact CD1-CE 3.9Å; I1297-M1316 HydrophobicContact CG1-CE 3.72Å; I1297-M1316 HydrophobicContact CG1-SD 4.05Å; F1312-M1316 HydrophobicContact CD1-CG 4.17Å; F1312-M1316 HydrophobicContact CD2-CG 4.37Å; F1312-M1316 HydrophobicContact CE1-CB 4.44Å; F1312-M1316 HydrophobicContact CE1-CG 3.7Å; F1312-M1316 HydrophobicContact CE2-CG 3.95Å; F1312-M1316 HydrophobicContact CG-CG 4.46Å; F1312-M1316 HydrophobicContact CZ-CG 3.57Å; F1312-M1316 HydrophobicContact CZ-SD 4.43Å; F1312-M1316 WeakPolarHBondContact O-CB 3.34Å; F1312-M1316 WeakPolarHBondContact O-CG 3.41Å; F1312-M1316 PolarHBondContact O-N 2.92Å; H1313-M1316 PolarHBondContact O-N 3.03Å; M1316-F1318 VanDerWaalsContact C-N 3.26Å; M1316-F1318 PolarHBondContact O-N 2.98Å; M1316-L1319 PolarHBondContact O-N 2.87Å; M1316-L1319 HydrophobicContact SD-CD1 4.46Å; M1316-I1320 HydrophobicContact CB-CD1 4.32Å; M1316-I1320 HydrophobicContact CE-CD1 3.64Å; M1316-I1320 HydrophobicContact CE-CG1 3.69Å; M1316-I1320 WeakPolarHBondContact O-CB 3.45Å; M1316-I1320 WeakPolarHBondContact O-CG1 3.42Å; M1316-I1320 PolarHBondContact O-N 3.19Å; M1316-F1354 HydrophobicContact CB-CD1 4.45Å; M1316-F1354 HydrophobicContact CB-CE1 4.21Å |
| 1317 | E | 92.1 | Very high | 89.4 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 173.4 | -174.4 | 168 | -151.1 | 0 | 0 | 111.8 | H1313 P1321 F1354 | H1313-E1317 WeakPolarHBondContact O-CB 3.41Å; H1313-E1317 PolarHBondContact O-N 3.39Å; E1317-P1321 WeakPolarHBondContact O-CD 3.34Å; E1317-P1321 WeakPolarHBondContact O-CG 3.41Å; E1317-F1354 HydrophobicContact CB-CZ 4.42Å |
| 1318 | F | 93.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.4 | -45.5 | 171.1 | 174.5 | -106.1 | 0 | 0 | 0 | 113.1 | L1264 R1276 F1279 S1314 I1315 M1316 L1322 | L1264-F1318 HydrophobicContact CD1-CD1 3.84Å; L1264-F1318 HydrophobicContact CD1-CE1 4.39Å; L1264-F1318 HydrophobicContact CD2-CD1 3.71Å; L1264-F1318 HydrophobicContact CD2-CE1 3.71Å; L1264-F1318 HydrophobicContact CG-CD1 4.43Å; R1276-F1318 HydrophobicContact CB-CE1 4.14Å; R1276-F1318 HydrophobicContact CB-CE2 4.09Å; R1276-F1318 HydrophobicContact CB-CZ 3.58Å; R1276-F1318 HydrophobicContact CG-CD1 4.47Å; R1276-F1318 HydrophobicContact CG-CD2 4.39Å; R1276-F1318 HydrophobicContact CG-CE1 3.99Å; R1276-F1318 HydrophobicContact CG-CE2 3.89Å; R1276-F1318 HydrophobicContact CG-CZ 3.67Å; R1276-F1318 WeakPolarHBondContact O-CZ 3.39Å; F1279-F1318 HydrophobicContact CB-CE1 3.95Å; S1314-F1318 PolarHBondContact O-N 2.53Å; I1315-F1318 PolarHBondContact O-N 3.12Å; M1316-F1318 VanDerWaalsContact C-N 3.26Å; M1316-F1318 PolarHBondContact O-N 2.98Å; F1318-L1322 HydrophobicContact CD1-CD1 4.34Å; F1318-L1322 HydrophobicContact CE1-CD1 3.75Å; F1318-L1322 HydrophobicContact CE2-CD1 4.37Å; F1318-L1322 HydrophobicContact CZ-CD1 3.77Å |
| 1319 | L | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74 | -35.5 | -170.9 | -68.7 | 177.4 | 0 | 0 | 0 | 114.4 | T1261 L1264 F1279 L1289 I1296 I1315 M1316 L1322 | T1261-L1319 HydrophobicContact CG2-CD1 3.71Å; L1264-L1319 HydrophobicContact CD1-CD1 4.42Å; L1264-L1319 HydrophobicContact CD1-CD2 4.09Å; L1264-L1319 HydrophobicContact CD1-CG 4.14Å; F1279-L1319 HydrophobicContact CB-CD2 3.75Å; F1279-L1319 HydrophobicContact CD1-CD2 3.65Å; F1279-L1319 HydrophobicContact CD2-CD2 3.99Å; F1279-L1319 HydrophobicContact CE1-CD2 4.29Å; F1279-L1319 HydrophobicContact CG-CD2 3.51Å; L1289-L1319 HydrophobicContact CD1-CD2 4.33Å; I1296-L1319 HydrophobicContact CD1-CD1 4.35Å; I1296-L1319 HydrophobicContact CG2-CD1 4.41Å; I1315-L1319 HydrophobicContact CG2-CD1 3.67Å; I1315-L1319 HydrophobicContact CG2-CG 4.33Å; I1315-L1319 WeakPolarHBondContact O-CG 3.36Å; I1315-L1319 PolarHBondContact O-N 2.77Å; M1316-L1319 PolarHBondContact O-N 2.87Å; M1316-L1319 HydrophobicContact SD-CD1 4.46Å; L1319-L1322 PolarHBondContact O-N 3.26Å |
| 1320 | I | 91.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -46.8 | -175.2 | -72.6 | 172.5 | 0 | 0 | 0 | 112 | M1316 L1322 I1323 C1355 A1358 M1359 | M1316-I1320 HydrophobicContact CB-CD1 4.32Å; M1316-I1320 HydrophobicContact CE-CD1 3.64Å; M1316-I1320 HydrophobicContact CE-CG1 3.69Å; M1316-I1320 WeakPolarHBondContact O-CB 3.45Å; M1316-I1320 WeakPolarHBondContact O-CG1 3.42Å; M1316-I1320 PolarHBondContact O-N 3.19Å; I1320-L1322 PolarHBondContact O-N 2.88Å; I1320-I1323 PolarHBondContact O-N 3.48Å; I1320-C1355 HydrophobicContact CD1-CB 3.73Å; I1320-C1355 WeakPolarHBondContact CD1-O 3.49Å; I1320-A1358 HydrophobicContact CB-CB 4.41Å; I1320-A1358 HydrophobicContact CD1-CB 4.02Å; I1320-A1358 HydrophobicContact CG2-CB 4.28Å; I1320-M1359 HydrophobicContact CG2-CB 4.35Å; I1320-M1359 HydrophobicContact CG2-CG 3.48Å; I1320-M1359 VanDerWaalsContact CG2-CG 3.48Å |
| 1321 | P | 89.4 | Confident | 89.5 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.7 | 177.6 | -28.1 | 37.9 | 0 | 0 | 0 | 114.6 | E1317 I1323 | E1317-P1321 WeakPolarHBondContact O-CD 3.34Å; E1317-P1321 WeakPolarHBondContact O-CG 3.41Å; P1321-I1323 PolarHBondContact O-N 2.89Å |
| 1322 | L | 89.4 | Confident | 89.4 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.6 | 175.4 | -64.3 | 177.2 | 0 | 0 | 0 | 113.2 | F1279 L1289 F1318 L1319 I1320 V1324 | F1279-L1322 HydrophobicContact CB-CD1 4.2Å; L1289-L1322 HydrophobicContact CD2-CB 3.76Å; L1289-L1322 HydrophobicContact CD2-CD1 4.36Å; F1318-L1322 HydrophobicContact CD1-CD1 4.34Å; F1318-L1322 HydrophobicContact CE1-CD1 3.75Å; F1318-L1322 HydrophobicContact CE2-CD1 4.37Å; F1318-L1322 HydrophobicContact CZ-CD1 3.77Å; L1319-L1322 PolarHBondContact O-N 3.26Å; I1320-L1322 PolarHBondContact O-N 2.88Å; L1322-V1324 PolarHBondContact O-N 3.43Å; L1322-V1324 VanDerWaalsContact O-N 3.17Å |
| 1323 | I | 87.5 | Confident | 89.4 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | trans | -86.1 | 86 | 176.2 | -51.7 | 173.8 | 0 | 0 | 0 | 108.6 | L1289 V1293 I1320 P1321 L1328 C1329 L1332 | L1289-I1323 HydrophobicContact CD2-CG1 4.05Å; L1289-I1323 HydrophobicContact CG-CG1 4.29Å; V1293-I1323 HydrophobicContact CG2-CD1 3.84Å; I1320-I1323 PolarHBondContact O-N 3.48Å; P1321-I1323 PolarHBondContact O-N 2.89Å; I1323-L1328 HydrophobicContact CG2-CB 3.99Å; I1323-C1329 PolarHBondContact O-SG 3.47Å; I1323-L1332 HydrophobicContact CD1-CD2 3.65Å | ||
| 1324 | V | 82.2 | Confident | 89.3 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 77% | 0.77 | 25% | 0.254 | S | S | * | . | trans | -81.4 | -32.4 | -172.7 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | L1322 E1326 | L1322-V1324 PolarHBondContact O-N 3.43Å; L1322-V1324 VanDerWaalsContact O-N 3.17Å; V1324-E1326 PolarHBondContact O-N 3.37Å; V1324-E1326 VanDerWaalsContact O-N 3.09Å | ||
| 1325 | K | 84.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 53.1 Ų | 53.1 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | trans | -67 | 112.3 | -172.4 | -67.6 | 179.8 | -177.6 | 164.6 | 0 | 111.2 | G1286 R1327 L1328 C1329 | G1286-K1325 PolarHBondContact O-NZ 2.7Å; K1325-R1327 VanDerWaalsContact C-N 3.29Å; K1325-R1327 PolarHBondContact O-N 2.91Å; K1325-R1327 VanDerWaalsContact O-N 3.11Å; K1325-L1328 HydrophobicContact CB-CB 4.29Å; K1325-L1328 HydrophobicContact CB-CD1 3.96Å; K1325-L1328 HydrophobicContact CB-CG 3.94Å; K1325-L1328 HydrophobicContact CD-CD1 3.96Å; K1325-L1328 HydrophobicContact CD-CG 4.45Å; K1325-L1328 HydrophobicContact CG-CD1 4.45Å; K1325-L1328 WeakPolarHBondContact O-CA 3.36Å; K1325-L1328 WeakPolarHBondContact O-CB 3.36Å; K1325-L1328 PolarHBondContact O-N 2.92Å; K1325-C1329 PolarHBondContact O-N 2.72Å; K1325-C1329 VanDerWaalsContact O-N 3.14Å; K1325-C1329 PolarHBondContact O-SG 3.43Å | ||
| 1326 | E | 82.1 | Confident | 89.1 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -50.5 | -42.2 | -175.9 | -165.1 | -175.6 | -175.2 | 0 | 0 | 113.8 | V1324 L1328 C1329 E1330 S1362 | V1324-E1326 PolarHBondContact O-N 3.37Å; V1324-E1326 VanDerWaalsContact O-N 3.09Å; E1326-L1328 VanDerWaalsContact C-N 3.32Å; E1326-L1328 PolarHBondContact O-N 3.05Å; E1326-C1329 WeakPolarHBondContact O-CB 2.94Å; E1326-C1329 PolarHBondContact O-N 3.34Å; E1326-E1330 WeakPolarHBondContact O-CG 3.36Å; E1326-E1330 PolarHBondContact O-N 2.75Å; E1326-S1362 WeakPolarHBondContact OE1-CB 3.47Å; E1326-S1362 PolarHBondContact OE1-OG 2.71Å |
| 1327 | R | 86.1 | Confident | 89.1 | Confident | 201 Ų | 201 | 53.1 Ų | 53.1 | 76% | 0.758 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 176 | -70.1 | -175.7 | -177.9 | 165.2 | 1.2 | 113 | K1325 T1331 | K1325-R1327 VanDerWaalsContact C-N 3.29Å; K1325-R1327 PolarHBondContact O-N 2.91Å; K1325-R1327 VanDerWaalsContact O-N 3.11Å; R1327-T1331 WeakPolarHBondContact O-CG2 3.09Å; R1327-T1331 PolarHBondContact O-N 3.49Å; R1327-T1331 PolarHBondContact O-OG1 3.27Å |
| 1328 | L | 86.8 | Confident | 89 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -41.8 | 176.7 | -62.9 | -177.3 | 0 | 0 | 0 | 110.2 | N1287 Y1290 I1323 K1325 E1326 E1330 T1331 L1332 | N1287-L1328 HydrophobicContact CB-CD1 4.46Å; N1287-L1328 WeakPolarHBondContact OD1-CD1 3.33Å; Y1290-L1328 HydrophobicContact CD1-CD2 4.19Å; Y1290-L1328 HydrophobicContact CD2-CB 4.02Å; Y1290-L1328 HydrophobicContact CD2-CD2 4.42Å; Y1290-L1328 HydrophobicContact CE1-CD2 4.45Å; Y1290-L1328 HydrophobicContact CE2-CB 4.47Å; Y1290-L1328 WeakPolarHBondContact CE2-O 3.3Å; Y1290-L1328 HydrophobicContact CG-CB 4.38Å; Y1290-L1328 HydrophobicContact CG-CD1 4.46Å; Y1290-L1328 HydrophobicContact CG-CD2 4.17Å; I1323-L1328 HydrophobicContact CG2-CB 3.99Å; K1325-L1328 HydrophobicContact CB-CB 4.29Å; K1325-L1328 HydrophobicContact CB-CD1 3.96Å; K1325-L1328 HydrophobicContact CB-CG 3.94Å; K1325-L1328 HydrophobicContact CD-CD1 3.96Å; K1325-L1328 HydrophobicContact CD-CG 4.45Å; K1325-L1328 HydrophobicContact CG-CD1 4.45Å; K1325-L1328 WeakPolarHBondContact O-CA 3.36Å; K1325-L1328 WeakPolarHBondContact O-CB 3.36Å; K1325-L1328 PolarHBondContact O-N 2.92Å; E1326-L1328 VanDerWaalsContact C-N 3.32Å; E1326-L1328 PolarHBondContact O-N 3.05Å; L1328-E1330 VanDerWaalsContact C-N 3.34Å; L1328-E1330 PolarHBondContact O-N 3.37Å; L1328-T1331 PolarHBondContact O-N 3.46Å; L1328-T1331 PolarHBondContact O-OG1 3.32Å; L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 PolarHBondContact O-N 2.97Å |
| 1329 | C | 87.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | I1323 K1325 E1326 T1331 L1332 V1333 M1365 | I1323-C1329 PolarHBondContact O-SG 3.47Å; K1325-C1329 PolarHBondContact O-N 2.72Å; K1325-C1329 VanDerWaalsContact O-N 3.14Å; K1325-C1329 PolarHBondContact O-SG 3.43Å; E1326-C1329 WeakPolarHBondContact O-CB 2.94Å; E1326-C1329 PolarHBondContact O-N 3.34Å; C1329-T1331 PolarHBondContact O-N 2.91Å; C1329-L1332 WeakPolarHBondContact O-CB 3.33Å; C1329-L1332 PolarHBondContact O-N 2.71Å; C1329-V1333 VanDerWaalsContact O-CG2 3.32Å; C1329-V1333 WeakPolarHBondContact O-CG2 3.43Å; C1329-V1333 PolarHBondContact O-N 3.03Å; C1329-M1365 HydrophobicContact CB-CE 3.63Å; C1329-M1365 HydrophobicContact CB-CG 4.38Å; C1329-M1365 HydrophobicContact CB-SD 3.6Å; C1329-M1365 VanDerWaalsContact CB-SD 3.6Å |
| 1330 | E | 88.8 | Confident | 88.9 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.1 | -51 | 174.8 | -72.1 | 175.5 | -163.5 | 0 | 0 | 112 | E1326 L1328 L1332 V1333 E1334 R1364 M1365 | E1326-E1330 WeakPolarHBondContact O-CG 3.36Å; E1326-E1330 PolarHBondContact O-N 2.75Å; L1328-E1330 VanDerWaalsContact C-N 3.34Å; L1328-E1330 PolarHBondContact O-N 3.37Å; E1330-L1332 VanDerWaalsContact C-N 3.27Å; E1330-L1332 PolarHBondContact O-N 2.91Å; E1330-V1333 WeakPolarHBondContact O-CB 3.26Å; E1330-V1333 PolarHBondContact O-N 3.39Å; E1330-E1334 PolarHBondContact O-N 3.5Å; E1330-R1364 HydrophobicContact CG-CB 4.33Å; E1330-R1364 WeakPolarHBondContact OE1-CB 3.24Å; E1330-R1364 WeakPolarHBondContact OE1-CD 3.4Å; E1330-M1365 HydrophobicContact CG-CG 3.73Å |
| 1331 | T | 89.7 | Confident | 88.8 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.8 | -26.5 | 179 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | Y1290 R1327 L1328 C1329 K1335 | Y1290-T1331 WeakPolarHBondContact CE2-OG1 2.99Å; Y1290-T1331 VanDerWaalsContact OH-CB 3.29Å; Y1290-T1331 WeakPolarHBondContact OH-CB 3.37Å; Y1290-T1331 PolarHBondContact OH-OG1 3.14Å; R1327-T1331 WeakPolarHBondContact O-CG2 3.09Å; R1327-T1331 PolarHBondContact O-N 3.49Å; R1327-T1331 PolarHBondContact O-OG1 3.27Å; L1328-T1331 PolarHBondContact O-N 3.46Å; L1328-T1331 PolarHBondContact O-OG1 3.32Å; C1329-T1331 PolarHBondContact O-N 2.91Å; T1331-K1335 WeakPolarHBondContact O-CG 3.43Å; T1331-K1335 PolarHBondContact O-N 3.27Å |
| 1332 | L | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.7 | -44.1 | 175.6 | -174 | 61.1 | 0 | 0 | 0 | 110.4 | Y1290 V1293 I1323 L1328 C1329 E1330 E1334 K1335 L1336 M1359 | Y1290-L1332 HydrophobicContact CD2-CB 4.25Å; Y1290-L1332 HydrophobicContact CD2-CD1 4.45Å; Y1290-L1332 HydrophobicContact CE2-CB 3.97Å; Y1290-L1332 HydrophobicContact CE2-CD1 4.39Å; V1293-L1332 HydrophobicContact CG1-CD1 4.06Å; V1293-L1332 HydrophobicContact CG1-CD2 4.37Å; I1323-L1332 HydrophobicContact CD1-CD2 3.65Å; L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 PolarHBondContact O-N 2.97Å; C1329-L1332 WeakPolarHBondContact O-CB 3.33Å; C1329-L1332 PolarHBondContact O-N 2.71Å; E1330-L1332 VanDerWaalsContact C-N 3.27Å; E1330-L1332 PolarHBondContact O-N 2.91Å; L1332-E1334 VanDerWaalsContact C-N 3.28Å; L1332-E1334 PolarHBondContact O-N 3.42Å; L1332-K1335 PolarHBondContact O-N 3.42Å; L1332-L1336 HydrophobicContact CD1-CG 4.38Å; L1332-L1336 HydrophobicContact CG-CD1 4.15Å; L1332-L1336 HydrophobicContact CG-CG 4.38Å; L1332-L1336 WeakPolarHBondContact O-CB 3.16Å; L1332-L1336 VanDerWaalsContact O-CG 3.28Å; L1332-L1336 WeakPolarHBondContact O-CG 3.4Å; L1332-L1336 PolarHBondContact O-N 2.83Å; L1332-M1359 HydrophobicContact CD2-SD 4.29Å |
| 1333 | V | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.5 | -48.1 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | C1329 E1330 L1336 C1337 L1356 M1359 F1361 M1365 V1368 L1369 | C1329-V1333 VanDerWaalsContact O-CG2 3.32Å; C1329-V1333 WeakPolarHBondContact O-CG2 3.43Å; C1329-V1333 PolarHBondContact O-N 3.03Å; E1330-V1333 WeakPolarHBondContact O-CB 3.26Å; E1330-V1333 PolarHBondContact O-N 3.39Å; V1333-L1336 PolarHBondContact O-N 3.47Å; V1333-C1337 WeakPolarHBondContact O-CB 3.42Å; V1333-C1337 PolarHBondContact O-N 2.91Å; V1333-C1337 PolarHBondContact O-SG 3.02Å; V1333-L1356 HydrophobicContact CG1-CD2 4.37Å; V1333-M1359 HydrophobicContact CB-CE 4.35Å; V1333-M1359 HydrophobicContact CG2-CE 3.43Å; V1333-M1359 VanDerWaalsContact CG2-CE 3.43Å; V1333-M1359 HydrophobicContact CG2-SD 3.72Å; V1333-F1361 HydrophobicContact CG2-CE1 4.3Å; V1333-M1365 HydrophobicContact CG2-CB 4.45Å; V1333-M1365 HydrophobicContact CG2-CE 3.94Å; V1333-V1368 HydrophobicContact CB-CG1 4.44Å; V1333-V1368 HydrophobicContact CG1-CG1 4.15Å; V1333-L1369 HydrophobicContact CG1-CB 4.13Å; V1333-L1369 HydrophobicContact CG1-CD1 4.12Å |
| 1334 | E | 91.4 | Very high | 88.5 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.8 | -170.4 | 178.4 | -172.5 | 0 | 0 | 112.3 | E1330 L1332 L1336 C1337 A1338 V1368 | E1330-E1334 PolarHBondContact O-N 3.5Å; L1332-E1334 VanDerWaalsContact C-N 3.28Å; L1332-E1334 PolarHBondContact O-N 3.42Å; E1334-L1336 PolarHBondContact O-N 3.47Å; E1334-C1337 PolarHBondContact O-N 2.94Å; E1334-A1338 WeakPolarHBondContact O-CB 3.47Å; E1334-A1338 PolarHBondContact O-N 3.18Å; E1334-V1368 HydrophobicContact CB-CG1 3.98Å |
| 1335 | K | 89.9 | Confident | 88.8 | Confident | 86 Ų | 86 | 61.3 Ų | 61.3 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 177.2 | -77.8 | 178.2 | 174.4 | 175.1 | 0 | 112.8 | Y1290 T1331 L1332 A1338 R1339 | Y1290-K1335 VanDerWaalsContact OH-CE 3.23Å; Y1290-K1335 WeakPolarHBondContact OH-CE 3.42Å; Y1290-K1335 PolarHBondContact OH-NZ 2.8Å; T1331-K1335 WeakPolarHBondContact O-CG 3.43Å; T1331-K1335 PolarHBondContact O-N 3.27Å; L1332-K1335 PolarHBondContact O-N 3.42Å; K1335-A1338 PolarHBondContact O-N 3.24Å; K1335-R1339 WeakPolarHBondContact O-CG 3.4Å; K1335-R1339 PolarHBondContact O-N 2.81Å; K1335-R1339 VanDerWaalsContact O-N 3.08Å |
| 1336 | L | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -43 | 175.6 | -68.6 | 176.2 | 0 | 0 | 0 | 111.1 | I1297 L1332 V1333 E1334 A1338 R1339 F1340 L1352 C1355 L1356 M1359 | I1297-L1336 HydrophobicContact CD1-CD2 3.48Å; I1297-L1336 VanDerWaalsContact CD1-CD2 3.48Å; L1332-L1336 HydrophobicContact CD1-CG 4.38Å; L1332-L1336 HydrophobicContact CG-CD1 4.15Å; L1332-L1336 HydrophobicContact CG-CG 4.38Å; L1332-L1336 WeakPolarHBondContact O-CB 3.16Å; L1332-L1336 VanDerWaalsContact O-CG 3.28Å; L1332-L1336 WeakPolarHBondContact O-CG 3.4Å; L1332-L1336 PolarHBondContact O-N 2.83Å; V1333-L1336 PolarHBondContact O-N 3.47Å; E1334-L1336 PolarHBondContact O-N 3.47Å; L1336-A1338 VanDerWaalsContact C-N 3.35Å; L1336-A1338 PolarHBondContact O-N 3.35Å; L1336-R1339 WeakPolarHBondContact O-CB 3.41Å; L1336-R1339 PolarHBondContact O-N 2.91Å; L1336-R1339 VanDerWaalsContact O-N 3.14Å; L1336-F1340 WeakPolarHBondContact O-CD2 3.07Å; L1336-F1340 PolarHBondContact O-N 3.43Å; L1336-L1352 HydrophobicContact CD2-CD2 3.84Å; L1336-C1355 HydrophobicContact CD1-CB 4.19Å; L1336-L1356 HydrophobicContact CB-CD2 4.03Å; L1336-L1356 HydrophobicContact CD1-CD2 3.98Å; L1336-M1359 HydrophobicContact CD1-CE 3.82Å |
| 1337 | C | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.7 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | V1333 E1334 R1339 F1340 N1372 A1375 | V1333-C1337 WeakPolarHBondContact O-CB 3.42Å; V1333-C1337 PolarHBondContact O-N 2.91Å; V1333-C1337 PolarHBondContact O-SG 3.02Å; E1334-C1337 PolarHBondContact O-N 2.94Å; C1337-R1339 PolarHBondContact O-N 2.93Å; C1337-F1340 PolarHBondContact O-N 3.45Å; C1337-N1372 HydrophobicContact CB-CB 3.64Å; C1337-A1375 HydrophobicContact CB-CB 4.4Å; C1337-A1375 VanDerWaalsContact O-CB 3.31Å; C1337-A1375 WeakPolarHBondContact O-CB 3.4Å |
| 1338 | A | 90.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1334 K1335 L1336 F1340 R1341 | E1334-A1338 WeakPolarHBondContact O-CB 3.47Å; E1334-A1338 PolarHBondContact O-N 3.18Å; K1335-A1338 PolarHBondContact O-N 3.24Å; L1336-A1338 VanDerWaalsContact C-N 3.35Å; L1336-A1338 PolarHBondContact O-N 3.35Å; A1338-F1340 PolarHBondContact O-N 2.98Å; A1338-R1341 WeakPolarHBondContact O-CB 3.15Å; A1338-R1341 PolarHBondContact O-N 2.76Å |
| 1339 | R | 89.9 | Confident | 89.8 | Confident | 52 Ų | 52 | 51 Ų | 51 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 178.1 | -84.1 | 173 | 163.2 | -115.2 | -9.4 | 114.3 | P1294 S1298 K1335 L1336 C1337 R1341 T1342 T1343 L1352 | P1294-R1339 PolarHBondContact O-NH1 3.23Å; P1294-R1339 PolarHBondContact O-NH2 3.44Å; S1298-R1339 PolarHBondContact OG-NH1 3.47Å; S1298-R1339 PolarHBondContact OG-NH2 3.1Å; K1335-R1339 WeakPolarHBondContact O-CG 3.4Å; K1335-R1339 PolarHBondContact O-N 2.81Å; K1335-R1339 VanDerWaalsContact O-N 3.08Å; L1336-R1339 WeakPolarHBondContact O-CB 3.41Å; L1336-R1339 PolarHBondContact O-N 2.91Å; L1336-R1339 VanDerWaalsContact O-N 3.14Å; C1337-R1339 PolarHBondContact O-N 2.93Å; R1339-R1341 PolarHBondContact O-N 3.21Å; R1339-R1341 VanDerWaalsContact O-N 3.15Å; R1339-T1342 PolarHBondContact O-N 3.39Å; R1339-T1342 PolarHBondContact O-OG1 3.02Å; R1339-T1343 PolarHBondContact O-N 3.42Å; R1339-T1343 VanDerWaalsContact O-N 3.13Å; R1339-T1343 PolarHBondContact O-OG1 2.99Å; R1339-L1352 HydrophobicContact CB-CD1 4.16Å; R1339-L1352 HydrophobicContact CB-CD2 4.14Å |
| 1340 | F | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -30 | 173 | -82.4 | -84.7 | 0 | 0 | 0 | 112.8 | L1336 C1337 A1338 T1342 T1343 W1349 L1352 S1353 L1356 A1375 F1376 K1379 | L1336-F1340 WeakPolarHBondContact O-CD2 3.07Å; L1336-F1340 PolarHBondContact O-N 3.43Å; C1337-F1340 PolarHBondContact O-N 3.45Å; A1338-F1340 PolarHBondContact O-N 2.98Å; F1340-T1342 VanDerWaalsContact C-N 3.28Å; F1340-T1342 PolarHBondContact O-N 3.45Å; F1340-T1343 PolarHBondContact O-OG1 2.63Å; F1340-W1349 HydrophobicContact CD1-CB 4.5Å; F1340-W1349 HydrophobicContact CE1-CB 4.17Å; F1340-L1352 HydrophobicContact CD1-CD1 4.11Å; F1340-L1352 HydrophobicContact CD2-CB 4.28Å; F1340-L1352 HydrophobicContact CD2-CD1 4.09Å; F1340-L1352 HydrophobicContact CE1-CB 3.9Å; F1340-L1352 HydrophobicContact CE1-CD1 4.29Å; F1340-L1352 HydrophobicContact CE2-CB 3.61Å; F1340-L1352 HydrophobicContact CE2-CD1 4.27Å; F1340-L1352 HydrophobicContact CG-CD1 4.02Å; F1340-L1352 HydrophobicContact CZ-CB 3.41Å; F1340-L1352 VanDerWaalsContact CZ-CB 3.41Å; F1340-L1352 HydrophobicContact CZ-CD1 4.38Å; F1340-S1353 WeakPolarHBondContact CZ-OG 3.49Å; F1340-L1356 HydrophobicContact CE2-CD1 3.82Å; F1340-L1356 HydrophobicContact CZ-CD1 4.35Å; F1340-A1375 VanDerWaalsContact CB-O 3.32Å; F1340-A1375 WeakPolarHBondContact CB-O 3.18Å; F1340-F1376 HydrophobicContact CB-CB 4.16Å; F1340-F1376 HydrophobicContact CD1-CB 4.05Å; F1340-F1376 HydrophobicContact CD2-CB 4.06Å; F1340-F1376 HydrophobicContact CE1-CB 4.42Å; F1340-F1376 HydrophobicContact CE2-CB 4.43Å; F1340-F1376 HydrophobicContact CG-CB 3.84Å; F1340-K1379 HydrophobicContact CD1-CG 4.14Å |
| 1341 | R | 89.3 | Confident | 90.1 | Very high | 167 Ų | 167 | 52.4 Ų | 52.4 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.4 | 176.7 | -59.7 | -178.4 | 179.5 | 156.4 | 4.9 | 113 | A1338 R1339 A1375 | A1338-R1341 WeakPolarHBondContact O-CB 3.15Å; A1338-R1341 PolarHBondContact O-N 2.76Å; R1339-R1341 PolarHBondContact O-N 3.21Å; R1339-R1341 VanDerWaalsContact O-N 3.15Å; R1341-A1375 HydrophobicContact CG-CB 4.08Å |
| 1342 | T | 86.9 | Confident | 90.3 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 66% | 0.656 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -18.7 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | R1339 F1340 | R1339-T1342 PolarHBondContact O-N 3.39Å; R1339-T1342 PolarHBondContact O-OG1 3.02Å; F1340-T1342 VanDerWaalsContact C-N 3.28Å; F1340-T1342 PolarHBondContact O-N 3.45Å |
| 1343 | T | 88.1 | Confident | 90.5 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | trans | -89.4 | 137.8 | -179.2 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | R1339 F1340 Q1348 W1349 L1352 | R1339-T1343 PolarHBondContact O-N 3.42Å; R1339-T1343 VanDerWaalsContact O-N 3.13Å; R1339-T1343 PolarHBondContact O-OG1 2.99Å; F1340-T1343 PolarHBondContact O-OG1 2.63Å; T1343-Q1348 HydrophobicContact CG2-CB 3.89Å; T1343-Q1348 HydrophobicContact CG2-CG 4.44Å; T1343-W1349 PolarHBondContact O-NE1 3.21Å; T1343-W1349 VanDerWaalsContact OG1-CD1 3.25Å; T1343-W1349 PolarHBondContact OG1-NE1 3.21Å; T1343-L1352 HydrophobicContact CG2-CD1 4.03Å | ||
| 1344 | T | 85.1 | Confident | 90.5 | Very high | 118 Ų | 118 | 52.2 Ų | 52.2 | 72% | 0.724 | 25% | 0.254 | S | S | * | . | trans | -115.6 | -14.5 | -177.7 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | W1349 | T1344-W1349 VanDerWaalsContact O-CZ2 3.28Å; T1344-W1349 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 1345 | L | 88 | Confident | 90.6 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -92.7 | 135.7 | -178 | -64.8 | 169.6 | 0 | 0 | 0 | 110.8 | P1303 R1347 Q1348 W1349 | P1303-L1345 HydrophobicContact CG-CD1 3.9Å; L1345-R1347 VanDerWaalsContact C-N 3.25Å; L1345-R1347 PolarHBondContact O-N 3.46Å; L1345-Q1348 HydrophobicContact CB-CB 4.45Å; L1345-Q1348 HydrophobicContact CB-CG 4.07Å; L1345-Q1348 HydrophobicContact CD1-CG 4.48Å; L1345-Q1348 WeakPolarHBondContact O-CB 3.15Å; L1345-Q1348 PolarHBondContact O-N 3.14Å; L1345-Q1348 VanDerWaalsContact O-N 3.07Å; L1345-W1349 PolarHBondContact O-N 3.39Å |
| 1346 | E | 88.3 | Confident | 90.8 | Very high | 110 Ų | 110 | 43.2 Ų | 43.2 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.9 | -36.8 | 175.6 | -73 | 177.1 | -168.2 | 0 | 0 | 112.6 | Q1348 W1349 R1350 V1382 | E1346-Q1348 VanDerWaalsContact C-N 3.33Å; E1346-Q1348 PolarHBondContact O-N 3.34Å; E1346-W1349 HydrophobicContact CB-CE3 4.21Å; E1346-W1349 HydrophobicContact CB-CZ3 4.44Å; E1346-W1349 HydrophobicContact CG-CE3 3.72Å; E1346-W1349 HydrophobicContact CG-CH2 4.36Å; E1346-W1349 HydrophobicContact CG-CZ3 3.51Å; E1346-W1349 PolarHBondContact O-N 2.94Å; E1346-W1349 VanDerWaalsContact O-N 3.17Å; E1346-R1350 WeakPolarHBondContact O-CG 3.32Å; E1346-R1350 PolarHBondContact O-N 2.85Å; E1346-V1382 HydrophobicContact CG-CG2 4.44Å |
| 1347 | R | 89.2 | Confident | 90.9 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.4 | -50 | 172.4 | 169.9 | 63.7 | -166.3 | -87.9 | -0.5 | 111.8 | V1307 E1309 L1345 W1349 R1350 D1351 | V1307-R1347 PolarHBondContact O-NH1 2.76Å; V1307-R1347 PolarHBondContact O-NH2 3.43Å; E1309-R1347 WeakPolarHBondContact OE1-CD 3.47Å; E1309-R1347 IonicContact OE1-NE 2.67Å; L1345-R1347 VanDerWaalsContact C-N 3.25Å; L1345-R1347 PolarHBondContact O-N 3.46Å; R1347-W1349 VanDerWaalsContact C-N 3.3Å; R1347-W1349 PolarHBondContact O-N 3.26Å; R1347-R1350 PolarHBondContact O-N 2.91Å; R1347-D1351 IonicContact CZ-OD1 2.94Å; R1347-D1351 IonicContact CZ-OD2 2.79Å; R1347-D1351 VanDerWaalsContact NE-CG 3.33Å; R1347-D1351 IonicContact NE-OD1 3.38Å; R1347-D1351 PolarHBondContact NE-OD1 3.13Å; R1347-D1351 IonicContact NE-OD2 3.65Å; R1347-D1351 PolarHBondContact NE-OD2 3.41Å; R1347-D1351 IonicContact NH2-OD1 3.73Å; R1347-D1351 IonicContact NH2-OD2 2.71Å; R1347-D1351 PolarHBondContact NH2-OD2 2.88Å; R1347-D1351 PolarHBondContact O-N 3.08Å |
| 1348 | Q | 90.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -33.8 | -178.8 | -65.1 | 175.4 | -32.7 | 0 | 0 | 111.8 | T1343 L1345 E1346 L1352 | T1343-Q1348 HydrophobicContact CG2-CB 3.89Å; T1343-Q1348 HydrophobicContact CG2-CG 4.44Å; L1345-Q1348 HydrophobicContact CB-CB 4.45Å; L1345-Q1348 HydrophobicContact CB-CG 4.07Å; L1345-Q1348 HydrophobicContact CD1-CG 4.48Å; L1345-Q1348 WeakPolarHBondContact O-CB 3.15Å; L1345-Q1348 PolarHBondContact O-N 3.14Å; L1345-Q1348 VanDerWaalsContact O-N 3.07Å; E1346-Q1348 VanDerWaalsContact C-N 3.33Å; E1346-Q1348 PolarHBondContact O-N 3.34Å; Q1348-L1352 WeakPolarHBondContact O-CB 3.31Å; Q1348-L1352 WeakPolarHBondContact O-CG 3.29Å; Q1348-L1352 PolarHBondContact O-N 3.2Å |
| 1349 | W | 92.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.6 | -55.2 | -24.3 | 0 | 0 | 0 | 111.6 | F1340 T1343 T1344 L1345 E1346 R1347 S1353 K1379 V1382 V1385 | F1340-W1349 HydrophobicContact CD1-CB 4.5Å; F1340-W1349 HydrophobicContact CE1-CB 4.17Å; T1343-W1349 PolarHBondContact O-NE1 3.21Å; T1343-W1349 VanDerWaalsContact OG1-CD1 3.25Å; T1343-W1349 PolarHBondContact OG1-NE1 3.21Å; T1344-W1349 VanDerWaalsContact O-CZ2 3.28Å; T1344-W1349 WeakPolarHBondContact O-CZ2 3.27Å; L1345-W1349 PolarHBondContact O-N 3.39Å; E1346-W1349 HydrophobicContact CB-CE3 4.21Å; E1346-W1349 HydrophobicContact CB-CZ3 4.44Å; E1346-W1349 HydrophobicContact CG-CE3 3.72Å; E1346-W1349 HydrophobicContact CG-CH2 4.36Å; E1346-W1349 HydrophobicContact CG-CZ3 3.51Å; E1346-W1349 PolarHBondContact O-N 2.94Å; E1346-W1349 VanDerWaalsContact O-N 3.17Å; R1347-W1349 VanDerWaalsContact C-N 3.3Å; R1347-W1349 PolarHBondContact O-N 3.26Å; W1349-S1353 WeakPolarHBondContact O-CB 3.44Å; W1349-S1353 PolarHBondContact O-N 3.29Å; W1349-S1353 PolarHBondContact O-OG 3.41Å; W1349-K1379 HydrophobicContact CD2-CB 4.4Å; W1349-K1379 HydrophobicContact CD2-CD 3.77Å; W1349-K1379 HydrophobicContact CD2-CG 4.18Å; W1349-K1379 HydrophobicContact CE3-CB 4.46Å; W1349-K1379 HydrophobicContact CE3-CD 4Å; W1349-K1379 HydrophobicContact CG-CD 4.38Å; W1349-K1379 HydrophobicContact CG-CG 4.31Å; W1349-K1379 HydrophobicContact CH2-CD 4Å; W1349-K1379 HydrophobicContact CZ2-CD 3.73Å; W1349-K1379 HydrophobicContact CZ3-CD 4.11Å; W1349-V1382 HydrophobicContact CE3-CG2 4.05Å; W1349-V1382 HydrophobicContact CZ3-CG2 4.33Å; W1349-V1385 HydrophobicContact CB-CG2 4.06Å |
| 1350 | R | 91.7 | Very high | 90.4 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.5 | -69.5 | -171.7 | -70.5 | 143.9 | -2.2 | 111.4 | E1309 E1346 R1347 L1352 S1353 F1354 V1382 E1384 V1385 | E1309-R1350 VanDerWaalsContact CD-NH1 3.32Å; E1309-R1350 IonicContact OE1-CZ 3.85Å; E1309-R1350 IonicContact OE1-NH1 3.69Å; E1309-R1350 PolarHBondContact OE1-NH1 3.36Å; E1309-R1350 IonicContact OE1-NH2 3.64Å; E1309-R1350 PolarHBondContact OE1-NH2 3.39Å; E1309-R1350 IonicContact OE2-CZ 3.1Å; E1309-R1350 IonicContact OE2-NH1 3.28Å; E1309-R1350 PolarHBondContact OE2-NH1 2.69Å; E1309-R1350 IonicContact OE2-NH2 2.83Å; E1346-R1350 WeakPolarHBondContact O-CG 3.32Å; E1346-R1350 PolarHBondContact O-N 2.85Å; R1347-R1350 PolarHBondContact O-N 2.91Å; R1350-L1352 PolarHBondContact O-N 2.9Å; R1350-S1353 WeakPolarHBondContact O-CB 3.2Å; R1350-S1353 PolarHBondContact O-N 3.24Å; R1350-S1353 VanDerWaalsContact O-N 3.13Å; R1350-F1354 PolarHBondContact O-N 3.25Å; R1350-V1382 HydrophobicContact CG-CG1 4.31Å; R1350-E1384 HydrophobicContact CG-CB 3.99Å; R1350-V1385 HydrophobicContact CG-CG2 4.26Å |
| 1351 | D | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.2 | -72.8 | -0.3 | 0 | 0 | 0 | 112 | S1301 F1312 R1347 S1353 F1354 C1355 | S1301-D1351 WeakPolarHBondContact CA-OD2 3.42Å; S1301-D1351 WeakPolarHBondContact CB-OD2 3.43Å; F1312-D1351 HydrophobicContact CD1-CB 4.03Å; F1312-D1351 HydrophobicContact CE1-CB 3.46Å; F1312-D1351 VanDerWaalsContact CE1-CB 3.46Å; F1312-D1351 HydrophobicContact CE2-CB 4.32Å; F1312-D1351 HydrophobicContact CZ-CB 3.64Å; R1347-D1351 IonicContact CZ-OD1 2.94Å; R1347-D1351 IonicContact CZ-OD2 2.79Å; R1347-D1351 VanDerWaalsContact NE-CG 3.33Å; R1347-D1351 IonicContact NE-OD1 3.38Å; R1347-D1351 PolarHBondContact NE-OD1 3.13Å; R1347-D1351 IonicContact NE-OD2 3.65Å; R1347-D1351 PolarHBondContact NE-OD2 3.41Å; R1347-D1351 IonicContact NH2-OD1 3.73Å; R1347-D1351 IonicContact NH2-OD2 2.71Å; R1347-D1351 PolarHBondContact NH2-OD2 2.88Å; R1347-D1351 PolarHBondContact O-N 3.08Å; D1351-S1353 VanDerWaalsContact C-N 3.29Å; D1351-S1353 PolarHBondContact O-N 3.38Å; D1351-F1354 PolarHBondContact O-N 2.64Å; D1351-C1355 PolarHBondContact O-N 2.85Å; D1351-C1355 PolarHBondContact O-SG 3.05Å |
| 1352 | L | 93.4 | Very high | 90 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -37.6 | 175.8 | -74.2 | 170.8 | 0 | 0 | 0 | 112.2 | I1297 L1336 R1339 F1340 T1343 Q1348 R1350 C1355 L1356 | I1297-L1352 HydrophobicContact CG2-CD2 3.98Å; L1336-L1352 HydrophobicContact CD2-CD2 3.84Å; R1339-L1352 HydrophobicContact CB-CD1 4.16Å; R1339-L1352 HydrophobicContact CB-CD2 4.14Å; F1340-L1352 HydrophobicContact CD1-CD1 4.11Å; F1340-L1352 HydrophobicContact CD2-CB 4.28Å; F1340-L1352 HydrophobicContact CD2-CD1 4.09Å; F1340-L1352 HydrophobicContact CE1-CB 3.9Å; F1340-L1352 HydrophobicContact CE1-CD1 4.29Å; F1340-L1352 HydrophobicContact CE2-CB 3.61Å; F1340-L1352 HydrophobicContact CE2-CD1 4.27Å; F1340-L1352 HydrophobicContact CG-CD1 4.02Å; F1340-L1352 HydrophobicContact CZ-CB 3.41Å; F1340-L1352 VanDerWaalsContact CZ-CB 3.41Å; F1340-L1352 HydrophobicContact CZ-CD1 4.38Å; T1343-L1352 HydrophobicContact CG2-CD1 4.03Å; Q1348-L1352 WeakPolarHBondContact O-CB 3.31Å; Q1348-L1352 WeakPolarHBondContact O-CG 3.29Å; Q1348-L1352 PolarHBondContact O-N 3.2Å; R1350-L1352 PolarHBondContact O-N 2.9Å; L1352-C1355 PolarHBondContact O-N 3.21Å; L1352-L1356 WeakPolarHBondContact O-CG 3.13Å; L1352-L1356 PolarHBondContact O-N 3.01Å |
| 1353 | S | 94 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.3 | -38.3 | 178.7 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | F1340 W1349 R1350 D1351 L1356 N1357 V1385 | F1340-S1353 WeakPolarHBondContact CZ-OG 3.49Å; W1349-S1353 WeakPolarHBondContact O-CB 3.44Å; W1349-S1353 PolarHBondContact O-N 3.29Å; W1349-S1353 PolarHBondContact O-OG 3.41Å; R1350-S1353 WeakPolarHBondContact O-CB 3.2Å; R1350-S1353 PolarHBondContact O-N 3.24Å; R1350-S1353 VanDerWaalsContact O-N 3.13Å; D1351-S1353 VanDerWaalsContact C-N 3.29Å; D1351-S1353 PolarHBondContact O-N 3.38Å; S1353-L1356 PolarHBondContact O-N 3.49Å; S1353-N1357 PolarHBondContact O-N 2.93Å; S1353-V1385 WeakPolarHBondContact OG-CG1 3.44Å |
| 1354 | F | 93.5 | Very high | 89.7 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 19% | 0.193 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 171.9 | 179.6 | -91.7 | 0 | 0 | 0 | 111.4 | H1313 M1316 E1317 R1350 D1351 L1356 N1357 A1358 | H1313-F1354 HydrophobicContact CB-CD1 4.37Å; H1313-F1354 HydrophobicContact CB-CE1 3.77Å; H1313-F1354 HydrophobicContact CB-CE2 3.94Å; H1313-F1354 HydrophobicContact CB-CZ 3.53Å; H1313-F1354 AromaticContact CD2-CD1 3.32Å; H1313-F1354 WeakPolarHBondContact CD2-CD1 3.4Å; H1313-F1354 AromaticContact CD2-CD2 3.49Å; H1313-F1354 VanDerWaalsContact CD2-CD2 3.49Å; H1313-F1354 WeakPolarHBondContact CD2-CD2 3.45Å; H1313-F1354 AromaticContact CD2-CE1 3.66Å; H1313-F1354 AromaticContact CD2-CE2 3.8Å; H1313-F1354 AromaticContact CD2-CG 3.23Å; H1313-F1354 WeakPolarHBondContact CD2-CG 3.29Å; H1313-F1354 AromaticContact CD2-CZ 3.88Å; H1313-F1354 AromaticContact CG-CD2 3.84Å; H1313-F1354 AromaticContact CG-CE1 3.91Å; H1313-F1354 AromaticContact CG-CE2 3.7Å; H1313-F1354 AromaticContact CG-CZ 3.74Å; H1313-F1354 AromaticContact NE2-CD2 3.63Å; H1313-F1354 AromaticContact NE2-CG 3.51Å; M1316-F1354 HydrophobicContact CB-CD1 4.45Å; M1316-F1354 HydrophobicContact CB-CE1 4.21Å; E1317-F1354 HydrophobicContact CB-CZ 4.42Å; R1350-F1354 PolarHBondContact O-N 3.25Å; D1351-F1354 PolarHBondContact O-N 2.64Å; F1354-L1356 VanDerWaalsContact C-N 3.27Å; F1354-L1356 PolarHBondContact O-N 2.88Å; F1354-N1357 PolarHBondContact O-N 3.46Å; F1354-A1358 PolarHBondContact O-N 2.63Å |
| 1355 | C | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -38.3 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | I1297 I1320 L1336 D1351 L1352 | I1297-C1355 HydrophobicContact CD1-CB 4.44Å; I1320-C1355 HydrophobicContact CD1-CB 3.73Å; I1320-C1355 WeakPolarHBondContact CD1-O 3.49Å; L1336-C1355 HydrophobicContact CD1-CB 4.19Å; D1351-C1355 PolarHBondContact O-N 2.85Å; D1351-C1355 PolarHBondContact O-SG 3.05Å; L1352-C1355 PolarHBondContact O-N 3.21Å |
| 1356 | L | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 172.1 | -70.7 | 175.9 | 0 | 0 | 0 | 110.7 | V1333 L1336 F1340 L1352 S1353 F1354 A1358 M1359 F1361 L1369 F1389 I1392 | V1333-L1356 HydrophobicContact CG1-CD2 4.37Å; L1336-L1356 HydrophobicContact CB-CD2 4.03Å; L1336-L1356 HydrophobicContact CD1-CD2 3.98Å; F1340-L1356 HydrophobicContact CE2-CD1 3.82Å; F1340-L1356 HydrophobicContact CZ-CD1 4.35Å; L1352-L1356 WeakPolarHBondContact O-CG 3.13Å; L1352-L1356 PolarHBondContact O-N 3.01Å; S1353-L1356 PolarHBondContact O-N 3.49Å; F1354-L1356 VanDerWaalsContact C-N 3.27Å; F1354-L1356 PolarHBondContact O-N 2.88Å; L1356-A1358 VanDerWaalsContact C-N 3.31Å; L1356-A1358 PolarHBondContact O-N 3.29Å; L1356-M1359 HydrophobicContact CB-CE 4.42Å; L1356-M1359 HydrophobicContact CD2-CE 3.41Å; L1356-M1359 VanDerWaalsContact CD2-CE 3.41Å; L1356-M1359 HydrophobicContact CG-CE 4.4Å; L1356-M1359 WeakPolarHBondContact O-CB 3.38Å; L1356-M1359 PolarHBondContact O-N 3.42Å; L1356-F1361 WeakPolarHBondContact O-CE2 3.27Å; L1356-L1369 HydrophobicContact CD1-CD1 4.16Å; L1356-L1369 HydrophobicContact CD2-CD1 4.46Å; L1356-F1389 HydrophobicContact CD1-CE1 3.97Å; L1356-F1389 HydrophobicContact CD1-CE2 4.48Å; L1356-F1389 HydrophobicContact CD1-CZ 3.59Å; L1356-I1392 HydrophobicContact CB-CD1 3.88Å |
| 1357 | N | 92.7 | Very high | 89.9 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.2 | -27.2 | -176.7 | -172.4 | 54.1 | 0 | 0 | 0 | 114.5 | S1353 F1354 M1359 A1388 S1391 I1392 | S1353-N1357 PolarHBondContact O-N 2.93Å; F1354-N1357 PolarHBondContact O-N 3.46Å; N1357-M1359 PolarHBondContact O-N 2.83Å; N1357-A1388 HydrophobicContact CB-CB 4.3Å; N1357-S1391 WeakPolarHBondContact OD1-CB 3.39Å; N1357-S1391 PolarHBondContact OD1-OG 3.35Å; N1357-I1392 HydrophobicContact CB-CD1 4.19Å; N1357-I1392 HydrophobicContact CB-CG1 3.99Å; N1357-I1392 WeakPolarHBondContact OD1-CG1 3.35Å |
| 1358 | A | 90 | Very high | 89.9 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 24% | 0.24 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1320 F1354 L1356 | I1320-A1358 HydrophobicContact CB-CB 4.41Å; I1320-A1358 HydrophobicContact CD1-CB 4.02Å; I1320-A1358 HydrophobicContact CG2-CB 4.28Å; F1354-A1358 PolarHBondContact O-N 2.63Å; L1356-A1358 VanDerWaalsContact C-N 3.31Å; L1356-A1358 PolarHBondContact O-N 3.29Å |
| 1359 | M | 88.3 | Confident | 90.1 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -82.5 | 140.4 | -178.4 | -77.3 | -168.9 | -79.1 | 0 | 0 | 113.2 | I1320 L1332 V1333 L1336 L1356 N1357 F1361 M1365 | I1320-M1359 HydrophobicContact CG2-CB 4.35Å; I1320-M1359 HydrophobicContact CG2-CG 3.48Å; I1320-M1359 VanDerWaalsContact CG2-CG 3.48Å; L1332-M1359 HydrophobicContact CD2-SD 4.29Å; V1333-M1359 HydrophobicContact CB-CE 4.35Å; V1333-M1359 HydrophobicContact CG2-CE 3.43Å; V1333-M1359 VanDerWaalsContact CG2-CE 3.43Å; V1333-M1359 HydrophobicContact CG2-SD 3.72Å; L1336-M1359 HydrophobicContact CD1-CE 3.82Å; L1356-M1359 HydrophobicContact CB-CE 4.42Å; L1356-M1359 HydrophobicContact CD2-CE 3.41Å; L1356-M1359 VanDerWaalsContact CD2-CE 3.41Å; L1356-M1359 HydrophobicContact CG-CE 4.4Å; L1356-M1359 WeakPolarHBondContact O-CB 3.38Å; L1356-M1359 PolarHBondContact O-N 3.42Å; N1357-M1359 PolarHBondContact O-N 2.83Å; M1359-F1361 HydrophobicContact CB-CD2 4.43Å; M1359-F1361 HydrophobicContact CB-CE2 4.21Å; M1359-F1361 VanDerWaalsContact O-CD2 3.28Å; M1359-F1361 WeakPolarHBondContact O-CD2 3.28Å; M1359-F1361 PolarHBondContact O-N 3.29Å; M1359-M1365 HydrophobicContact CB-CE 3.97Å; M1359-M1365 HydrophobicContact SD-CE 4.08Å |
| 1360 | P | 84.9 | Confident | 90 | Very high | 88 Ų | 88 | 35.1 Ų | 35.1 | 57% | 0.571 | 17% | 0.169 | S | C | * | . | trans | -76.8 | 86.6 | 173.2 | 31.6 | -33.6 | 0 | 0 | 0 | 110.3 | S1362 | P1360-S1362 PolarHBondContact O-N 2.94Š| ||
| 1361 | F | 87.6 | Confident | 90 | Very high | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | trans | -62.8 | 121.4 | -175.5 | -81.9 | -89.2 | 0 | 0 | 0 | 113.3 | V1333 L1356 M1359 M1365 L1369 I1392 V1396 | V1333-F1361 HydrophobicContact CG2-CE1 4.3Å; L1356-F1361 WeakPolarHBondContact O-CE2 3.27Å; M1359-F1361 HydrophobicContact CB-CD2 4.43Å; M1359-F1361 HydrophobicContact CB-CE2 4.21Å; M1359-F1361 VanDerWaalsContact O-CD2 3.28Å; M1359-F1361 WeakPolarHBondContact O-CD2 3.28Å; M1359-F1361 PolarHBondContact O-N 3.29Å; F1361-M1365 HydrophobicContact CD1-CB 3.85Å; F1361-M1365 HydrophobicContact CD1-CE 4.36Å; F1361-M1365 HydrophobicContact CE1-CB 4.44Å; F1361-L1369 HydrophobicContact CE1-CB 4.26Å; F1361-L1369 HydrophobicContact CE1-CD2 3.72Å; F1361-L1369 HydrophobicContact CE1-CG 4.48Å; F1361-L1369 HydrophobicContact CZ-CD2 3.88Å; F1361-I1392 HydrophobicContact CD1-CG2 4.44Å; F1361-I1392 HydrophobicContact CD2-CG1 4.44Å; F1361-I1392 HydrophobicContact CD2-CG2 3.64Å; F1361-I1392 HydrophobicContact CE1-CG2 4.32Å; F1361-I1392 HydrophobicContact CE2-CB 4.25Å; F1361-I1392 HydrophobicContact CE2-CD1 3.8Å; F1361-I1392 HydrophobicContact CE2-CG1 3.76Å; F1361-I1392 HydrophobicContact CE2-CG2 3.44Å; F1361-I1392 VanDerWaalsContact CE2-CG2 3.44Å; F1361-I1392 HydrophobicContact CG-CG2 4.13Å; F1361-I1392 HydrophobicContact CZ-CD1 4.02Å; F1361-I1392 HydrophobicContact CZ-CG1 4.43Å; F1361-I1392 HydrophobicContact CZ-CG2 3.84Å; F1361-V1396 HydrophobicContact CB-CG2 3.54Å; F1361-V1396 HydrophobicContact CG-CG2 4.23Å | ||
| 1362 | S | 85.3 | Confident | 90 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | trans | -90 | 166.3 | 163.1 | 82.6 | 0 | 0 | 0 | 0 | 112.1 | E1326 P1360 R1364 M1365 M1366 | E1326-S1362 WeakPolarHBondContact OE1-CB 3.47Å; E1326-S1362 PolarHBondContact OE1-OG 2.71Å; P1360-S1362 PolarHBondContact O-N 2.94Å; S1362-R1364 PolarHBondContact O-N 3.24Å; S1362-R1364 VanDerWaalsContact O-N 3.09Å; S1362-R1364 PolarHBondContact OG-N 3.48Å; S1362-M1365 PolarHBondContact O-N 2.87Å; S1362-M1365 VanDerWaalsContact O-N 3.14Å; S1362-M1365 PolarHBondContact OG-N 3.43Å; S1362-M1366 PolarHBondContact O-N 2.91Å | ||
| 1363 | D | 83.9 | Confident | 90 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -49.4 | -36.2 | 173.2 | -78.5 | -45.5 | 0 | 0 | 0 | 112.7 | R1367 I1400 N1404 | D1363-R1367 PolarHBondContact O-N 2.83Å; D1363-I1400 WeakPolarHBondContact OD1-CG1 3.42Å; D1363-N1404 PolarHBondContact OD1-ND2 2.84Å; D1363-N1404 PolarHBondContact OD2-ND2 3.3Å |
| 1364 | R | 85.6 | Confident | 89.9 | Confident | 124 Ų | 124 | 44.2 Ų | 44.2 | 47% | 0.468 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.3 | -43 | -178.3 | -63.9 | -179.7 | 177.9 | 167.6 | 3.3 | 111.9 | E1330 S1362 M1366 R1367 V1368 | E1330-R1364 HydrophobicContact CG-CB 4.33Å; E1330-R1364 WeakPolarHBondContact OE1-CB 3.24Å; E1330-R1364 WeakPolarHBondContact OE1-CD 3.4Å; S1362-R1364 PolarHBondContact O-N 3.24Å; S1362-R1364 VanDerWaalsContact O-N 3.09Å; S1362-R1364 PolarHBondContact OG-N 3.48Å; R1364-M1366 VanDerWaalsContact C-N 3.27Å; R1364-M1366 PolarHBondContact O-N 3.42Å; R1364-R1367 WeakPolarHBondContact O-CB 3.46Å; R1364-R1367 PolarHBondContact O-N 3.31Å; R1364-R1367 VanDerWaalsContact O-N 3.16Å; R1364-V1368 PolarHBondContact O-N 3.28Å; R1364-V1368 VanDerWaalsContact O-N 3.15Å |
| 1365 | M | 89.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.9 | -65.6 | 169.3 | 61.8 | 0 | 0 | 111.3 | C1329 E1330 V1333 M1359 F1361 S1362 R1367 V1368 L1369 | C1329-M1365 HydrophobicContact CB-CE 3.63Å; C1329-M1365 HydrophobicContact CB-CG 4.38Å; C1329-M1365 HydrophobicContact CB-SD 3.6Å; C1329-M1365 VanDerWaalsContact CB-SD 3.6Å; E1330-M1365 HydrophobicContact CG-CG 3.73Å; V1333-M1365 HydrophobicContact CG2-CB 4.45Å; V1333-M1365 HydrophobicContact CG2-CE 3.94Å; M1359-M1365 HydrophobicContact CB-CE 3.97Å; M1359-M1365 HydrophobicContact SD-CE 4.08Å; F1361-M1365 HydrophobicContact CD1-CB 3.85Å; F1361-M1365 HydrophobicContact CD1-CE 4.36Å; F1361-M1365 HydrophobicContact CE1-CB 4.44Å; S1362-M1365 PolarHBondContact O-N 2.87Å; S1362-M1365 VanDerWaalsContact O-N 3.14Å; S1362-M1365 PolarHBondContact OG-N 3.43Å; M1365-R1367 VanDerWaalsContact C-N 3.33Å; M1365-R1367 PolarHBondContact O-N 3.24Å; M1365-V1368 PolarHBondContact O-N 3.49Å; M1365-L1369 PolarHBondContact O-N 2.97Å |
| 1366 | M | 88 | Confident | 89.7 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.3 | -170.6 | 57.2 | -116.8 | 0 | 0 | 111.1 | S1362 R1364 V1368 L1369 Y1370 V1396 L1408 F1411 | S1362-M1366 PolarHBondContact O-N 2.91Å; R1364-M1366 VanDerWaalsContact C-N 3.27Å; R1364-M1366 PolarHBondContact O-N 3.42Å; M1366-V1368 VanDerWaalsContact C-N 3.33Å; M1366-V1368 PolarHBondContact O-N 2.83Å; M1366-L1369 HydrophobicContact CE-CB 4.12Å; M1366-L1369 HydrophobicContact CE-CD2 3.98Å; M1366-L1369 HydrophobicContact CE-CG 4.34Å; M1366-L1369 PolarHBondContact O-N 3.02Å; M1366-L1369 HydrophobicContact SD-CD2 4.3Å; M1366-Y1370 PolarHBondContact O-N 2.6Å; M1366-V1396 HydrophobicContact CG-CG1 4.49Å; M1366-L1408 HydrophobicContact CG-CD1 4.18Å; M1366-L1408 HydrophobicContact SD-CD1 4.05Å; M1366-F1411 HydrophobicContact CE-CD1 3.17Å; M1366-F1411 HydrophobicContact CE-CD2 4.46Å; M1366-F1411 HydrophobicContact CE-CE1 3.21Å; M1366-F1411 HydrophobicContact CE-CE2 4.45Å; M1366-F1411 HydrophobicContact CE-CG 3.83Å; M1366-F1411 HydrophobicContact CE-CZ 3.87Å; M1366-F1411 HydrophobicContact SD-CD1 4.47Å; M1366-F1411 HydrophobicContact SD-CE1 4.49Å |
| 1367 | R | 87.1 | Confident | 89.6 | Confident | 119 Ų | 119 | 42.8 Ų | 42.8 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 174.2 | -176.1 | 179.5 | 63.7 | -110.9 | -4.3 | 112.1 | D1363 R1364 M1365 L1369 Y1370 E1371 | D1363-R1367 PolarHBondContact O-N 2.83Å; R1364-R1367 WeakPolarHBondContact O-CB 3.46Å; R1364-R1367 PolarHBondContact O-N 3.31Å; R1364-R1367 VanDerWaalsContact O-N 3.16Å; M1365-R1367 VanDerWaalsContact C-N 3.33Å; M1365-R1367 PolarHBondContact O-N 3.24Å; R1367-L1369 PolarHBondContact O-N 3Å; R1367-Y1370 PolarHBondContact O-N 2.78Å; R1367-E1371 HydrophobicContact CG-CG 4.5Å; R1367-E1371 WeakPolarHBondContact CG-OE1 3.26Å; R1367-E1371 WeakPolarHBondContact O-CG 3.4Å; R1367-E1371 PolarHBondContact O-N 3.48Å |
| 1368 | V | 90.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | V1333 E1334 R1364 M1365 M1366 Y1370 E1371 N1372 | V1333-V1368 HydrophobicContact CB-CG1 4.44Å; V1333-V1368 HydrophobicContact CG1-CG1 4.15Å; E1334-V1368 HydrophobicContact CB-CG1 3.98Å; R1364-V1368 PolarHBondContact O-N 3.28Å; R1364-V1368 VanDerWaalsContact O-N 3.15Å; M1365-V1368 PolarHBondContact O-N 3.49Å; M1366-V1368 VanDerWaalsContact C-N 3.33Å; M1366-V1368 PolarHBondContact O-N 2.83Å; V1368-Y1370 VanDerWaalsContact C-N 3.33Å; V1368-Y1370 PolarHBondContact O-N 3.41Å; V1368-E1371 PolarHBondContact O-N 3.47Å; V1368-N1372 PolarHBondContact O-N 2.86Å; V1368-N1372 PolarHBondContact O-ND2 3.39Å |
| 1369 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 175.9 | -173.6 | 62.5 | 0 | 0 | 0 | 111.4 | V1333 L1356 F1361 M1365 M1366 R1367 N1372 L1373 F1376 F1389 I1392 F1411 | V1333-L1369 HydrophobicContact CG1-CB 4.13Å; V1333-L1369 HydrophobicContact CG1-CD1 4.12Å; L1356-L1369 HydrophobicContact CD1-CD1 4.16Å; L1356-L1369 HydrophobicContact CD2-CD1 4.46Å; F1361-L1369 HydrophobicContact CE1-CB 4.26Å; F1361-L1369 HydrophobicContact CE1-CD2 3.72Å; F1361-L1369 HydrophobicContact CE1-CG 4.48Å; F1361-L1369 HydrophobicContact CZ-CD2 3.88Å; M1365-L1369 PolarHBondContact O-N 2.97Å; M1366-L1369 HydrophobicContact CE-CB 4.12Å; M1366-L1369 HydrophobicContact CE-CD2 3.98Å; M1366-L1369 HydrophobicContact CE-CG 4.34Å; M1366-L1369 PolarHBondContact O-N 3.02Å; M1366-L1369 HydrophobicContact SD-CD2 4.3Å; R1367-L1369 PolarHBondContact O-N 3Å; L1369-N1372 PolarHBondContact O-N 3.24Å; L1369-L1373 PolarHBondContact O-N 3.02Å; L1369-F1376 HydrophobicContact CD1-CE1 3.99Å; L1369-F1376 HydrophobicContact CD1-CZ 4.11Å; L1369-F1376 HydrophobicContact CG-CZ 4.44Å; L1369-F1389 HydrophobicContact CD1-CE1 3.83Å; L1369-F1389 HydrophobicContact CD2-CD1 4.33Å; L1369-F1389 HydrophobicContact CD2-CE1 4.2Å; L1369-F1389 HydrophobicContact CG-CE1 4.31Å; L1369-I1392 HydrophobicContact CD2-CG2 4.22Å; L1369-F1411 HydrophobicContact CD2-CE1 4.32Å; L1369-F1411 HydrophobicContact CD2-CZ 4.28Å; L1369-F1411 HydrophobicContact CG-CZ 4.21Å |
| 1370 | Y | 91 | Very high | 89.7 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 179.3 | -179.9 | -150.6 | 0 | 0 | 0 | 112.7 | M1366 R1367 V1368 N1372 L1373 E1410 F1411 K1414 | M1366-Y1370 PolarHBondContact O-N 2.6Å; R1367-Y1370 PolarHBondContact O-N 2.78Å; V1368-Y1370 VanDerWaalsContact C-N 3.33Å; V1368-Y1370 PolarHBondContact O-N 3.41Å; Y1370-N1372 PolarHBondContact O-N 3.39Å; Y1370-L1373 HydrophobicContact CE2-CD2 4.39Å; Y1370-L1373 VanDerWaalsContact O-CB 3.24Å; Y1370-L1373 WeakPolarHBondContact O-CB 3.37Å; Y1370-L1373 PolarHBondContact O-N 3.33Å; Y1370-L1373 VanDerWaalsContact O-N 3.1Å; Y1370-E1410 PolarHBondContact OH-OE1 3.01Å; Y1370-F1411 HydrophobicContact CD2-CB 4.19Å; Y1370-F1411 AromaticContact CD2-CD2 3.18Å; Y1370-F1411 HydrophobicContact CD2-CD2 3.18Å; Y1370-F1411 AromaticContact CD2-CE2 3.81Å; Y1370-F1411 HydrophobicContact CD2-CE2 3.81Å; Y1370-F1411 HydrophobicContact CD2-CG 4.04Å; Y1370-F1411 HydrophobicContact CE2-CB 4.37Å; Y1370-F1411 AromaticContact CE2-CD2 3.79Å; Y1370-F1411 HydrophobicContact CE2-CD2 3.79Å; Y1370-F1411 HydrophobicContact CG-CB 4.36Å; Y1370-F1411 AromaticContact CG-CD2 3.81Å; Y1370-F1411 HydrophobicContact CG-CD2 3.81Å; Y1370-F1411 HydrophobicContact CG-CE2 4.43Å; Y1370-F1411 HydrophobicContact CG-CG 4.33Å; Y1370-K1414 HydrophobicContact CE2-CD 3.84Å; Y1370-K1414 PolarHBondContact OH-NZ 3.1Å |
| 1371 | E | 91.7 | Very high | 89.9 | Confident | 129 Ų | 129 | 41.8 Ų | 41.8 | 60% | 0.603 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.5 | -29 | 177.2 | -73.1 | 172.5 | -172.6 | 0 | 0 | 112.3 | R1367 V1368 | R1367-E1371 HydrophobicContact CG-CG 4.5Å; R1367-E1371 WeakPolarHBondContact CG-OE1 3.26Å; R1367-E1371 WeakPolarHBondContact O-CG 3.4Å; R1367-E1371 PolarHBondContact O-N 3.48Å; V1368-E1371 PolarHBondContact O-N 3.47Å |
| 1372 | N | 92.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.8 | 178.3 | -78.1 | -78.1 | 0 | 0 | 0 | 114.9 | C1337 V1368 L1369 Y1370 P1374 A1375 F1376 | C1337-N1372 HydrophobicContact CB-CB 3.64Å; V1368-N1372 PolarHBondContact O-N 2.86Å; V1368-N1372 PolarHBondContact O-ND2 3.39Å; L1369-N1372 PolarHBondContact O-N 3.24Å; Y1370-N1372 PolarHBondContact O-N 3.39Å; N1372-P1374 VanDerWaalsContact C-N 3.3Å; N1372-P1374 VanDerWaalsContact O-N 3.12Å; N1372-A1375 WeakPolarHBondContact O-CB 3.29Å; N1372-A1375 PolarHBondContact O-N 3.27Å; N1372-F1376 WeakPolarHBondContact O-CE1 3.28Å |
| 1373 | L | 92.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -45.4 | -42.9 | 178.1 | 178.3 | 63.2 | 0 | 0 | 0 | 114.6 | L1369 Y1370 A1375 F1376 A1377 L1380 F1411 K1414 V1415 F1418 | L1369-L1373 PolarHBondContact O-N 3.02Å; Y1370-L1373 HydrophobicContact CE2-CD2 4.39Å; Y1370-L1373 VanDerWaalsContact O-CB 3.24Å; Y1370-L1373 WeakPolarHBondContact O-CB 3.37Å; Y1370-L1373 PolarHBondContact O-N 3.33Å; Y1370-L1373 VanDerWaalsContact O-N 3.1Å; L1373-A1375 PolarHBondContact O-N 3.44Å; L1373-F1376 HydrophobicContact CB-CZ 4.31Å; L1373-F1376 HydrophobicContact CD1-CD2 4.29Å; L1373-F1376 HydrophobicContact CD1-CE2 3.51Å; L1373-F1376 HydrophobicContact CD1-CZ 3.83Å; L1373-F1376 PolarHBondContact O-N 3.2Å; L1373-A1377 WeakPolarHBondContact O-CB 3.45Å; L1373-A1377 PolarHBondContact O-N 2.97Å; L1373-L1380 HydrophobicContact CD1-CD1 4.35Å; L1373-F1411 HydrophobicContact CB-CE2 4.47Å; L1373-F1411 HydrophobicContact CD1-CE2 4.08Å; L1373-F1411 HydrophobicContact CD2-CE2 4.47Å; L1373-K1414 HydrophobicContact CD2-CB 3.97Å; L1373-K1414 HydrophobicContact CD2-CD 4.34Å; L1373-V1415 HydrophobicContact CD1-CG2 4.29Å; L1373-F1418 HydrophobicContact CD1-CD2 4.34Å; L1373-F1418 HydrophobicContact CD2-CD2 4.07Å; L1373-F1418 HydrophobicContact CD2-CE2 3.72Å; L1373-F1418 HydrophobicContact CG-CD2 4.36Å; L1373-F1418 HydrophobicContact CG-CE2 4.16Å |
| 1374 | P | 91.8 | Very high | 90.7 | Very high | 99 Ų | 99 | 47 Ų | 47 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -61.2 | -15.9 | 178 | -24 | 35.1 | 0 | 0 | 0 | 115.2 | N1372 | N1372-P1374 VanDerWaalsContact C-N 3.3Å; N1372-P1374 VanDerWaalsContact O-N 3.12Å |
| 1375 | A | 91.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -77.9 | -24 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1337 F1340 R1341 N1372 L1373 | C1337-A1375 HydrophobicContact CB-CB 4.4Å; C1337-A1375 VanDerWaalsContact O-CB 3.31Å; C1337-A1375 WeakPolarHBondContact O-CB 3.4Å; F1340-A1375 VanDerWaalsContact CB-O 3.32Å; F1340-A1375 WeakPolarHBondContact CB-O 3.18Å; R1341-A1375 HydrophobicContact CG-CB 4.08Å; N1372-A1375 WeakPolarHBondContact O-CB 3.29Å; N1372-A1375 PolarHBondContact O-N 3.27Å; L1373-A1375 PolarHBondContact O-N 3.44Å |
| 1376 | F | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -1.8 | -178.7 | 57.5 | -96.8 | 0 | 0 | 0 | 113.7 | F1340 L1369 N1372 L1373 D1378 K1379 L1380 F1389 F1411 | F1340-F1376 HydrophobicContact CB-CB 4.16Å; F1340-F1376 HydrophobicContact CD1-CB 4.05Å; F1340-F1376 HydrophobicContact CD2-CB 4.06Å; F1340-F1376 HydrophobicContact CE1-CB 4.42Å; F1340-F1376 HydrophobicContact CE2-CB 4.43Å; F1340-F1376 HydrophobicContact CG-CB 3.84Å; L1369-F1376 HydrophobicContact CD1-CE1 3.99Å; L1369-F1376 HydrophobicContact CD1-CZ 4.11Å; L1369-F1376 HydrophobicContact CG-CZ 4.44Å; N1372-F1376 WeakPolarHBondContact O-CE1 3.28Å; L1373-F1376 HydrophobicContact CB-CZ 4.31Å; L1373-F1376 HydrophobicContact CD1-CD2 4.29Å; L1373-F1376 HydrophobicContact CD1-CE2 3.51Å; L1373-F1376 HydrophobicContact CD1-CZ 3.83Å; L1373-F1376 PolarHBondContact O-N 3.2Å; F1376-D1378 VanDerWaalsContact C-N 3.27Å; F1376-D1378 PolarHBondContact O-N 3.05Å; F1376-K1379 WeakPolarHBondContact O-CB 3.24Å; F1376-K1379 PolarHBondContact O-N 2.76Å; F1376-L1380 HydrophobicContact CD2-CD1 4.42Å; F1376-L1380 HydrophobicContact CD2-CD2 4.32Å; F1376-L1380 HydrophobicContact CD2-CG 4.31Å; F1376-L1380 PolarHBondContact O-N 3.09Å; F1376-F1389 HydrophobicContact CD1-CZ 4.15Å; F1376-F1389 AromaticContact CD2-CE1 3.85Å; F1376-F1389 HydrophobicContact CD2-CE1 3.85Å; F1376-F1389 AromaticContact CD2-CE2 3.84Å; F1376-F1389 HydrophobicContact CD2-CE2 3.84Å; F1376-F1389 AromaticContact CD2-CZ 3.4Å; F1376-F1389 HydrophobicContact CD2-CZ 3.4Å; F1376-F1389 VanDerWaalsContact CD2-CZ 3.4Å; F1376-F1389 HydrophobicContact CE1-CE1 4.12Å; F1376-F1389 HydrophobicContact CE1-CZ 4.19Å; F1376-F1389 AromaticContact CE2-CD1 3.98Å; F1376-F1389 HydrophobicContact CE2-CD1 3.98Å; F1376-F1389 AromaticContact CE2-CE1 3.34Å; F1376-F1389 HydrophobicContact CE2-CE1 3.34Å; F1376-F1389 HydrophobicContact CE2-CE2 4.12Å; F1376-F1389 AromaticContact CE2-CZ 3.44Å; F1376-F1389 HydrophobicContact CE2-CZ 3.44Å; F1376-F1389 VanDerWaalsContact CE2-CZ 3.44Å; F1376-F1389 HydrophobicContact CG-CE1 4.42Å; F1376-F1389 HydrophobicContact CG-CE2 4.39Å; F1376-F1389 AromaticContact CG-CZ 3.77Å; F1376-F1389 HydrophobicContact CG-CZ 3.77Å; F1376-F1389 HydrophobicContact CZ-CD1 4.32Å; F1376-F1389 AromaticContact CZ-CE1 3.49Å; F1376-F1389 HydrophobicContact CZ-CE1 3.49Å; F1376-F1389 VanDerWaalsContact CZ-CE1 3.49Å; F1376-F1389 AromaticContact CZ-CZ 3.85Å; F1376-F1389 HydrophobicContact CZ-CZ 3.85Å; F1376-F1411 HydrophobicContact CZ-CZ 4.4Å |
| 1377 | A | 90.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1373 K1379 F1418 | L1373-A1377 WeakPolarHBondContact O-CB 3.45Å; L1373-A1377 PolarHBondContact O-N 2.97Å; A1377-K1379 VanDerWaalsContact C-N 3.27Å; A1377-K1379 PolarHBondContact O-N 3.43Å; A1377-F1418 HydrophobicContact CB-CD1 3.94Å; A1377-F1418 HydrophobicContact CB-CD2 4.29Å; A1377-F1418 HydrophobicContact CB-CE1 4.08Å; A1377-F1418 HydrophobicContact CB-CE2 4.45Å; A1377-F1418 HydrophobicContact CB-CG 4.06Å; A1377-F1418 HydrophobicContact CB-CZ 4.35Å |
| 1378 | D | 88.9 | Confident | 91.9 | Very high | 100 Ų | 100 | 39.3 Ų | 39.3 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -77 | -11.5 | 177.9 | 68.4 | -45.5 | 0 | 0 | 0 | 113.5 | F1376 | F1376-D1378 VanDerWaalsContact C-N 3.27Å; F1376-D1378 PolarHBondContact O-N 3.05Å |
| 1379 | K | 90.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -95.1 | -13.1 | 178.5 | -46.2 | -48.8 | -176 | -159.9 | 0 | 112.9 | F1340 W1349 F1376 A1377 C1381 V1382 | F1340-K1379 HydrophobicContact CD1-CG 4.14Å; W1349-K1379 HydrophobicContact CD2-CB 4.4Å; W1349-K1379 HydrophobicContact CD2-CD 3.77Å; W1349-K1379 HydrophobicContact CD2-CG 4.18Å; W1349-K1379 HydrophobicContact CE3-CB 4.46Å; W1349-K1379 HydrophobicContact CE3-CD 4Å; W1349-K1379 HydrophobicContact CG-CD 4.38Å; W1349-K1379 HydrophobicContact CG-CG 4.31Å; W1349-K1379 HydrophobicContact CH2-CD 4Å; W1349-K1379 HydrophobicContact CZ2-CD 3.73Å; W1349-K1379 HydrophobicContact CZ3-CD 4.11Å; F1376-K1379 WeakPolarHBondContact O-CB 3.24Å; F1376-K1379 PolarHBondContact O-N 2.76Å; A1377-K1379 VanDerWaalsContact C-N 3.27Å; A1377-K1379 PolarHBondContact O-N 3.43Å; K1379-C1381 PolarHBondContact O-N 3.14Å; K1379-V1382 PolarHBondContact O-N 3.28Å; K1379-V1382 VanDerWaalsContact O-N 3.1Å |
| 1380 | L | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.7 | 177.8 | -69.5 | 173.1 | 0 | 0 | 0 | 113.5 | L1373 F1376 V1382 V1385 F1389 V1415 F1418 H1419 | L1373-L1380 HydrophobicContact CD1-CD1 4.35Å; F1376-L1380 HydrophobicContact CD2-CD1 4.42Å; F1376-L1380 HydrophobicContact CD2-CD2 4.32Å; F1376-L1380 HydrophobicContact CD2-CG 4.31Å; F1376-L1380 PolarHBondContact O-N 3.09Å; L1380-V1382 PolarHBondContact O-N 2.81Å; L1380-V1385 HydrophobicContact CD2-CG1 4.26Å; L1380-F1389 HydrophobicContact CD2-CB 4.49Å; L1380-F1389 HydrophobicContact CD2-CD2 3.61Å; L1380-F1389 HydrophobicContact CD2-CE2 4.1Å; L1380-F1389 HydrophobicContact CD2-CG 4.15Å; L1380-V1415 HydrophobicContact CD1-CG1 4.21Å; L1380-V1415 HydrophobicContact CD2-CG1 4.24Å; L1380-F1418 HydrophobicContact CD1-CB 3.75Å; L1380-H1419 PolarHBondContact O-ND1 2.71Å |
| 1381 | C | 89.5 | Confident | 92.2 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.9 | 170.7 | 64 | 0 | 0 | 0 | 0 | 112.9 | K1379 | K1379-C1381 PolarHBondContact O-N 3.14Š|
| 1382 | V | 91.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -76.8 | 127.1 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | E1346 W1349 R1350 K1379 L1380 E1384 V1385 Y1386 | E1346-V1382 HydrophobicContact CG-CG2 4.44Å; W1349-V1382 HydrophobicContact CE3-CG2 4.05Å; W1349-V1382 HydrophobicContact CZ3-CG2 4.33Å; R1350-V1382 HydrophobicContact CG-CG1 4.31Å; K1379-V1382 PolarHBondContact O-N 3.28Å; K1379-V1382 VanDerWaalsContact O-N 3.1Å; L1380-V1382 PolarHBondContact O-N 2.81Å; V1382-E1384 VanDerWaalsContact CG1-OE2 3.25Å; V1382-E1384 WeakPolarHBondContact CG1-OE2 3.27Å; V1382-E1384 PolarHBondContact O-N 3.49Å; V1382-V1385 HydrophobicContact CB-CB 4.07Å; V1382-V1385 HydrophobicContact CB-CG2 3.81Å; V1382-V1385 HydrophobicContact CG1-CB 4.4Å; V1382-V1385 HydrophobicContact CG1-CG2 3.87Å; V1382-V1385 WeakPolarHBondContact O-CB 3.33Å; V1382-V1385 PolarHBondContact O-N 2.98Å; V1382-Y1386 PolarHBondContact O-N 3.31Å |
| 1383 | Q | 91.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 33.7 Ų | 33.7 | 51% | 0.509 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.2 | -41.4 | -170.5 | -178.2 | 60.6 | 27.9 | 0 | 0 | 112.7 | Y1386 A1387 | Q1383-Y1386 PolarHBondContact O-N 2.92Å; Q1383-A1387 VanDerWaalsContact O-CB 3.31Å; Q1383-A1387 WeakPolarHBondContact O-CB 3.44Å; Q1383-A1387 PolarHBondContact O-N 3.02Å |
| 1384 | E | 91.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 35.5 Ų | 35.5 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.9 | -37.2 | -179 | -61 | 78.7 | -176.5 | 0 | 0 | 111.2 | R1350 V1382 A1387 A1388 | R1350-E1384 HydrophobicContact CG-CB 3.99Å; V1382-E1384 VanDerWaalsContact CG1-OE2 3.25Å; V1382-E1384 WeakPolarHBondContact CG1-OE2 3.27Å; V1382-E1384 PolarHBondContact O-N 3.49Å; E1384-A1387 PolarHBondContact O-N 3.17Å; E1384-A1388 PolarHBondContact O-N 3.05Å |
| 1385 | V | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -51.8 | 173.7 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | W1349 R1350 S1353 L1380 V1382 A1387 A1388 F1389 | W1349-V1385 HydrophobicContact CB-CG2 4.06Å; R1350-V1385 HydrophobicContact CG-CG2 4.26Å; S1353-V1385 WeakPolarHBondContact OG-CG1 3.44Å; L1380-V1385 HydrophobicContact CD2-CG1 4.26Å; V1382-V1385 HydrophobicContact CB-CB 4.07Å; V1382-V1385 HydrophobicContact CB-CG2 3.81Å; V1382-V1385 HydrophobicContact CG1-CB 4.4Å; V1382-V1385 HydrophobicContact CG1-CG2 3.87Å; V1382-V1385 WeakPolarHBondContact O-CB 3.33Å; V1382-V1385 PolarHBondContact O-N 2.98Å; V1385-A1387 VanDerWaalsContact C-N 3.34Å; V1385-A1387 PolarHBondContact O-N 3.35Å; V1385-A1388 WeakPolarHBondContact O-CB 3.24Å; V1385-A1388 PolarHBondContact O-N 2.93Å; V1385-F1389 HydrophobicContact CG1-CD2 4.11Å; V1385-F1389 HydrophobicContact CG1-CE2 3.94Å; V1385-F1389 VanDerWaalsContact O-CD2 3.25Å; V1385-F1389 WeakPolarHBondContact O-CD2 3.36Å; V1385-F1389 PolarHBondContact O-N 3.39Å |
| 1386 | Y | 94.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 35 Ų | 35 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 176.7 | 173.9 | -100.8 | 0 | 0 | 0 | 112.5 | V1382 Q1383 A1388 F1389 D1390 V1415 H1419 | V1382-Y1386 PolarHBondContact O-N 3.31Å; Q1383-Y1386 PolarHBondContact O-N 2.92Å; Y1386-A1388 VanDerWaalsContact C-N 3.29Å; Y1386-A1388 PolarHBondContact O-N 2.85Å; Y1386-F1389 PolarHBondContact O-N 2.85Å; Y1386-F1389 VanDerWaalsContact O-N 3.15Å; Y1386-D1390 HydrophobicContact CE1-CB 4.45Å; Y1386-D1390 WeakPolarHBondContact O-CB 3.43Å; Y1386-D1390 PolarHBondContact O-N 3.07Å; Y1386-V1415 HydrophobicContact CD2-CG1 4.09Å; Y1386-V1415 HydrophobicContact CE2-CG1 4.02Å; Y1386-H1419 HydrophobicContact CD2-CB 3.42Å; Y1386-H1419 VanDerWaalsContact CD2-CB 3.42Å; Y1386-H1419 AromaticContact CD2-CD2 4Å; Y1386-H1419 AromaticContact CD2-CG 3.43Å; Y1386-H1419 VanDerWaalsContact CD2-CG 3.43Å; Y1386-H1419 AromaticContact CD2-ND1 3.75Å; Y1386-H1419 HydrophobicContact CE2-CB 3.65Å; Y1386-H1419 AromaticContact CE2-CD2 4Å; Y1386-H1419 AromaticContact CE2-CG 3.78Å; Y1386-H1419 HydrophobicContact CG-CB 4.14Å; Y1386-H1419 AromaticContact CG-CE1 3.85Å; Y1386-H1419 AromaticContact CG-CG 3.65Å; Y1386-H1419 AromaticContact CG-ND1 3.52Å |
| 1387 | A | 94.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 38 Ų | 38 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.5 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1383 E1384 V1385 D1390 S1391 | Q1383-A1387 VanDerWaalsContact O-CB 3.31Å; Q1383-A1387 WeakPolarHBondContact O-CB 3.44Å; Q1383-A1387 PolarHBondContact O-N 3.02Å; E1384-A1387 PolarHBondContact O-N 3.17Å; V1385-A1387 VanDerWaalsContact C-N 3.34Å; V1385-A1387 PolarHBondContact O-N 3.35Å; A1387-D1390 PolarHBondContact O-N 3.35Å; A1387-S1391 WeakPolarHBondContact O-CB 3.48Å; A1387-S1391 PolarHBondContact O-N 3.35Å |
| 1388 | A | 92.5 | Very high | 91.5 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1357 E1384 V1385 Y1386 S1391 I1392 | N1357-A1388 HydrophobicContact CB-CB 4.3Å; E1384-A1388 PolarHBondContact O-N 3.05Å; V1385-A1388 WeakPolarHBondContact O-CB 3.24Å; V1385-A1388 PolarHBondContact O-N 2.93Å; Y1386-A1388 VanDerWaalsContact C-N 3.29Å; Y1386-A1388 PolarHBondContact O-N 2.85Å; A1388-S1391 WeakPolarHBondContact O-CB 3.31Å; A1388-S1391 PolarHBondContact O-N 2.92Å; A1388-I1392 VanDerWaalsContact O-CG1 3.27Å; A1388-I1392 WeakPolarHBondContact O-CG1 3.47Å; A1388-I1392 PolarHBondContact O-N 3.5Å |
| 1389 | F | 95 | Very high | 91.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 175.9 | -77.3 | -82.1 | 0 | 0 | 0 | 112.8 | L1356 L1369 F1376 L1380 V1385 Y1386 S1391 I1392 I1393 V1415 | L1356-F1389 HydrophobicContact CD1-CE1 3.97Å; L1356-F1389 HydrophobicContact CD1-CE2 4.48Å; L1356-F1389 HydrophobicContact CD1-CZ 3.59Å; L1369-F1389 HydrophobicContact CD1-CE1 3.83Å; L1369-F1389 HydrophobicContact CD2-CD1 4.33Å; L1369-F1389 HydrophobicContact CD2-CE1 4.2Å; L1369-F1389 HydrophobicContact CG-CE1 4.31Å; F1376-F1389 HydrophobicContact CD1-CZ 4.15Å; F1376-F1389 AromaticContact CD2-CE1 3.85Å; F1376-F1389 HydrophobicContact CD2-CE1 3.85Å; F1376-F1389 AromaticContact CD2-CE2 3.84Å; F1376-F1389 HydrophobicContact CD2-CE2 3.84Å; F1376-F1389 AromaticContact CD2-CZ 3.4Å; F1376-F1389 HydrophobicContact CD2-CZ 3.4Å; F1376-F1389 VanDerWaalsContact CD2-CZ 3.4Å; F1376-F1389 HydrophobicContact CE1-CE1 4.12Å; F1376-F1389 HydrophobicContact CE1-CZ 4.19Å; F1376-F1389 AromaticContact CE2-CD1 3.98Å; F1376-F1389 HydrophobicContact CE2-CD1 3.98Å; F1376-F1389 AromaticContact CE2-CE1 3.34Å; F1376-F1389 HydrophobicContact CE2-CE1 3.34Å; F1376-F1389 HydrophobicContact CE2-CE2 4.12Å; F1376-F1389 AromaticContact CE2-CZ 3.44Å; F1376-F1389 HydrophobicContact CE2-CZ 3.44Å; F1376-F1389 VanDerWaalsContact CE2-CZ 3.44Å; F1376-F1389 HydrophobicContact CG-CE1 4.42Å; F1376-F1389 HydrophobicContact CG-CE2 4.39Å; F1376-F1389 AromaticContact CG-CZ 3.77Å; F1376-F1389 HydrophobicContact CG-CZ 3.77Å; F1376-F1389 HydrophobicContact CZ-CD1 4.32Å; F1376-F1389 AromaticContact CZ-CE1 3.49Å; F1376-F1389 HydrophobicContact CZ-CE1 3.49Å; F1376-F1389 VanDerWaalsContact CZ-CE1 3.49Å; F1376-F1389 AromaticContact CZ-CZ 3.85Å; F1376-F1389 HydrophobicContact CZ-CZ 3.85Å; L1380-F1389 HydrophobicContact CD2-CB 4.49Å; L1380-F1389 HydrophobicContact CD2-CD2 3.61Å; L1380-F1389 HydrophobicContact CD2-CE2 4.1Å; L1380-F1389 HydrophobicContact CD2-CG 4.15Å; V1385-F1389 HydrophobicContact CG1-CD2 4.11Å; V1385-F1389 HydrophobicContact CG1-CE2 3.94Å; V1385-F1389 VanDerWaalsContact O-CD2 3.25Å; V1385-F1389 WeakPolarHBondContact O-CD2 3.36Å; V1385-F1389 PolarHBondContact O-N 3.39Å; Y1386-F1389 PolarHBondContact O-N 2.85Å; Y1386-F1389 VanDerWaalsContact O-N 3.15Å; F1389-S1391 VanDerWaalsContact C-N 3.34Å; F1389-I1392 HydrophobicContact CD1-CD1 4.47Å; F1389-I1392 PolarHBondContact O-N 3.44Å; F1389-I1393 WeakPolarHBondContact O-CD1 3.35Å; F1389-I1393 VanDerWaalsContact O-CG1 3.25Å; F1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; F1389-I1393 PolarHBondContact O-N 3.2Å; F1389-V1415 HydrophobicContact CB-CG1 4.21Å |
| 1390 | D | 93.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.2 | -165.3 | 51.4 | 0 | 0 | 0 | 111.8 | Y1386 A1387 I1393 S1394 | Y1386-D1390 HydrophobicContact CE1-CB 4.45Å; Y1386-D1390 WeakPolarHBondContact O-CB 3.43Å; Y1386-D1390 PolarHBondContact O-N 3.07Å; A1387-D1390 PolarHBondContact O-N 3.35Å; D1390-I1393 PolarHBondContact O-N 3.22Å; D1390-S1394 VanDerWaalsContact O-CB 3.3Å; D1390-S1394 WeakPolarHBondContact O-CB 3.39Å; D1390-S1394 PolarHBondContact O-N 2.89Å; D1390-S1394 PolarHBondContact O-OG 2.93Å |
| 1391 | S | 93.6 | Very high | 90.4 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 172.1 | 171 | 0 | 0 | 0 | 0 | 112 | N1357 A1387 A1388 F1389 I1393 S1394 N1395 | N1357-S1391 WeakPolarHBondContact OD1-CB 3.39Å; N1357-S1391 PolarHBondContact OD1-OG 3.35Å; A1387-S1391 WeakPolarHBondContact O-CB 3.48Å; A1387-S1391 PolarHBondContact O-N 3.35Å; A1388-S1391 WeakPolarHBondContact O-CB 3.31Å; A1388-S1391 PolarHBondContact O-N 2.92Å; F1389-S1391 VanDerWaalsContact C-N 3.34Å; S1391-I1393 VanDerWaalsContact C-N 3.35Å; S1391-I1393 PolarHBondContact O-N 3.4Å; S1391-S1394 PolarHBondContact O-N 3.44Å; S1391-N1395 PolarHBondContact O-N 2.87Å; S1391-N1395 PolarHBondContact O-ND2 3.37Å |
| 1392 | I | 93 | Very high | 90 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.5 | -51.2 | 176.1 | -69.1 | 165.3 | 0 | 0 | 0 | 110.5 | L1356 N1357 F1361 L1369 A1388 F1389 S1394 N1395 V1396 | L1356-I1392 HydrophobicContact CB-CD1 3.88Å; N1357-I1392 HydrophobicContact CB-CD1 4.19Å; N1357-I1392 HydrophobicContact CB-CG1 3.99Å; N1357-I1392 WeakPolarHBondContact OD1-CG1 3.35Å; F1361-I1392 HydrophobicContact CD1-CG2 4.44Å; F1361-I1392 HydrophobicContact CD2-CG1 4.44Å; F1361-I1392 HydrophobicContact CD2-CG2 3.64Å; F1361-I1392 HydrophobicContact CE1-CG2 4.32Å; F1361-I1392 HydrophobicContact CE2-CB 4.25Å; F1361-I1392 HydrophobicContact CE2-CD1 3.8Å; F1361-I1392 HydrophobicContact CE2-CG1 3.76Å; F1361-I1392 HydrophobicContact CE2-CG2 3.44Å; F1361-I1392 VanDerWaalsContact CE2-CG2 3.44Å; F1361-I1392 HydrophobicContact CG-CG2 4.13Å; F1361-I1392 HydrophobicContact CZ-CD1 4.02Å; F1361-I1392 HydrophobicContact CZ-CG1 4.43Å; F1361-I1392 HydrophobicContact CZ-CG2 3.84Å; L1369-I1392 HydrophobicContact CD2-CG2 4.22Å; A1388-I1392 VanDerWaalsContact O-CG1 3.27Å; A1388-I1392 WeakPolarHBondContact O-CG1 3.47Å; A1388-I1392 PolarHBondContact O-N 3.5Å; F1389-I1392 HydrophobicContact CD1-CD1 4.47Å; F1389-I1392 PolarHBondContact O-N 3.44Å; I1392-S1394 VanDerWaalsContact C-N 3.32Å; I1392-S1394 PolarHBondContact O-N 3.14Å; I1392-N1395 PolarHBondContact O-N 2.71Å; I1392-V1396 HydrophobicContact CG2-CG2 4.45Å; I1392-V1396 VanDerWaalsContact O-CG2 3.32Å; I1392-V1396 WeakPolarHBondContact O-CG2 3.36Å; I1392-V1396 PolarHBondContact O-N 2.97Å |
| 1393 | I | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -179.2 | -68.6 | 162.2 | 0 | 0 | 0 | 110.5 | F1389 D1390 S1391 N1395 V1396 K1397 L1408 F1411 E1412 V1415 | F1389-I1393 WeakPolarHBondContact O-CD1 3.35Å; F1389-I1393 VanDerWaalsContact O-CG1 3.25Å; F1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; F1389-I1393 PolarHBondContact O-N 3.2Å; D1390-I1393 PolarHBondContact O-N 3.22Å; S1391-I1393 VanDerWaalsContact C-N 3.35Å; S1391-I1393 PolarHBondContact O-N 3.4Å; I1393-N1395 PolarHBondContact O-N 3.19Å; I1393-V1396 PolarHBondContact O-N 3.31Å; I1393-K1397 HydrophobicContact CG2-CD 4.35Å; I1393-K1397 WeakPolarHBondContact O-CB 3.4Å; I1393-K1397 WeakPolarHBondContact O-CG 3.4Å; I1393-K1397 PolarHBondContact O-N 2.75Å; I1393-L1408 HydrophobicContact CG1-CD1 4.49Å; I1393-L1408 HydrophobicContact CG2-CD1 4.18Å; I1393-L1408 HydrophobicContact CG2-CG 4.39Å; I1393-F1411 HydrophobicContact CD1-CD1 3.89Å; I1393-F1411 HydrophobicContact CD1-CE1 3.87Å; I1393-F1411 HydrophobicContact CG1-CD1 3.92Å; I1393-F1411 HydrophobicContact CG1-CE1 3.93Å; I1393-E1412 HydrophobicContact CD1-CB 4.31Å; I1393-E1412 HydrophobicContact CG2-CB 4.04Å; I1393-E1412 HydrophobicContact CG2-CG 4.13Å; I1393-V1415 HydrophobicContact CD1-CB 4.41Å; I1393-V1415 HydrophobicContact CD1-CG2 4.3Å |
| 1394 | S | 90.7 | Very high | 88.9 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.6 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | D1390 S1391 I1392 | D1390-S1394 VanDerWaalsContact O-CB 3.3Å; D1390-S1394 WeakPolarHBondContact O-CB 3.39Å; D1390-S1394 PolarHBondContact O-N 2.89Å; D1390-S1394 PolarHBondContact O-OG 2.93Å; S1391-S1394 PolarHBondContact O-N 3.44Å; I1392-S1394 VanDerWaalsContact C-N 3.32Å; I1392-S1394 PolarHBondContact O-N 3.14Å |
| 1395 | N | 89.1 | Confident | 88.7 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 177.6 | -72.5 | -20.1 | 0 | 0 | 0 | 111.6 | S1391 I1392 I1393 K1397 K1398 | S1391-N1395 PolarHBondContact O-N 2.87Å; S1391-N1395 PolarHBondContact O-ND2 3.37Å; I1392-N1395 PolarHBondContact O-N 2.71Å; I1393-N1395 PolarHBondContact O-N 3.19Å; N1395-K1397 VanDerWaalsContact C-N 3.34Å; N1395-K1397 PolarHBondContact O-N 2.87Å; N1395-K1398 PolarHBondContact O-N 3.4Å |
| 1396 | V | 88.8 | Confident | 88.4 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | F1361 M1366 I1392 I1393 K1398 L1399 I1400 L1408 | F1361-V1396 HydrophobicContact CB-CG2 3.54Å; F1361-V1396 HydrophobicContact CG-CG2 4.23Å; M1366-V1396 HydrophobicContact CG-CG1 4.49Å; I1392-V1396 HydrophobicContact CG2-CG2 4.45Å; I1392-V1396 VanDerWaalsContact O-CG2 3.32Å; I1392-V1396 WeakPolarHBondContact O-CG2 3.36Å; I1392-V1396 PolarHBondContact O-N 2.97Å; I1393-V1396 PolarHBondContact O-N 3.31Å; V1396-K1398 PolarHBondContact O-N 3.03Å; V1396-K1398 VanDerWaalsContact O-N 3.1Å; V1396-L1399 PolarHBondContact O-N 3.11Å; V1396-I1400 HydrophobicContact CG1-CB 4.2Å; V1396-I1400 HydrophobicContact CG1-CD1 3.95Å; V1396-I1400 VanDerWaalsContact O-CB 3.28Å; V1396-I1400 WeakPolarHBondContact O-CB 3.37Å; V1396-I1400 WeakPolarHBondContact O-CG2 3.47Å; V1396-I1400 PolarHBondContact O-N 3.34Å; V1396-L1408 HydrophobicContact CB-CD2 4.25Å; V1396-L1408 HydrophobicContact CG1-CD1 4.33Å; V1396-L1408 HydrophobicContact CG1-CD2 3.83Å |
| 1397 | K | 88.1 | Confident | 87.9 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54.3 | -30 | 176.7 | -85.9 | -178.3 | 174.4 | -176 | 0 | 114 | I1393 N1395 L1408 E1412 | I1393-K1397 HydrophobicContact CG2-CD 4.35Å; I1393-K1397 WeakPolarHBondContact O-CB 3.4Å; I1393-K1397 WeakPolarHBondContact O-CG 3.4Å; I1393-K1397 PolarHBondContact O-N 2.75Å; N1395-K1397 VanDerWaalsContact C-N 3.34Å; N1395-K1397 PolarHBondContact O-N 2.87Å; K1397-L1408 HydrophobicContact CB-CD2 4.22Å; K1397-L1408 HydrophobicContact CG-CD2 3.44Å; K1397-L1408 VanDerWaalsContact CG-CD2 3.44Å; K1397-L1408 HydrophobicContact CG-CG 4.2Å; K1397-E1412 WeakPolarHBondContact CE-OE2 3.46Å; K1397-E1412 IonicContact NZ-OE1 3.62Å; K1397-E1412 PolarHBondContact NZ-OE1 3.4Å; K1397-E1412 IonicContact NZ-OE2 3.67Å; K1397-E1412 PolarHBondContact NZ-OE2 2.83Å |
| 1398 | K | 86.7 | Confident | 87.5 | Confident | 167 Ų | 167 | 66.8 Ų | 66.8 | 73% | 0.726 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -75.6 | -27.4 | 180 | -65.2 | 174.7 | -176.8 | 173.3 | 0 | 113.2 | N1395 V1396 | N1395-K1398 PolarHBondContact O-N 3.4Å; V1396-K1398 PolarHBondContact O-N 3.03Å; V1396-K1398 VanDerWaalsContact O-N 3.1Å |
| 1399 | L | 83.1 | Confident | 87.4 | Confident | 155 Ų | 155 | 70.9 Ų | 70.9 | 81% | 0.812 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -110.5 | -15.4 | -170.3 | -65.6 | 168.6 | 0 | 0 | 0 | 113.3 | V1396 | V1396-L1399 PolarHBondContact O-N 3.11Å |
| 1400 | I | 83.7 | Confident | 87.2 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | trans | -75.7 | 146.1 | -171 | -165.1 | 162.7 | 0 | 0 | 0 | 112.9 | D1363 V1396 N1404 M1405 L1408 | D1363-I1400 WeakPolarHBondContact OD1-CG1 3.42Å; V1396-I1400 HydrophobicContact CG1-CB 4.2Å; V1396-I1400 HydrophobicContact CG1-CD1 3.95Å; V1396-I1400 VanDerWaalsContact O-CB 3.28Å; V1396-I1400 WeakPolarHBondContact O-CB 3.37Å; V1396-I1400 WeakPolarHBondContact O-CG2 3.47Å; V1396-I1400 PolarHBondContact O-N 3.34Å; I1400-N1404 HydrophobicContact CD1-CB 3.6Å; I1400-N1404 HydrophobicContact CG1-CB 3.71Å; I1400-M1405 HydrophobicContact CG2-CG 3.83Å; I1400-M1405 HydrophobicContact CG2-SD 3.17Å; I1400-M1405 WeakPolarHBondContact CG2-SD 3.39Å; I1400-L1408 HydrophobicContact CD1-CB 4.25Å; I1400-L1408 HydrophobicContact CD1-CD2 3.93Å; I1400-L1408 HydrophobicContact CG2-CD2 4.04Å | ||
| 1401 | K | 83.1 | Confident | 87.1 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | trans | -70.9 | 149.8 | 176.9 | -68.2 | 177.6 | -178.9 | 173.2 | 0 | 111.6 | D1403 N1404 M1405 | K1401-D1403 PolarHBondContact O-N 3.43Å; K1401-D1403 VanDerWaalsContact O-N 3.09Å; K1401-N1404 PolarHBondContact O-N 3.49Å; K1401-M1405 PolarHBondContact O-N 3.36Å | ||
| 1402 | P | 80.6 | Confident | 87.1 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -52.6 | -37 | -178 | -24.9 | 31.6 | 0 | 0 | 0 | 114 | N1404 M1405 | P1402-N1404 VanDerWaalsContact C-N 3.26Å; P1402-N1404 PolarHBondContact O-N 3.24Å; P1402-M1405 PolarHBondContact O-N 3.15Å |
| 1403 | D | 79.6 | Confident | 87.1 | Confident | 149 Ų | 149 | 76.9 Ų | 76.9 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.7 | -25.4 | -177.3 | -60.1 | -18.7 | 0 | 0 | 0 | 113.6 | K1401 | K1401-D1403 PolarHBondContact O-N 3.43Å; K1401-D1403 VanDerWaalsContact O-N 3.09Å |
| 1404 | N | 80.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 80 Ų | 80 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -98.5 | -9.8 | -179 | -69 | -28.7 | 0 | 0 | 0 | 113.3 | D1363 I1400 K1401 P1402 A1406 R1407 L1408 | D1363-N1404 PolarHBondContact OD1-ND2 2.84Å; D1363-N1404 PolarHBondContact OD2-ND2 3.3Å; I1400-N1404 HydrophobicContact CD1-CB 3.6Å; I1400-N1404 HydrophobicContact CG1-CB 3.71Å; K1401-N1404 PolarHBondContact O-N 3.49Å; P1402-N1404 VanDerWaalsContact C-N 3.26Å; P1402-N1404 PolarHBondContact O-N 3.24Å; N1404-A1406 VanDerWaalsContact C-N 3.32Å; N1404-A1406 PolarHBondContact O-N 2.73Å; N1404-R1407 PolarHBondContact O-N 3.42Å; N1404-L1408 PolarHBondContact O-N 3.42Å |
| 1405 | M | 87.1 | Confident | 87.3 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.3 | -42.1 | -178.7 | -81.3 | -69.9 | -100.1 | 0 | 0 | 112.9 | I1400 K1401 P1402 R1407 L1408 E1409 | I1400-M1405 HydrophobicContact CG2-CG 3.83Å; I1400-M1405 HydrophobicContact CG2-SD 3.17Å; I1400-M1405 WeakPolarHBondContact CG2-SD 3.39Å; K1401-M1405 PolarHBondContact O-N 3.36Å; P1402-M1405 PolarHBondContact O-N 3.15Å; M1405-R1407 VanDerWaalsContact C-N 3.3Å; M1405-R1407 PolarHBondContact O-N 2.95Å; M1405-L1408 WeakPolarHBondContact O-CB 3.3Å; M1405-L1408 PolarHBondContact O-N 3.05Å; M1405-L1408 VanDerWaalsContact O-N 3.1Å; M1405-E1409 WeakPolarHBondContact O-CG 3.4Å; M1405-E1409 PolarHBondContact O-N 3.2Å |
| 1406 | A | 86.3 | Confident | 87.4 | Confident | 69 Ų | 69 | 79 Ų | 79 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.3 | -35.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1404 E1410 | N1404-A1406 VanDerWaalsContact C-N 3.32Å; N1404-A1406 PolarHBondContact O-N 2.73Å; A1406-E1410 PolarHBondContact O-N 2.78Å; A1406-E1410 VanDerWaalsContact O-N 3.1Å |
| 1407 | R | 83.9 | Confident | 87.6 | Confident | 164 Ų | 164 | 84.3 Ų | 84.3 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -73.8 | -35.4 | 176 | -70.1 | -174.6 | -173.6 | 139.3 | 0.4 | 111.9 | N1404 M1405 E1410 F1411 | N1404-R1407 PolarHBondContact O-N 3.42Å; M1405-R1407 VanDerWaalsContact C-N 3.3Å; M1405-R1407 PolarHBondContact O-N 2.95Å; R1407-E1410 PolarHBondContact O-N 3.48Å; R1407-F1411 PolarHBondContact O-N 3.18Å |
| 1408 | L | 87.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 85 Ų | 85 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.9 | -175.4 | 60.9 | 0 | 0 | 0 | 111.1 | M1366 I1393 V1396 K1397 I1400 N1404 M1405 F1411 E1412 | M1366-L1408 HydrophobicContact CG-CD1 4.18Å; M1366-L1408 HydrophobicContact SD-CD1 4.05Å; I1393-L1408 HydrophobicContact CG1-CD1 4.49Å; I1393-L1408 HydrophobicContact CG2-CD1 4.18Å; I1393-L1408 HydrophobicContact CG2-CG 4.39Å; V1396-L1408 HydrophobicContact CB-CD2 4.25Å; V1396-L1408 HydrophobicContact CG1-CD1 4.33Å; V1396-L1408 HydrophobicContact CG1-CD2 3.83Å; K1397-L1408 HydrophobicContact CB-CD2 4.22Å; K1397-L1408 HydrophobicContact CG-CD2 3.44Å; K1397-L1408 VanDerWaalsContact CG-CD2 3.44Å; K1397-L1408 HydrophobicContact CG-CG 4.2Å; I1400-L1408 HydrophobicContact CD1-CB 4.25Å; I1400-L1408 HydrophobicContact CD1-CD2 3.93Å; I1400-L1408 HydrophobicContact CG2-CD2 4.04Å; N1404-L1408 PolarHBondContact O-N 3.42Å; M1405-L1408 WeakPolarHBondContact O-CB 3.3Å; M1405-L1408 PolarHBondContact O-N 3.05Å; M1405-L1408 VanDerWaalsContact O-N 3.1Å; L1408-F1411 PolarHBondContact O-N 3.38Å; L1408-E1412 WeakPolarHBondContact O-CB 3.48Å; L1408-E1412 PolarHBondContact O-N 2.84Å |
| 1409 | E | 89.5 | Confident | 88.1 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 172.3 | -70 | 176.8 | 175.6 | 0 | 0 | 111.9 | M1405 F1411 E1412 T1413 | M1405-E1409 WeakPolarHBondContact O-CG 3.4Å; M1405-E1409 PolarHBondContact O-N 3.2Å; E1409-F1411 PolarHBondContact O-N 2.97Å; E1409-E1412 PolarHBondContact O-N 3.27Å; E1409-T1413 WeakPolarHBondContact O-CG2 3.25Å; E1409-T1413 PolarHBondContact O-N 3.28Å; E1409-T1413 PolarHBondContact O-OG1 3.1Å |
| 1410 | E | 91.1 | Very high | 88.4 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.1 | -166.8 | -165.6 | 160.6 | 0 | 0 | 111.5 | Y1370 A1406 R1407 T1413 K1414 | Y1370-E1410 PolarHBondContact OH-OE1 3.01Å; A1406-E1410 PolarHBondContact O-N 2.78Å; A1406-E1410 VanDerWaalsContact O-N 3.1Å; R1407-E1410 PolarHBondContact O-N 3.48Å; E1410-T1413 PolarHBondContact O-N 3.31Å; E1410-T1413 PolarHBondContact O-OG1 2.94Å; E1410-K1414 PolarHBondContact O-N 3.26Å; E1410-K1414 VanDerWaalsContact O-N 3.12Å; E1410-K1414 WeakPolarHBondContact OE1-CE 3.29Å; E1410-K1414 IonicContact OE1-NZ 3.67Å; E1410-K1414 PolarHBondContact OE1-NZ 2.86Å |
| 1411 | F | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 0% | 0.004 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.8 | 178.2 | -117.9 | 0 | 0 | 0 | 112.2 | M1366 L1369 Y1370 L1373 F1376 I1393 R1407 L1408 E1409 T1413 K1414 V1415 | M1366-F1411 HydrophobicContact CE-CD1 3.17Å; M1366-F1411 HydrophobicContact CE-CD2 4.46Å; M1366-F1411 HydrophobicContact CE-CE1 3.21Å; M1366-F1411 HydrophobicContact CE-CE2 4.45Å; M1366-F1411 HydrophobicContact CE-CG 3.83Å; M1366-F1411 HydrophobicContact CE-CZ 3.87Å; M1366-F1411 HydrophobicContact SD-CD1 4.47Å; M1366-F1411 HydrophobicContact SD-CE1 4.49Å; L1369-F1411 HydrophobicContact CD2-CE1 4.32Å; L1369-F1411 HydrophobicContact CD2-CZ 4.28Å; L1369-F1411 HydrophobicContact CG-CZ 4.21Å; Y1370-F1411 HydrophobicContact CD2-CB 4.19Å; Y1370-F1411 AromaticContact CD2-CD2 3.18Å; Y1370-F1411 HydrophobicContact CD2-CD2 3.18Å; Y1370-F1411 AromaticContact CD2-CE2 3.81Å; Y1370-F1411 HydrophobicContact CD2-CE2 3.81Å; Y1370-F1411 HydrophobicContact CD2-CG 4.04Å; Y1370-F1411 HydrophobicContact CE2-CB 4.37Å; Y1370-F1411 AromaticContact CE2-CD2 3.79Å; Y1370-F1411 HydrophobicContact CE2-CD2 3.79Å; Y1370-F1411 HydrophobicContact CG-CB 4.36Å; Y1370-F1411 AromaticContact CG-CD2 3.81Å; Y1370-F1411 HydrophobicContact CG-CD2 3.81Å; Y1370-F1411 HydrophobicContact CG-CE2 4.43Å; Y1370-F1411 HydrophobicContact CG-CG 4.33Å; L1373-F1411 HydrophobicContact CB-CE2 4.47Å; L1373-F1411 HydrophobicContact CD1-CE2 4.08Å; L1373-F1411 HydrophobicContact CD2-CE2 4.47Å; F1376-F1411 HydrophobicContact CZ-CZ 4.4Å; I1393-F1411 HydrophobicContact CD1-CD1 3.89Å; I1393-F1411 HydrophobicContact CD1-CE1 3.87Å; I1393-F1411 HydrophobicContact CG1-CD1 3.92Å; I1393-F1411 HydrophobicContact CG1-CE1 3.93Å; R1407-F1411 PolarHBondContact O-N 3.18Å; L1408-F1411 PolarHBondContact O-N 3.38Å; E1409-F1411 PolarHBondContact O-N 2.97Å; F1411-T1413 VanDerWaalsContact C-N 3.33Å; F1411-T1413 PolarHBondContact O-N 3.29Å; F1411-K1414 PolarHBondContact O-N 3.5Å; F1411-K1414 VanDerWaalsContact O-N 3.16Å; F1411-V1415 HydrophobicContact CD1-CG2 4.26Å; F1411-V1415 HydrophobicContact CD2-CG2 4.02Å; F1411-V1415 HydrophobicContact CE1-CG2 3.84Å; F1411-V1415 HydrophobicContact CE2-CG2 3.64Å; F1411-V1415 HydrophobicContact CG-CG2 4.38Å; F1411-V1415 HydrophobicContact CZ-CG2 3.55Å; F1411-V1415 WeakPolarHBondContact O-CG2 3.46Å; F1411-V1415 PolarHBondContact O-N 3.25Å |
| 1412 | E | 93.2 | Very high | 88.9 | Confident | 55 Ų | 55 | 75 Ų | 75 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56 | -46.1 | 175.8 | -178.2 | -174.9 | -149.4 | 0 | 0 | 111.9 | I1393 K1397 L1408 E1409 K1414 V1415 K1416 | I1393-E1412 HydrophobicContact CD1-CB 4.31Å; I1393-E1412 HydrophobicContact CG2-CB 4.04Å; I1393-E1412 HydrophobicContact CG2-CG 4.13Å; K1397-E1412 WeakPolarHBondContact CE-OE2 3.46Å; K1397-E1412 IonicContact NZ-OE1 3.62Å; K1397-E1412 PolarHBondContact NZ-OE1 3.4Å; K1397-E1412 IonicContact NZ-OE2 3.67Å; K1397-E1412 PolarHBondContact NZ-OE2 2.83Å; L1408-E1412 WeakPolarHBondContact O-CB 3.48Å; L1408-E1412 PolarHBondContact O-N 2.84Å; E1409-E1412 PolarHBondContact O-N 3.27Å; E1412-K1414 VanDerWaalsContact C-N 3.34Å; E1412-K1414 PolarHBondContact O-N 3.15Å; E1412-V1415 PolarHBondContact O-N 3.3Å; E1412-K1416 WeakPolarHBondContact O-CB 3.47Å; E1412-K1416 PolarHBondContact O-N 3.3Å |
| 1413 | T | 92.9 | Very high | 89.2 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | E1409 E1410 F1411 K1416 E1417 | E1409-T1413 WeakPolarHBondContact O-CG2 3.25Å; E1409-T1413 PolarHBondContact O-N 3.28Å; E1409-T1413 PolarHBondContact O-OG1 3.1Å; E1410-T1413 PolarHBondContact O-N 3.31Å; E1410-T1413 PolarHBondContact O-OG1 2.94Å; F1411-T1413 VanDerWaalsContact C-N 3.33Å; F1411-T1413 PolarHBondContact O-N 3.29Å; T1413-K1416 PolarHBondContact O-N 2.96Å; T1413-E1417 WeakPolarHBondContact O-CB 3.17Å; T1413-E1417 PolarHBondContact O-N 3.41Å |
| 1414 | K | 91.9 | Very high | 89.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.6 | -76 | 177.8 | 179.6 | 169.7 | 0 | 112.3 | Y1370 L1373 E1410 F1411 E1412 K1416 E1417 F1418 | Y1370-K1414 HydrophobicContact CE2-CD 3.84Å; Y1370-K1414 PolarHBondContact OH-NZ 3.1Å; L1373-K1414 HydrophobicContact CD2-CB 3.97Å; L1373-K1414 HydrophobicContact CD2-CD 4.34Å; E1410-K1414 PolarHBondContact O-N 3.26Å; E1410-K1414 VanDerWaalsContact O-N 3.12Å; E1410-K1414 WeakPolarHBondContact OE1-CE 3.29Å; E1410-K1414 IonicContact OE1-NZ 3.67Å; E1410-K1414 PolarHBondContact OE1-NZ 2.86Å; F1411-K1414 PolarHBondContact O-N 3.5Å; F1411-K1414 VanDerWaalsContact O-N 3.16Å; E1412-K1414 VanDerWaalsContact C-N 3.34Å; E1412-K1414 PolarHBondContact O-N 3.15Å; K1414-K1416 VanDerWaalsContact C-N 3.28Å; K1414-K1416 PolarHBondContact O-N 2.98Å; K1414-E1417 PolarHBondContact O-N 3.06Å; K1414-F1418 WeakPolarHBondContact O-CD2 3.46Å; K1414-F1418 PolarHBondContact O-N 3.26Å |
| 1415 | V | 93.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L1373 L1380 Y1386 F1389 I1393 F1411 E1412 F1418 H1419 | L1373-V1415 HydrophobicContact CD1-CG2 4.29Å; L1380-V1415 HydrophobicContact CD1-CG1 4.21Å; L1380-V1415 HydrophobicContact CD2-CG1 4.24Å; Y1386-V1415 HydrophobicContact CD2-CG1 4.09Å; Y1386-V1415 HydrophobicContact CE2-CG1 4.02Å; F1389-V1415 HydrophobicContact CB-CG1 4.21Å; I1393-V1415 HydrophobicContact CD1-CB 4.41Å; I1393-V1415 HydrophobicContact CD1-CG2 4.3Å; F1411-V1415 HydrophobicContact CD1-CG2 4.26Å; F1411-V1415 HydrophobicContact CD2-CG2 4.02Å; F1411-V1415 HydrophobicContact CE1-CG2 3.84Å; F1411-V1415 HydrophobicContact CE2-CG2 3.64Å; F1411-V1415 HydrophobicContact CG-CG2 4.38Å; F1411-V1415 HydrophobicContact CZ-CG2 3.55Å; F1411-V1415 WeakPolarHBondContact O-CG2 3.46Å; F1411-V1415 PolarHBondContact O-N 3.25Å; E1412-V1415 PolarHBondContact O-N 3.3Å; V1415-F1418 PolarHBondContact O-N 2.81Å; V1415-H1419 WeakPolarHBondContact O-CB 3.36Å; V1415-H1419 PolarHBondContact O-N 3.03Å |
| 1416 | K | 92.3 | Very high | 89.3 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.1 | -169.9 | 176.5 | 179.9 | 178.7 | 0 | 113 | E1412 T1413 K1414 F1418 H1419 E1420 | E1412-K1416 WeakPolarHBondContact O-CB 3.47Å; E1412-K1416 PolarHBondContact O-N 3.3Å; T1413-K1416 PolarHBondContact O-N 2.96Å; K1414-K1416 VanDerWaalsContact C-N 3.28Å; K1414-K1416 PolarHBondContact O-N 2.98Å; K1416-F1418 PolarHBondContact O-N 3.04Å; K1416-H1419 PolarHBondContact O-N 3.27Å; K1416-E1420 WeakPolarHBondContact CE-OE1 3.43Å; K1416-E1420 WeakPolarHBondContact O-CG 3.48Å; K1416-E1420 PolarHBondContact O-N 3.05Å |
| 1417 | E | 91.8 | Very high | 89.1 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 176.4 | -173.5 | -172.5 | 165.6 | 0 | 0 | 111.6 | T1413 K1414 E1420 K1421 | T1413-E1417 WeakPolarHBondContact O-CB 3.17Å; T1413-E1417 PolarHBondContact O-N 3.41Å; K1414-E1417 PolarHBondContact O-N 3.06Å; E1417-E1420 PolarHBondContact O-N 3.2Å; E1417-K1421 VanDerWaalsContact O-CB 3.23Å; E1417-K1421 WeakPolarHBondContact O-CB 3.37Å; E1417-K1421 PolarHBondContact O-N 3.22Å |
| 1418 | F | 92 | Very high | 88.9 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.4 | -80.2 | -65.3 | 0 | 0 | 0 | 112.4 | L1373 A1377 L1380 K1414 V1415 K1416 G1422 | L1373-F1418 HydrophobicContact CD1-CD2 4.34Å; L1373-F1418 HydrophobicContact CD2-CD2 4.07Å; L1373-F1418 HydrophobicContact CD2-CE2 3.72Å; L1373-F1418 HydrophobicContact CG-CD2 4.36Å; L1373-F1418 HydrophobicContact CG-CE2 4.16Å; A1377-F1418 HydrophobicContact CB-CD1 3.94Å; A1377-F1418 HydrophobicContact CB-CD2 4.29Å; A1377-F1418 HydrophobicContact CB-CE1 4.08Å; A1377-F1418 HydrophobicContact CB-CE2 4.45Å; A1377-F1418 HydrophobicContact CB-CG 4.06Å; A1377-F1418 HydrophobicContact CB-CZ 4.35Å; L1380-F1418 HydrophobicContact CD1-CB 3.75Å; K1414-F1418 WeakPolarHBondContact O-CD2 3.46Å; K1414-F1418 PolarHBondContact O-N 3.26Å; V1415-F1418 PolarHBondContact O-N 2.81Å; K1416-F1418 PolarHBondContact O-N 3.04Å; F1418-G1422 PolarHBondContact O-N 3.09Å |
| 1419 | H | 93.4 | Very high | 88.6 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 11% | 0.111 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.6 | -52.6 | 174 | 175.9 | 69.9 | 0 | 0 | 0 | 111.9 | L1380 Y1386 V1415 K1416 K1421 G1422 V1423 | L1380-H1419 PolarHBondContact O-ND1 2.71Å; Y1386-H1419 HydrophobicContact CD2-CB 3.42Å; Y1386-H1419 VanDerWaalsContact CD2-CB 3.42Å; Y1386-H1419 AromaticContact CD2-CD2 4Å; Y1386-H1419 AromaticContact CD2-CG 3.43Å; Y1386-H1419 VanDerWaalsContact CD2-CG 3.43Å; Y1386-H1419 AromaticContact CD2-ND1 3.75Å; Y1386-H1419 HydrophobicContact CE2-CB 3.65Å; Y1386-H1419 AromaticContact CE2-CD2 4Å; Y1386-H1419 AromaticContact CE2-CG 3.78Å; Y1386-H1419 HydrophobicContact CG-CB 4.14Å; Y1386-H1419 AromaticContact CG-CE1 3.85Å; Y1386-H1419 AromaticContact CG-CG 3.65Å; Y1386-H1419 AromaticContact CG-ND1 3.52Å; V1415-H1419 WeakPolarHBondContact O-CB 3.36Å; V1415-H1419 PolarHBondContact O-N 3.03Å; K1416-H1419 PolarHBondContact O-N 3.27Å; H1419-K1421 VanDerWaalsContact C-N 3.32Å; H1419-K1421 PolarHBondContact O-N 3.38Å; H1419-G1422 PolarHBondContact O-N 3.3Å; H1419-V1423 WeakPolarHBondContact O-CG2 3.02Å; H1419-V1423 PolarHBondContact O-N 2.71Å |
| 1420 | E | 90.9 | Very high | 88.1 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | -179.8 | -72.7 | 178.3 | -175.8 | 0 | 0 | 111.9 | K1416 E1417 A1424 | K1416-E1420 WeakPolarHBondContact CE-OE1 3.43Å; K1416-E1420 WeakPolarHBondContact O-CG 3.48Å; K1416-E1420 PolarHBondContact O-N 3.05Å; E1417-E1420 PolarHBondContact O-N 3.2Å; E1420-A1424 VanDerWaalsContact O-CB 3.26Å; E1420-A1424 WeakPolarHBondContact O-CB 3.36Å; E1420-A1424 PolarHBondContact O-N 3.4Å |
| 1421 | K | 89.2 | Confident | 87.4 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 175.7 | -174.1 | 179.1 | 178.3 | -177.7 | 0 | 111.8 | E1417 H1419 A1424 D1425 | E1417-K1421 VanDerWaalsContact O-CB 3.23Å; E1417-K1421 WeakPolarHBondContact O-CB 3.37Å; E1417-K1421 PolarHBondContact O-N 3.22Å; H1419-K1421 VanDerWaalsContact C-N 3.32Å; H1419-K1421 PolarHBondContact O-N 3.38Å; K1421-A1424 PolarHBondContact O-N 3.13Å; K1421-D1425 WeakPolarHBondContact O-CB 3.36Å; K1421-D1425 PolarHBondContact O-N 2.84Å |
| 1422 | G | 87.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 78 Ų | 78 | 19% | 0.186 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1418 H1419 D1425 E1426 | F1418-G1422 PolarHBondContact O-N 3.09Å; H1419-G1422 PolarHBondContact O-N 3.3Å; G1422-D1425 PolarHBondContact O-N 2.91Å; G1422-E1426 PolarHBondContact O-N 2.63Å |
| 1423 | V | 86.9 | Confident | 85.8 | Confident | 63 Ų | 63 | 80.4 Ų | 80.4 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | H1419 A1427 | H1419-V1423 WeakPolarHBondContact O-CG2 3.02Å; H1419-V1423 PolarHBondContact O-N 2.71Å; V1423-A1427 WeakPolarHBondContact O-CB 3.46Å; V1423-A1427 PolarHBondContact O-N 2.85Å |
| 1424 | A | 83.7 | Confident | 84.9 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1420 K1421 A1427 A1428 | E1420-A1424 VanDerWaalsContact O-CB 3.26Å; E1420-A1424 WeakPolarHBondContact O-CB 3.36Å; E1420-A1424 PolarHBondContact O-N 3.4Å; K1421-A1424 PolarHBondContact O-N 3.13Å; A1424-A1427 PolarHBondContact O-N 3.49Å; A1424-A1428 VanDerWaalsContact O-CB 3.29Å; A1424-A1428 WeakPolarHBondContact O-CB 3.46Å; A1424-A1428 PolarHBondContact O-N 3.02Å |
| 1425 | D | 84 | Confident | 84 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 176.4 | -76.2 | -18.4 | 0 | 0 | 0 | 111 | K1421 G1422 A1427 A1428 V1429 | K1421-D1425 WeakPolarHBondContact O-CB 3.36Å; K1421-D1425 PolarHBondContact O-N 2.84Å; G1422-D1425 PolarHBondContact O-N 2.91Å; D1425-A1427 PolarHBondContact O-N 3.2Å; D1425-A1428 CarbonylContact O-C 3.52Å; D1425-A1428 WeakPolarHBondContact O-CB 3.31Å; D1425-A1428 PolarHBondContact O-N 3.25Å; D1425-A1428 VanDerWaalsContact O-N 3.13Å; D1425-V1429 WeakPolarHBondContact O-CG2 3.27Å; D1425-V1429 PolarHBondContact O-N 2.9Å |
| 1426 | E | 81.7 | Confident | 82.9 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 41% | 0.407 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 171.8 | -99.1 | -134.5 | 138.9 | 0 | 0 | 111.9 | G1422 A1428 V1429 R1430 | G1422-E1426 PolarHBondContact O-N 2.63Å; E1426-A1428 VanDerWaalsContact C-N 3.27Å; E1426-A1428 PolarHBondContact O-N 3.23Å; E1426-V1429 PolarHBondContact O-N 2.95Å; E1426-R1430 PolarHBondContact O-N 3.38Å |
| 1427 | A | 81.9 | Confident | 81.9 | Confident | 41 Ų | 41 | 84 Ų | 84 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1423 A1424 D1425 R1431 | V1423-A1427 WeakPolarHBondContact O-CB 3.46Å; V1423-A1427 PolarHBondContact O-N 2.85Å; A1424-A1427 PolarHBondContact O-N 3.49Å; D1425-A1427 PolarHBondContact O-N 3.2Å; A1427-R1431 VanDerWaalsContact O-CB 3.23Å; A1427-R1431 WeakPolarHBondContact O-CB 3.44Å; A1427-R1431 WeakPolarHBondContact O-CG 3.25Å; A1427-R1431 PolarHBondContact O-N 3.42Å; A1427-R1431 PolarHBondContact O-NE 2.91Å |
| 1428 | A | 80.1 | Confident | 80.9 | Confident | 40 Ų | 40 | 81 Ų | 81 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1424 D1425 E1426 R1431 A1432 | A1424-A1428 VanDerWaalsContact O-CB 3.29Å; A1424-A1428 WeakPolarHBondContact O-CB 3.46Å; A1424-A1428 PolarHBondContact O-N 3.02Å; D1425-A1428 CarbonylContact O-C 3.52Å; D1425-A1428 WeakPolarHBondContact O-CB 3.31Å; D1425-A1428 PolarHBondContact O-N 3.25Å; D1425-A1428 VanDerWaalsContact O-N 3.13Å; E1426-A1428 VanDerWaalsContact C-N 3.27Å; E1426-A1428 PolarHBondContact O-N 3.23Å; A1428-R1431 PolarHBondContact O-N 3.22Å; A1428-A1432 WeakPolarHBondContact O-CB 3.4Å; A1428-A1432 PolarHBondContact O-N 2.9Å |
| 1429 | V | 81.1 | Confident | 79.5 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | D1425 E1426 R1431 A1432 E1433 | D1425-V1429 WeakPolarHBondContact O-CG2 3.27Å; D1425-V1429 PolarHBondContact O-N 2.9Å; E1426-V1429 PolarHBondContact O-N 2.95Å; V1429-R1431 PolarHBondContact O-N 2.66Å; V1429-A1432 CarbonylContact O-C 3.46Å; V1429-A1432 WeakPolarHBondContact O-CB 3.48Å; V1429-A1432 PolarHBondContact O-N 2.93Å; V1429-A1432 VanDerWaalsContact O-N 3.1Å; V1429-E1433 HydrophobicContact CG1-CG 4.41Å; V1429-E1433 WeakPolarHBondContact O-CB 3.48Å; V1429-E1433 WeakPolarHBondContact O-CG 3.18Å; V1429-E1433 PolarHBondContact O-N 2.99Å |
| 1430 | R | 78.8 | Confident | 78 | Confident | 166 Ų | 166 | 84.8 Ų | 84.8 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.7 | -45.1 | 173.7 | -95.1 | -173.1 | -179.7 | 153.7 | 2.6 | 112 | E1426 A1432 E1433 I1434 | E1426-R1430 PolarHBondContact O-N 3.38Å; R1430-A1432 VanDerWaalsContact C-N 3.33Å; R1430-A1432 PolarHBondContact O-N 3.12Å; R1430-E1433 PolarHBondContact O-N 2.86Å; R1430-I1434 WeakPolarHBondContact O-CB 3.23Å; R1430-I1434 WeakPolarHBondContact O-CD1 3.13Å; R1430-I1434 WeakPolarHBondContact O-CG1 3.42Å; R1430-I1434 PolarHBondContact O-N 3.06Å |
| 1431 | R | 76.8 | Confident | 76.5 | Confident | 164 Ų | 164 | 85.7 Ų | 85.7 | 62% | 0.619 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 175.1 | -78.7 | 179.9 | -67.2 | 163.7 | -2.7 | 111.8 | A1427 A1428 V1429 A1435 | A1427-R1431 VanDerWaalsContact O-CB 3.23Å; A1427-R1431 WeakPolarHBondContact O-CB 3.44Å; A1427-R1431 WeakPolarHBondContact O-CG 3.25Å; A1427-R1431 PolarHBondContact O-N 3.42Å; A1427-R1431 PolarHBondContact O-NE 2.91Å; A1428-R1431 PolarHBondContact O-N 3.22Å; V1429-R1431 PolarHBondContact O-N 2.66Å; R1431-A1435 WeakPolarHBondContact O-CA 3.38Å; R1431-A1435 WeakPolarHBondContact O-CB 3.33Å; R1431-A1435 PolarHBondContact O-N 3.39Å |
| 1432 | A | 74.7 | Confident | 74.8 | Confident | 59 Ų | 59 | 89 Ų | 89 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1428 V1429 R1430 A1435 A1436 | A1428-A1432 WeakPolarHBondContact O-CB 3.4Å; A1428-A1432 PolarHBondContact O-N 2.9Å; V1429-A1432 CarbonylContact O-C 3.46Å; V1429-A1432 WeakPolarHBondContact O-CB 3.48Å; V1429-A1432 PolarHBondContact O-N 2.93Å; V1429-A1432 VanDerWaalsContact O-N 3.1Å; R1430-A1432 VanDerWaalsContact C-N 3.33Å; R1430-A1432 PolarHBondContact O-N 3.12Å; A1432-A1435 CarbonylContact O-C 3.56Å; A1432-A1436 WeakPolarHBondContact O-CB 3.43Å; A1432-A1436 PolarHBondContact O-N 3.2Å |
| 1433 | E | 75.9 | Confident | 73.1 | Confident | 105 Ų | 105 | 91.6 Ų | 91.6 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 173.8 | -76.5 | -166.8 | 162.1 | 0 | 0 | 111.9 | V1429 R1430 A1435 A1436 K1437 | V1429-E1433 HydrophobicContact CG1-CG 4.41Å; V1429-E1433 WeakPolarHBondContact O-CB 3.48Å; V1429-E1433 WeakPolarHBondContact O-CG 3.18Å; V1429-E1433 PolarHBondContact O-N 2.99Å; R1430-E1433 PolarHBondContact O-N 2.86Å; E1433-A1435 VanDerWaalsContact C-N 3.33Å; E1433-A1436 CarbonylContact O-C 3.58Å; E1433-A1436 PolarHBondContact O-N 2.99Å; E1433-K1437 VanDerWaalsContact O-CB 3.3Å; E1433-K1437 WeakPolarHBondContact O-CB 3.25Å; E1433-K1437 VanDerWaalsContact O-CG 3.29Å; E1433-K1437 WeakPolarHBondContact O-CG 3.4Å; E1433-K1437 PolarHBondContact O-N 3.48Å |
| 1434 | I | 75.4 | Confident | 71.4 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 173.7 | -67.5 | 163.8 | 0 | 0 | 0 | 109.4 | R1430 A1436 K1437 T1438 | R1430-I1434 WeakPolarHBondContact O-CB 3.23Å; R1430-I1434 WeakPolarHBondContact O-CD1 3.13Å; R1430-I1434 WeakPolarHBondContact O-CG1 3.42Å; R1430-I1434 PolarHBondContact O-N 3.06Å; I1434-A1436 VanDerWaalsContact C-N 3.34Å; I1434-A1436 PolarHBondContact O-N 3.35Å; I1434-K1437 PolarHBondContact O-N 3.48Å; I1434-T1438 WeakPolarHBondContact O-CB 3.34Å; I1434-T1438 PolarHBondContact O-N 3.08Å; I1434-T1438 PolarHBondContact O-OG1 3.26Å |
| 1435 | A | 72.2 | Confident | 69.9 | Low | 51 Ų | 51 | 102 Ų | 102 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1431 A1432 E1433 T1438 A1439 | R1431-A1435 WeakPolarHBondContact O-CA 3.38Å; R1431-A1435 WeakPolarHBondContact O-CB 3.33Å; R1431-A1435 PolarHBondContact O-N 3.39Å; A1432-A1435 CarbonylContact O-C 3.56Å; E1433-A1435 VanDerWaalsContact C-N 3.33Å; A1435-T1438 VanDerWaalsContact CA-OG1 3.26Å; A1435-T1438 WeakPolarHBondContact CA-OG1 3.44Å; A1435-T1438 PolarHBondContact O-OG1 3.43Å; A1435-A1439 WeakPolarHBondContact O-CA 3.33Å; A1435-A1439 WeakPolarHBondContact O-CB 3.42Å; A1435-A1439 PolarHBondContact O-N 2.89Å |
| 1436 | A | 70.3 | Confident | 68.2 | Low | 46 Ų | 46 | 103.1 Ų | 103.1 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1432 E1433 I1434 K1440 | A1432-A1436 WeakPolarHBondContact O-CB 3.43Å; A1432-A1436 PolarHBondContact O-N 3.2Å; E1433-A1436 CarbonylContact O-C 3.58Å; E1433-A1436 PolarHBondContact O-N 2.99Å; I1434-A1436 VanDerWaalsContact C-N 3.34Å; I1434-A1436 PolarHBondContact O-N 3.35Å; A1436-K1440 VanDerWaalsContact O-CB 3.23Å; A1436-K1440 WeakPolarHBondContact O-CB 3.37Å; A1436-K1440 VanDerWaalsContact O-CG 3.26Å; A1436-K1440 WeakPolarHBondContact O-CG 3.4Å; A1436-K1440 PolarHBondContact O-N 3.23Å |
| 1437 | K | 72.1 | Confident | 66.1 | Low | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.9 | -46.8 | 172.7 | -76.5 | 175.1 | 179.2 | 173.6 | 0 | 110.3 | E1433 I1434 K1440 Q1441 | E1433-K1437 VanDerWaalsContact O-CB 3.3Å; E1433-K1437 WeakPolarHBondContact O-CB 3.25Å; E1433-K1437 VanDerWaalsContact O-CG 3.29Å; E1433-K1437 WeakPolarHBondContact O-CG 3.4Å; E1433-K1437 PolarHBondContact O-N 3.48Å; I1434-K1437 PolarHBondContact O-N 3.48Å; K1437-K1440 PolarHBondContact O-N 3.38Å; K1437-Q1441 WeakPolarHBondContact O-CG 3.37Å; K1437-Q1441 PolarHBondContact O-N 2.62Å |
| 1438 | T | 71.3 | Confident | 64.1 | Low | 62 Ų | 62 | 112.2 Ų | 112.2 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.1 | -35.7 | 175.6 | 39.5 | 0 | 0 | 0 | 0 | 113.1 | I1434 A1435 Q1441 R1442 | I1434-T1438 WeakPolarHBondContact O-CB 3.34Å; I1434-T1438 PolarHBondContact O-N 3.08Å; I1434-T1438 PolarHBondContact O-OG1 3.26Å; A1435-T1438 VanDerWaalsContact CA-OG1 3.26Å; A1435-T1438 WeakPolarHBondContact CA-OG1 3.44Å; A1435-T1438 PolarHBondContact O-OG1 3.43Å; T1438-Q1441 CarbonylContact O-C 3.58Å; T1438-Q1441 PolarHBondContact O-N 3.41Å; T1438-R1442 WeakPolarHBondContact O-CB 3.45Å; T1438-R1442 PolarHBondContact O-N 3.04Å |
| 1439 | A | 61.6 | Low | 62.2 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -36.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1435 Q1441 S1443 | A1435-A1439 WeakPolarHBondContact O-CA 3.33Å; A1435-A1439 WeakPolarHBondContact O-CB 3.42Å; A1435-A1439 PolarHBondContact O-N 2.89Å; A1439-Q1441 VanDerWaalsContact C-N 3.33Å; A1439-S1443 WeakPolarHBondContact O-CB 3.36Å; A1439-S1443 PolarHBondContact O-N 3.45Å |
| 1440 | K | 62.1 | Low | 60.2 | Low | 123 Ų | 123 | 118 Ų | 118 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.1 | -36.6 | 170 | -81.9 | 173.5 | 178.1 | 175.5 | 0 | 111.7 | A1436 K1437 R1444 | A1436-K1440 VanDerWaalsContact O-CB 3.23Å; A1436-K1440 WeakPolarHBondContact O-CB 3.37Å; A1436-K1440 VanDerWaalsContact O-CG 3.26Å; A1436-K1440 WeakPolarHBondContact O-CG 3.4Å; A1436-K1440 PolarHBondContact O-N 3.23Å; K1437-K1440 PolarHBondContact O-N 3.38Å; K1440-R1444 PolarHBondContact O-N 3.48Å |
| 1441 | Q | 58.8 | Low | 57.9 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -46.7 | 173.1 | -76.7 | 176.6 | -22.7 | 0 | 0 | 112.4 | K1437 T1438 A1439 R1444 N1445 | K1437-Q1441 WeakPolarHBondContact O-CG 3.37Å; K1437-Q1441 PolarHBondContact O-N 2.62Å; T1438-Q1441 CarbonylContact O-C 3.58Å; T1438-Q1441 PolarHBondContact O-N 3.41Å; A1439-Q1441 VanDerWaalsContact C-N 3.33Å; Q1441-R1444 WeakPolarHBondContact O-CB 3.22Å; Q1441-R1444 PolarHBondContact O-N 3.26Å; Q1441-R1444 VanDerWaalsContact O-N 3.11Å; Q1441-N1445 PolarHBondContact O-N 3.17Å |
| 1442 | R | 55.1 | Low | 55.8 | Low | 191 Ų | 191 | 112.2 Ų | 112.2 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.4 | -36.2 | 177 | -79.9 | -176.9 | 168.1 | 179.2 | -2.8 | 112.8 | T1438 R1444 N1445 N1446 | T1438-R1442 WeakPolarHBondContact O-CB 3.45Å; T1438-R1442 PolarHBondContact O-N 3.04Å; R1442-R1444 VanDerWaalsContact C-N 3.26Å; R1442-R1444 PolarHBondContact O-N 3.21Å; R1442-N1445 PolarHBondContact O-N 3.32Å; R1442-N1446 WeakPolarHBondContact O-CB 3.4Å; R1442-N1446 PolarHBondContact O-N 2.79Å |
| 1443 | S | 51.7 | Low | 53.8 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66 | -28.4 | 172.1 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | A1439 | A1439-S1443 WeakPolarHBondContact O-CB 3.36Å; A1439-S1443 PolarHBondContact O-N 3.45Å |
| 1444 | R | 50.8 | Low | 51.6 | Low | 205 Ų | 205 | 118 Ų | 118 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.1 | -38.4 | 170 | -95 | 179.7 | 162.8 | 170.1 | -6.9 | 111.5 | K1440 Q1441 R1442 | K1440-R1444 PolarHBondContact O-N 3.48Å; Q1441-R1444 WeakPolarHBondContact O-CB 3.22Å; Q1441-R1444 PolarHBondContact O-N 3.26Å; Q1441-R1444 VanDerWaalsContact O-N 3.11Å; R1442-R1444 VanDerWaalsContact C-N 3.26Å; R1442-R1444 PolarHBondContact O-N 3.21Å |
| 1445 | N | 51.9 | Low | 49.4 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -40.2 | 176.8 | -89.8 | 27.1 | 0 | 0 | 0 | 114.5 | Q1441 R1442 R1447 A1448 | Q1441-N1445 PolarHBondContact O-N 3.17Å; R1442-N1445 PolarHBondContact O-N 3.32Å; N1445-R1447 PolarHBondContact O-N 3.11Å; N1445-A1448 WeakPolarHBondContact O-CB 3.48Å; N1445-A1448 PolarHBondContact O-N 3.15Å |
| 1446 | N | 48.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.7 | -11.8 | -177.1 | -84.4 | 8.5 | 0 | 0 | 0 | 114.1 | R1442 A1448 S1449 | R1442-N1446 WeakPolarHBondContact O-CB 3.4Å; R1442-N1446 PolarHBondContact O-N 2.79Å; N1446-A1448 PolarHBondContact O-N 2.88Å; N1446-S1449 PolarHBondContact O-N 3.22Å; N1446-S1449 VanDerWaalsContact O-O 3.09Å |
| 1447 | R | 38.2 | Very low | 45.5 | Very low | 230 Ų | 230 | 126.4 Ų | 126.4 | 87% | 0.868 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11 | 165.4 | -106.5 | -177.9 | 179 | 176 | -0.7 | 112.8 | N1445 | N1445-R1447 PolarHBondContact O-N 3.11Š|
| 1448 | A | 39.7 | Very low | 43.5 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -7.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1445 N1446 | N1445-A1448 WeakPolarHBondContact O-CB 3.48Å; N1445-A1448 PolarHBondContact O-N 3.15Å; N1446-A1448 PolarHBondContact O-N 2.88Å |
| 1449 | S | 39.8 | Very low | 41.7 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 46% | 0.462 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -151.9 | 135.1 | 177 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | N1446 | N1446-S1449 PolarHBondContact O-N 3.22Å; N1446-S1449 VanDerWaalsContact O-O 3.09Å |
| 1450 | H | 39.3 | Very low | 40.1 | Very low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | 97.9 | 70.6 | 170.3 | -60.6 | 64.4 | 0 | 0 | 0 | 117.2 | ||||
| 1451 | S | 29.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -69.6 | 149.6 | 135.2 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1452 | S | 32.7 | Very low | 37.3 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 89.9 | 97 | 174.5 | 76.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1453 | N | 33.9 | Very low | 36 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | -170 | 147.1 | 107.6 | -101 | -20.5 | 0 | 0 | 0 | 112.4 | |||||
| 1454 | V | 29.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -102.7 | 161.7 | -163.7 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1455 | T | 30 | Very low | 33.7 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | 97.3 | 118.4 | 154 | 65.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1456 | G | 29.2 | Very low | 32.6 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | 97.8 | 93.6 | 127.7 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 1457 | N | 31.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | 163.8 | 119.4 | 102.8 | -163.5 | 13 | 0 | 0 | 0 | 110.1 | |||||
| 1458 | N | 30.2 | Very low | 31 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -85.7 | 116.2 | -179.2 | -92.5 | -29.2 | 0 | 0 | 0 | 109.5 | ||||
| 1459 | N | 33.6 | Very low | 30.5 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -135.5 | 125.1 | 154.9 | -107 | -17 | 0 | 0 | 0 | 111 | ||||
| 1460 | K | 27.8 | Very low | 29.9 | Very low | 200 Ų | 200 | 161 Ų | 161 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | trans | -70.2 | 120.7 | -176.2 | -74.8 | 170.8 | 171.8 | 173 | 0 | 110.9 | ||||
| 1461 | V | 31.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 159.3 Ų | 159.3 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | trans | -138 | 111.6 | 137.6 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | R1463 | V1461-R1463 PolarHBondContact O-N 2.9Š| ||
| 1462 | T | 29 | Very low | 29.3 | Very low | 131 Ų | 131 | 159.7 Ų | 159.7 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -71 | 105.9 | -176.7 | 33 | 0 | 0 | 0 | 0 | 112 | ||||
| 1463 | R | 27.3 | Very low | 29 | Very low | 239 Ų | 239 | 163.8 Ų | 163.8 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.9 | 157.7 | -86 | 178.4 | 168.9 | 163.8 | -3.2 | 108.9 | V1461 | V1461-R1463 PolarHBondContact O-N 2.9Š|
| 1464 | K | 28.7 | Very low | 28.8 | Very low | 206 Ų | 206 | 162.5 Ų | 162.5 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 132.9 | 172.5 | -92.4 | 179.6 | 175.2 | 175 | 0 | 110.4 | ||
| 1465 | N | 26.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 161.4 Ų | 161.4 | 84% | 0.84 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.2 | -176.9 | -61.4 | -42.3 | 0 | 0 | 0 | 113.8 | ||
| 1466 | L | 29 | Very low | 28.8 | Very low | 176 Ų | 176 | 162.6 Ų | 162.6 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | trans | -113.7 | 123.5 | 147.9 | -100.6 | 92.1 | 0 | 0 | 0 | 109.3 | ||||
| 1467 | R | 25.2 | Very low | 28.9 | Very low | 249 Ų | 249 | 166.7 Ų | 166.7 | 94% | 0.94 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.4 | -179.6 | -93.3 | 170.1 | 160.4 | 165.9 | -7.3 | 111.1 | ||
| 1468 | R | 27.3 | Very low | 28.6 | Very low | 242 Ų | 242 | 168.2 Ų | 168.2 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 116.5 | 163.4 | -131.5 | 174.1 | -174.8 | 165.7 | 1.1 | 107.5 | ||
| 1469 | T | 29.5 | Very low | 28.5 | Very low | 132 Ų | 132 | 166.3 Ų | 166.3 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 135.8 | 167.4 | 40.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1470 | T | 27.5 | Very low | 28.1 | Very low | 141 Ų | 141 | 165.7 Ų | 165.7 | 87% | 0.865 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 123.4 | -171.2 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1471 | T | 26.8 | Very low | 28.1 | Very low | 142 Ų | 142 | 164.3 Ų | 164.3 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 116.7 | 164.2 | 24.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1472 | S | 28.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 164.1 Ų | 164.1 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125 | 171 | 45.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1473 | R | 26 | Very low | 27.8 | Very low | 186 Ų | 186 | 166.3 Ų | 166.3 | 70% | 0.702 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 125.7 | 172.6 | -76.4 | 167 | 70.4 | 141.1 | 2.7 | 109.3 | ||
| 1474 | T | 30 | Very low | 27.7 | Very low | 137 Ų | 137 | 162 Ų | 162 | 84% | 0.84 | 84% | 0.838 | S | S | * | * | trans | -111.7 | 128.1 | 155.8 | 36 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1475 | A | 30.4 | Very low | 27.8 | Very low | 99 Ų | 99 | 159 Ų | 159 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 135.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1476 | I | 28.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 158.8 Ų | 158.8 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 123.4 | 173.5 | -63.5 | 160.4 | 0 | 0 | 0 | 106.8 | ||
| 1477 | L | 31.1 | Very low | 27.8 | Very low | 166 Ų | 166 | 159.8 Ų | 159.8 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 128.4 | 166.8 | -76.2 | 168.7 | 0 | 0 | 0 | 107 | ||
| 1478 | E | 25.4 | Very low | 27.8 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 131.5 | 170.1 | -68.5 | 161.5 | 163.8 | 0 | 0 | 108.9 | ||
| 1479 | S | 27.8 | Very low | 28 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -149.9 | 117.9 | 160.2 | 57.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1480 | D | 25.5 | Very low | 27.9 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -70.6 | 166.7 | 169.9 | -60.8 | -59.8 | 0 | 0 | 0 | 111.7 | ||||
| 1481 | E | 27.5 | Very low | 27.9 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | 83.5 | 108.5 | 157.1 | -65.8 | 172.6 | -174.6 | 0 | 0 | 119.4 | ||||
| 1482 | D | 26 | Very low | 28.1 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | 76.6 | 137.2 | 127.2 | -56.5 | -30.1 | 0 | 0 | 0 | 123.6 | |||||
| 1483 | E | 28.7 | Very low | 27.9 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | 80.1 | 107 | 152.6 | -71.4 | 175.1 | -177.1 | 0 | 0 | 121.3 | ||||
| 1484 | D | 25.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | 55.8 | 147.1 | 130.4 | -69.7 | -28.9 | 0 | 0 | 0 | 124.2 | ||||
| 1485 | D | 31.6 | Very low | 27.9 | Very low | 141 Ų | 141 | 155.3 Ų | 155.3 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | trans | 91.7 | 95.8 | 160.9 | -65.2 | -32.7 | 0 | 0 | 0 | 121.2 | ||||
| 1486 | N | 25.3 | Very low | 27.6 | Very low | 153 Ų | 153 | 159.1 Ų | 159.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | 26.2 | 105.8 | 124.7 | -69.1 | -45.3 | 0 | 0 | 0 | 118.8 | |||||
| 1487 | E | 30.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 160.9 Ų | 160.9 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -155.5 | 132.9 | 138.1 | -125.4 | -179.7 | -176.6 | 0 | 0 | 114 | G1489 | E1487-G1489 PolarHBondContact O-N 3.14Š| ||
| 1488 | I | 25.7 | Very low | 27.2 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 89% | 0.892 | 83% | 0.831 | S | S | * | * | trans | -80.7 | 107.1 | -173.4 | -66.8 | 165 | 0 | 0 | 0 | 109.5 | ||||
| 1489 | G | 30 | Very low | 27.3 | Very low | 73 Ų | 73 | 157.8 Ų | 157.8 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 119.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1487 | E1487-G1489 PolarHBondContact O-N 3.14Š|
| 1490 | K | 28 | Very low | 27.2 | Very low | 203 Ų | 203 | 164 Ų | 164 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.2 | -176.1 | -73.9 | 170.2 | 175.2 | 170.8 | 0 | 115.7 | ||
| 1491 | I | 27.1 | Very low | 27.3 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.9 | 175.8 | -59.4 | 159.2 | 0 | 0 | 0 | 111.3 | ||
| 1492 | P | 30.8 | Very low | 27.3 | Very low | 113 Ų | 113 | 162 Ų | 162 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 131.3 | 175 | 17.1 | -5.3 | 0 | 0 | 0 | 112.6 | ||
| 1493 | T | 25.8 | Very low | 27.2 | Very low | 144 Ų | 144 | 166 Ų | 166 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.1 | 179 | 40 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1494 | V | 29.9 | Very low | 27.3 | Very low | 145 Ų | 145 | 162.3 Ų | 162.3 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 120.7 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1495 | R | 25.3 | Very low | 27.3 | Very low | 238 Ų | 238 | 164.8 Ų | 164.8 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 126.3 | -176 | -151.2 | 173.4 | -174 | 169.5 | 1.9 | 110.7 | ||
| 1496 | E | 23.4 | Very low | 27.2 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -53 | 132.2 | 179.5 | -62 | 174.8 | 150 | 0 | 0 | 113.6 | ||
| 1497 | K | 27 | Very low | 27.2 | Very low | 199 Ų | 199 | 166 Ų | 166 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | trans | -126.2 | 98.8 | 163.9 | -86.2 | -174 | 177.8 | 175.7 | 0 | 110.6 | T1499 | K1497-T1499 PolarHBondContact O-N 3.43Š| ||
| 1498 | N | 24.3 | Very low | 27.1 | Very low | 157 Ų | 157 | 162.4 Ų | 162.4 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -50.6 | 116.4 | 164.4 | -75.3 | -35.8 | 0 | 0 | 0 | 111.7 | ||||
| 1499 | T | 28.5 | Very low | 27.1 | Very low | 134 Ų | 134 | 166 Ų | 166 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -128.9 | 128.7 | 160.4 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | K1497 | K1497-T1499 PolarHBondContact O-N 3.43Š| ||
| 1500 | R | 24.1 | Very low | 27.2 | Very low | 249 Ų | 249 | 169.4 Ų | 169.4 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | trans | -62 | 130.1 | -169.1 | -103.4 | 165.2 | 156.8 | 167.3 | -7.1 | 112.6 | ||||
| 1501 | T | 27.7 | Very low | 27.2 | Very low | 136 Ų | 136 | 164 Ų | 164 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -72.8 | 115.3 | 167.4 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | R1503 | T1501-R1503 PolarHBondContact O-N 3.26Š| ||
| 1502 | T | 28.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 166.1 Ų | 166.1 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -84.5 | 108.4 | 164 | 39.4 | 0 | 0 | 0 | 0 | 109.7 | A1504 | T1502-A1504 PolarHBondContact O-N 3.38Š| ||
| 1503 | R | 24.3 | Very low | 27.1 | Very low | 221 Ų | 221 | 165.4 Ų | 165.4 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -58.9 | 119.7 | 172.9 | -72.5 | 168.7 | 166.6 | 166.1 | -4 | 111.6 | T1501 | T1501-R1503 PolarHBondContact O-N 3.26Š| ||
| 1504 | A | 30.2 | Very low | 27.3 | Very low | 101 Ų | 101 | 162.8 Ų | 162.8 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -119.3 | 104.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | T1502 A1506 | T1502-A1504 PolarHBondContact O-N 3.38Å; A1504-A1506 PolarHBondContact O-N 3.41Å | ||
| 1505 | R | 25.3 | Very low | 27.4 | Very low | 201 Ų | 201 | 162.5 Ų | 162.5 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 111.4 | 179.1 | -79.9 | 169.7 | 163.7 | 163.3 | -6.6 | 109.2 | ||||
| 1506 | A | 29.2 | Very low | 27.7 | Very low | 93 Ų | 93 | 158.5 Ų | 158.5 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -113.6 | 104.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | A1504 T1508 | A1504-A1506 PolarHBondContact O-N 3.41Å; A1506-T1508 PolarHBondContact O-N 3.09Å | ||
| 1507 | R | 25.1 | Very low | 28.2 | Very low | 227 Ų | 227 | 158.2 Ų | 158.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -76.7 | 105 | 177.2 | -80 | 171.7 | 162.8 | 169.4 | -7 | 108.2 | ||||
| 1508 | T | 29.5 | Very low | 28.5 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 99.4 | 159.7 | -16.1 | 0 | 0 | 0 | 0 | 107.2 | A1506 I1510 | A1506-T1508 PolarHBondContact O-N 3.09Å; T1508-I1510 PolarHBondContact O-N 2.93Å | ||
| 1509 | R | 26.2 | Very low | 28.7 | Very low | 248 Ų | 248 | 157.5 Ų | 157.5 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -77 | 95.6 | 177.1 | -137.1 | -178.1 | -170.2 | 176 | -1.1 | 105.9 | ||||
| 1510 | I | 30.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 164 Ų | 164 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | trans | -100.8 | 103.6 | 166.8 | -60.5 | 175.4 | 0 | 0 | 0 | 104.8 | T1508 | T1508-I1510 PolarHBondContact O-N 2.93Š| ||
| 1511 | A | 29.4 | Very low | 29.1 | Very low | 90 Ų | 90 | 159.8 Ų | 159.8 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 125.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S1513 | A1511-S1513 PolarHBondContact O-N 3.35Š| ||
| 1512 | F | 26.1 | Very low | 29.2 | Very low | 206 Ų | 206 | 161.1 Ų | 161.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | -65.3 | 109.1 | 162.7 | -80.9 | -101.3 | 0 | 0 | 0 | 107.5 | ||||
| 1513 | S | 29 | Very low | 29.2 | Very low | 97 Ų | 97 | 162.2 Ų | 162.2 | 68% | 0.678 | 83% | 0.828 | S | S | * | * | trans | -98.1 | 99.4 | 158.3 | -155.7 | 0 | 0 | 0 | 0 | 105.7 | A1511 D1515 | A1511-S1513 PolarHBondContact O-N 3.35Å; S1513-D1515 PolarHBondContact O-N 3.09Å | ||
| 1514 | S | 29.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 158.7 Ų | 158.7 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | trans | -78.8 | 89.6 | 164.2 | 51.9 | 0 | 0 | 0 | 0 | 106.9 | D1516 | S1514-D1516 PolarHBondContact O-N 3.49Š| ||
| 1515 | D | 31.7 | Very low | 29.5 | Very low | 139 Ų | 139 | 162.3 Ų | 162.3 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -91.5 | 94.1 | 161.4 | -73.3 | -30.1 | 0 | 0 | 0 | 106.4 | S1513 E1517 | S1513-D1515 PolarHBondContact O-N 3.09Å; D1515-E1517 VanDerWaalsContact C-N 3.34Å; D1515-E1517 PolarHBondContact O-N 3.15Å | ||
| 1516 | D | 32.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 159.7 Ų | 159.7 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -71.9 | 87.6 | 164.8 | -70.4 | -46.9 | 0 | 0 | 0 | 108.1 | S1514 | S1514-D1516 PolarHBondContact O-N 3.49Š| ||
| 1517 | E | 33.6 | Very low | 29.8 | Very low | 172 Ų | 172 | 164.5 Ų | 164.5 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -137.8 | 105.4 | 161 | -75.5 | -169.3 | 168 | 0 | 0 | 107.5 | D1515 | D1515-E1517 VanDerWaalsContact C-N 3.34Å; D1515-E1517 PolarHBondContact O-N 3.15Å | ||
| 1518 | D | 34.4 | Very low | 30.1 | Very low | 170 Ų | 170 | 159.7 Ų | 159.7 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -172.2 | 89.9 | 142.5 | -88 | -23.9 | 0 | 0 | 0 | 108 | ||||
| 1519 | N | 27.3 | Very low | 30.2 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -75.8 | 107.5 | 152.6 | -85.1 | -40 | 0 | 0 | 0 | 107.2 | ||||
| 1520 | E | 32 | Very low | 30.5 | Very low | 271 Ų | 271 | 155.1 Ų | 155.1 | 100% | 1.266 | 83% | 0.833 | S | S | * | * | trans | -158.6 | 0 | 146.1 | -113.8 | -179.4 | -166.6 | 0 | 0 | 110.9 |
Retrieved 1,520 of 1,520 residues in 1212.1 ms
(Link to these results)