| 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 | 66 | Low | 85.5 | Confident | 137 Ų | 137 | 59.3 Ų | 59.3 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | 0 | 137.6 | 0 | -165.6 | 178 | -89.6 | 0 | 0 | 107.3 | L53 | M1-L53 HydrophobicContact CE-CB 4.08Å; M1-L53 HydrophobicContact CE-CD1 3.86Å; M1-L53 HydrophobicContact CE-CG 4.42Å; M1-L53 HydrophobicContact SD-CB 4.44Å; M1-L53 HydrophobicContact SD-CD1 4.04Å; M1-L53 HydrophobicContact SD-CD2 3.97Å; M1-L53 HydrophobicContact SD-CG 4.39Å | |||
| 2 | S | 80.6 | Confident | 85.7 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | trans | -66.5 | 146.2 | 174.4 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | N20 N116 | S2-N20 CarbonylContact C-O 3.55Å; S2-N20 VanDerWaalsContact CA-O 3.28Å; S2-N20 WeakPolarHBondContact CA-O 3.49Å; S2-N20 VanDerWaalsContact CB-O 3.28Å; S2-N20 WeakPolarHBondContact CB-O 3.33Å; S2-N116 PolarHBondContact O-ND2 2.68Å; S2-N116 VanDerWaalsContact O-ND2 3.12Å | ||
| 3 | E | 87.2 | Confident | 86 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 135.2 | 178 | 179.4 | 162.2 | -150 | 0 | 0 | 110.7 | I5 N20 A21 Y22 R115 | E3-I5 HydrophobicContact CG-CG1 4.43Å; E3-I5 PolarHBondContact O-N 3.32Å; E3-N20 PolarHBondContact N-O 3.06Å; E3-A21 CarbonylContact O-C 3.4Å; E3-A21 WeakPolarHBondContact O-CA 3.5Å; E3-Y22 PolarHBondContact O-N 3.2Å; E3-R115 IonicContact OE1-CZ 3.32Å; E3-R115 IonicContact OE1-NH2 2.85Å; E3-R115 PolarHBondContact OE1-NH2 3.35Å |
| 4 | F | 92.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -84.5 | 108.9 | 172.9 | -171.7 | -95.7 | 0 | 0 | 0 | 109.5 | I6 L13 Y22 F56 N116 K119 M120 Y123 | F4-I6 HydrophobicContact CE1-CG1 4.4Å; F4-L13 HydrophobicContact CE2-CD2 3.83Å; F4-L13 HydrophobicContact CZ-CD2 4.32Å; F4-Y22 AromaticContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CG 4.04Å; F4-Y22 HydrophobicContact CE2-CD1 4.12Å; F4-F56 HydrophobicContact CE2-CE1 4Å; F4-F56 AromaticContact CE2-CE2 3.84Å; F4-F56 HydrophobicContact CE2-CE2 3.84Å; F4-F56 AromaticContact CE2-CZ 3.56Å; F4-F56 HydrophobicContact CE2-CZ 3.56Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.72Å; F4-F56 HydrophobicContact CZ-CZ 3.72Å; F4-N116 HydrophobicContact CB-CB 4.25Å; F4-N116 PolarHBondContact N-OD1 3.23Å; F4-K119 HydrophobicContact CD1-CB 3.6Å; F4-K119 HydrophobicContact CD1-CD 4.41Å; F4-K119 HydrophobicContact CE1-CB 4.13Å; F4-K119 WeakPolarHBondContact O-CD 3.32Å; F4-K119 PolarHBondContact O-NZ 3.2Å; F4-M120 HydrophobicContact CB-CE 4.1Å; F4-M120 HydrophobicContact CB-CG 4.23Å; F4-M120 HydrophobicContact CD1-CG 3.98Å; F4-M120 HydrophobicContact CD2-CE 3.46Å; F4-M120 VanDerWaalsContact CD2-CE 3.46Å; F4-M120 HydrophobicContact CD2-CG 3.49Å; F4-M120 VanDerWaalsContact CD2-CG 3.49Å; F4-M120 HydrophobicContact CD2-SD 4.33Å; F4-M120 HydrophobicContact CE1-CG 4.17Å; F4-M120 HydrophobicContact CE2-CE 4.2Å; F4-M120 HydrophobicContact CE2-CG 3.72Å; F4-M120 HydrophobicContact CG-CE 4.04Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.05Å; F4-Y123 HydrophobicContact CZ-CD1 4.24Å; F4-Y123 HydrophobicContact CZ-CG 4.27Å | ||
| 5 | I | 90.9 | Very high | 86.1 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 127 | 173.9 | -56.3 | 179.6 | 0 | 0 | 0 | 107 | E3 P7 V18 A21 | E3-I5 HydrophobicContact CG-CG1 4.43Å; E3-I5 PolarHBondContact O-N 3.32Å; I5-P7 WeakPolarHBondContact O-CD 3.33Å; I5-V18 HydrophobicContact CD1-CB 4.2Å; I5-V18 HydrophobicContact CD1-CG1 4.07Å; I5-V18 HydrophobicContact CD1-CG2 4.39Å; I5-A21 HydrophobicContact CD1-CB 3.77Å; I5-A21 HydrophobicContact CG1-CB 4.24Å |
| 6 | I | 91.5 | Very high | 85.5 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 122.6 | 180 | -64.8 | 167.7 | 0 | 0 | 0 | 108.1 | F4 K119 D204 F205 L208 | F4-I6 HydrophobicContact CE1-CG1 4.4Å; I6-K119 HydrophobicContact CD1-CD 4.46Å; I6-K119 HydrophobicContact CD1-CG 4.36Å; I6-K119 HydrophobicContact CG1-CB 4.44Å; I6-K119 HydrophobicContact CG1-CD 4.37Å; I6-D204 HydrophobicContact CB-CB 4.32Å; I6-D204 HydrophobicContact CD1-CB 4.16Å; I6-F205 HydrophobicContact CD1-CB 3.77Å; I6-F205 HydrophobicContact CD1-CD2 4.34Å; I6-L208 HydrophobicContact CD1-CD1 3.69Å; I6-L208 HydrophobicContact CD1-CG 4.4Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.99Å; I6-L208 HydrophobicContact CG2-CD2 4.02Å; I6-L208 HydrophobicContact CG2-CG 4.12Å |
| 7 | P | 89.6 | Confident | 84.5 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 145.9 | -175.5 | 34 | -38.8 | 0 | 0 | 0 | 111.2 | I5 A9 D12 L13 Y123 | I5-P7 WeakPolarHBondContact O-CD 3.33Å; P7-A9 WeakPolarHBondContact CB-O 3.47Å; P7-D12 HydrophobicContact CB-CB 3.99Å; P7-L13 HydrophobicContact CB-CD1 4.48Å; P7-L13 HydrophobicContact CB-CG 3.97Å; P7-L13 HydrophobicContact CG-CD1 3.74Å; P7-L13 HydrophobicContact CG-CD2 4.36Å; P7-L13 HydrophobicContact CG-CG 3.76Å; P7-Y123 HydrophobicContact CG-CD2 4.1Å; P7-Y123 HydrophobicContact CG-CE1 4.36Å; P7-Y123 HydrophobicContact CG-CE2 3.37Å |
| 8 | V | 83.6 | Confident | 84 | Confident | 148 Ų | 148 | 70.9 Ų | 70.9 | 90% | 0.897 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.2 | -43.1 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | D12 | V8-D12 PolarHBondContact N-OD2 3.2Š|
| 9 | A | 84.9 | Confident | 83.6 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -121.6 | 143.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P7 A11 D12 | P7-A9 WeakPolarHBondContact CB-O 3.47Å; A9-A11 PolarHBondContact O-N 3.25Å; A9-D12 PolarHBondContact N-OD2 2.83Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.49Å; A9-D12 PolarHBondContact O-N 2.94Å |
| 10 | K | 86.6 | Confident | 83.5 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -49.4 | -34.3 | 177.6 | -174.1 | -175.9 | -72.7 | 174.8 | 0 | 112.9 | D12 L13 F60 L63 M131 | K10-D12 VanDerWaalsContact C-N 3.25Å; K10-D12 PolarHBondContact O-N 3.14Å; K10-L13 PolarHBondContact O-N 2.79Å; K10-F60 HydrophobicContact CD-CE2 4.42Å; K10-F60 HydrophobicContact CG-CE2 3.59Å; K10-F60 HydrophobicContact CG-CZ 3.81Å; K10-F60 WeakPolarHBondContact O-CZ 3.49Å; K10-L63 HydrophobicContact CD-CB 4.35Å; K10-L63 PolarHBondContact NZ-O 2.75Å; K10-M131 PolarHBondContact NZ-SD 2.83Å |
| 11 | A | 86.9 | Confident | 83.7 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -67.8 | -18.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A9 L13 L14 | A9-A11 PolarHBondContact O-N 3.25Å; A11-L13 VanDerWaalsContact C-N 3.25Å; A11-L13 PolarHBondContact O-N 3.41Å; A11-L14 WeakPolarHBondContact O-CB 3.15Å; A11-L14 PolarHBondContact O-N 3.38Å |
| 12 | D | 88.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -68.9 | -27.3 | 179.4 | -60.9 | -27.5 | 0 | 0 | 0 | 111.4 | P7 V8 A9 K10 L14 K15 | P7-D12 HydrophobicContact CB-CB 3.99Å; V8-D12 PolarHBondContact N-OD2 3.2Å; A9-D12 PolarHBondContact N-OD2 2.83Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.49Å; A9-D12 PolarHBondContact O-N 2.94Å; K10-D12 VanDerWaalsContact C-N 3.25Å; K10-D12 PolarHBondContact O-N 3.14Å; D12-L14 PolarHBondContact O-N 3.47Å; D12-K15 PolarHBondContact O-N 3.4Å; D12-K15 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 90.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -68.7 | -10.9 | 174.5 | -75.2 | 171.6 | 0 | 0 | 0 | 113.8 | F4 P7 K10 A11 Y22 V23 V24 F56 F60 Y123 | F4-L13 HydrophobicContact CE2-CD2 3.83Å; F4-L13 HydrophobicContact CZ-CD2 4.32Å; P7-L13 HydrophobicContact CB-CD1 4.48Å; P7-L13 HydrophobicContact CB-CG 3.97Å; P7-L13 HydrophobicContact CG-CD1 3.74Å; P7-L13 HydrophobicContact CG-CD2 4.36Å; P7-L13 HydrophobicContact CG-CG 3.76Å; K10-L13 PolarHBondContact O-N 2.79Å; A11-L13 VanDerWaalsContact C-N 3.25Å; A11-L13 PolarHBondContact O-N 3.41Å; L13-Y22 HydrophobicContact CD2-CD1 4.48Å; L13-V23 WeakPolarHBondContact O-CA 3.4Å; L13-V23 WeakPolarHBondContact O-CG1 3.48Å; L13-V24 HydrophobicContact CB-CG2 4.04Å; L13-V24 PolarHBondContact O-N 2.99Å; L13-F56 HydrophobicContact CD1-CE1 3.96Å; L13-F56 HydrophobicContact CD1-CZ 3.88Å; L13-F60 HydrophobicContact CB-CE2 3.91Å; L13-F60 HydrophobicContact CB-CZ 3.93Å; L13-F60 HydrophobicContact CD1-CD2 3.74Å; L13-F60 HydrophobicContact CD1-CE2 3.42Å; L13-F60 VanDerWaalsContact CD1-CE2 3.42Å; L13-F60 HydrophobicContact CD1-CZ 4.3Å; L13-F60 HydrophobicContact CG-CE2 4.3Å; L13-Y123 HydrophobicContact CD1-CD1 4.41Å; L13-Y123 HydrophobicContact CD1-CE1 3.64Å |
| 14 | L | 89.2 | Confident | 85.3 | Confident | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -94.9 | -8.2 | 175.4 | -61.5 | 173.5 | 0 | 0 | 0 | 112.7 | A11 D12 V24 V27 F60 H64 | A11-L14 WeakPolarHBondContact O-CB 3.15Å; A11-L14 PolarHBondContact O-N 3.38Å; D12-L14 PolarHBondContact O-N 3.47Å; L14-V24 HydrophobicContact CD2-CB 4.27Å; L14-V24 HydrophobicContact CD2-CG1 4.33Å; L14-V27 HydrophobicContact CD2-CG2 3.54Å; L14-F60 HydrophobicContact CD2-CE1 3.95Å; L14-F60 HydrophobicContact CG-CE1 4.36Å; L14-H64 VanDerWaalsContact CD1-CE1 3.49Å; L14-H64 WeakPolarHBondContact CD1-CE1 3.28Å |
| 15 | K | 83.1 | Confident | 84.9 | Confident | 141 Ų | 141 | 69.1 Ų | 69.1 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -122.3 | 126 | -174.8 | -64.2 | 178 | -175.7 | 172.7 | 0 | 109.5 | D12 S17 | D12-K15 PolarHBondContact O-N 3.4Å; D12-K15 VanDerWaalsContact O-N 3.14Å; K15-S17 VanDerWaalsContact C-N 3.34Å; K15-S17 PolarHBondContact O-N 3.48Å |
| 16 | R | 76.4 | Confident | 84.5 | Confident | 177 Ų | 177 | 69.9 Ų | 69.9 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | trans | -77.4 | 84.1 | 173.8 | -164.4 | 172.6 | -95.7 | -177.9 | -3.2 | 110.5 | V23 | R16-V23 HydrophobicContact CB-CG2 3.78Å; R16-V23 HydrophobicContact CG-CG2 3.92Å | ||
| 17 | S | 68.7 | Low | 84.4 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | trans | -82.3 | -34.1 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | K15 | K15-S17 VanDerWaalsContact C-N 3.34Å; K15-S17 PolarHBondContact O-N 3.48Å | ||
| 18 | V | 76.5 | Confident | 84.4 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -117.5 | 133.2 | -177.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | I5 N20 A21 | I5-V18 HydrophobicContact CD1-CB 4.2Å; I5-V18 HydrophobicContact CD1-CG1 4.07Å; I5-V18 HydrophobicContact CD1-CG2 4.39Å; V18-N20 PolarHBondContact O-N 3.33Å; V18-A21 HydrophobicContact CB-CB 3.94Å; V18-A21 HydrophobicContact CG1-CB 4.46Å; V18-A21 WeakPolarHBondContact O-CB 3.28Å; V18-A21 PolarHBondContact O-N 2.53Å |
| 19 | S | 77 | Confident | 84.6 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 126.2 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | A21 | S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 3.12Å |
| 20 | N | 81.2 | Confident | 84.7 | Confident | 119 Ų | 119 | 66.2 Ų | 66.2 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 9.5 | -179.4 | -155.7 | 39.8 | 0 | 0 | 0 | 116.5 | S2 E3 V18 | S2-N20 CarbonylContact C-O 3.55Å; S2-N20 VanDerWaalsContact CA-O 3.28Å; S2-N20 WeakPolarHBondContact CA-O 3.49Å; S2-N20 VanDerWaalsContact CB-O 3.28Å; S2-N20 WeakPolarHBondContact CB-O 3.33Å; E3-N20 PolarHBondContact N-O 3.06Å; V18-N20 PolarHBondContact O-N 3.33Å |
| 21 | A | 86.5 | Confident | 84.7 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 147.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E3 I5 V18 S19 | E3-A21 CarbonylContact O-C 3.4Å; E3-A21 WeakPolarHBondContact O-CA 3.5Å; I5-A21 HydrophobicContact CD1-CB 3.77Å; I5-A21 HydrophobicContact CG1-CB 4.24Å; V18-A21 HydrophobicContact CB-CB 3.94Å; V18-A21 HydrophobicContact CG1-CB 4.46Å; V18-A21 WeakPolarHBondContact O-CB 3.28Å; V18-A21 PolarHBondContact O-N 2.53Å; S19-A21 VanDerWaalsContact C-N 3.32Å; S19-A21 PolarHBondContact O-N 3.12Å |
| 22 | Y | 90.3 | Very high | 84.8 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 10% | 0.102 | 40% | 0.395 | C | S | . | . | trans | -63.6 | 136.9 | 171.2 | -176.2 | -86 | 0 | 0 | 0 | 110 | E3 F4 L13 V24 F56 D57 M120 | E3-Y22 PolarHBondContact O-N 3.2Å; F4-Y22 AromaticContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CD1 3.83Å; F4-Y22 HydrophobicContact CD2-CG 4.04Å; F4-Y22 HydrophobicContact CE2-CD1 4.12Å; L13-Y22 HydrophobicContact CD2-CD1 4.48Å; Y22-V24 HydrophobicContact CE1-CG2 4.21Å; Y22-F56 AromaticContact CE1-CD1 3.56Å; Y22-F56 HydrophobicContact CE1-CD1 3.56Å; Y22-F56 HydrophobicContact CE1-CE1 4.03Å; Y22-F56 HydrophobicContact CE1-CG 4.31Å; Y22-F56 AromaticContact CZ-CD1 3.98Å; Y22-D57 PolarHBondContact OH-OD1 2.95Å; Y22-M120 HydrophobicContact CD1-CE 3.97Å; Y22-M120 HydrophobicContact CD2-CE 3.49Å; Y22-M120 VanDerWaalsContact CD2-CE 3.49Å; Y22-M120 HydrophobicContact CE1-CE 4.05Å; Y22-M120 HydrophobicContact CE2-CE 3.54Å; Y22-M120 HydrophobicContact CG-CE 3.71Å | ||
| 23 | V | 87.8 | Confident | 84.9 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | trans | -138.2 | 141.4 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 106 | L13 R16 N25 | L13-V23 WeakPolarHBondContact O-CA 3.4Å; L13-V23 WeakPolarHBondContact O-CG1 3.48Å; R16-V23 HydrophobicContact CB-CG2 3.78Å; R16-V23 HydrophobicContact CG-CG2 3.92Å; V23-N25 PolarHBondContact O-N 2.83Å; V23-N25 PolarHBondContact O-ND2 2.93Å | ||
| 24 | V | 89.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 81.6 Ų | 81.6 | 6% | 0.061 | 41% | 0.412 | C | S | . | . | trans | -65.3 | 118 | 175 | 172.8 | 0 | 0 | 0 | 0 | 107.9 | L13 L14 Y22 V27 F56 D57 F60 | L13-V24 HydrophobicContact CB-CG2 4.04Å; L13-V24 PolarHBondContact O-N 2.99Å; L14-V24 HydrophobicContact CD2-CB 4.27Å; L14-V24 HydrophobicContact CD2-CG1 4.33Å; Y22-V24 HydrophobicContact CE1-CG2 4.21Å; V24-V27 HydrophobicContact CG1-CG2 4.08Å; V24-F56 HydrophobicContact CG2-CD1 4.17Å; V24-F56 HydrophobicContact CG2-CE1 3.95Å; V24-D57 WeakPolarHBondContact CA-OD1 3.27Å; V24-D57 HydrophobicContact CG1-CB 4.21Å; V24-F60 HydrophobicContact CB-CD1 4.19Å; V24-F60 HydrophobicContact CB-CE1 4.33Å; V24-F60 HydrophobicContact CG1-CD1 3.84Å; V24-F60 HydrophobicContact CG1-CE1 4.23Å; V24-F60 HydrophobicContact CG2-CB 4.31Å; V24-F60 HydrophobicContact CG2-CD1 3.57Å; V24-F60 HydrophobicContact CG2-CD2 4.3Å; V24-F60 HydrophobicContact CG2-CE1 3.89Å; V24-F60 HydrophobicContact CG2-CG 3.79Å; V24-F60 HydrophobicContact CG2-CZ 4.37Å | ||
| 25 | N | 83.7 | Confident | 84.8 | Confident | 127 Ų | 127 | 83.5 Ų | 83.5 | 68% | 0.679 | 42% | 0.423 | S | S | * | . | trans | -88.1 | -37 | -174.4 | -61.2 | -68.5 | 0 | 0 | 0 | 111.5 | V23 D57 | V23-N25 PolarHBondContact O-N 2.83Å; V23-N25 PolarHBondContact O-ND2 2.93Å; N25-D57 PolarHBondContact N-OD2 3.07Å | ||
| 26 | D | 83.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 80.3 Ų | 80.3 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | trans | -127.3 | 113 | -176.9 | -166.6 | 13.6 | 0 | 0 | 0 | 110.8 | I28 D57 | D26-I28 PolarHBondContact O-N 3.26Å; D26-D57 PolarHBondContact N-OD2 2.65Å | ||
| 27 | V | 88.4 | Confident | 86 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 30% | 0.297 | 38% | 0.377 | S | S | . | . | trans | -89.5 | 103 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | L14 V24 S29 S61 | L14-V27 HydrophobicContact CD2-CG2 3.54Å; V24-V27 HydrophobicContact CG1-CG2 4.08Å; V27-S29 PolarHBondContact O-N 3.1Å; V27-S61 WeakPolarHBondContact CA-OG 3.27Å | ||
| 28 | I | 90.2 | Very high | 87.1 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | trans | -71.4 | 122.4 | -173.6 | -55.6 | -179.5 | 0 | 0 | 0 | 109.5 | D26 N32 L33 Y36 T58 S61 | D26-I28 PolarHBondContact O-N 3.26Å; I28-N32 HydrophobicContact CG2-CB 3.53Å; I28-L33 HydrophobicContact CB-CD2 3.92Å; I28-L33 HydrophobicContact CG2-CD2 3.99Å; I28-L33 HydrophobicContact CG2-CG 4.26Å; I28-Y36 HydrophobicContact CD1-CD1 3.47Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.47Å; I28-Y36 HydrophobicContact CD1-CD2 4.4Å; I28-Y36 HydrophobicContact CD1-CE1 3.88Å; I28-Y36 HydrophobicContact CD1-CG 3.73Å; I28-Y36 HydrophobicContact CG2-CD2 4.13Å; I28-Y36 HydrophobicContact CG2-CE2 4.39Å; I28-Y36 HydrophobicContact CG2-CG 4.38Å; I28-T58 HydrophobicContact CD1-CG2 4.18Å; I28-S61 PolarHBondContact N-OG 2.9Å | ||
| 29 | S | 88.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | trans | -56.6 | 147.5 | 176.7 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | V27 R31 N32 L33 | V27-S29 PolarHBondContact O-N 3.1Å; S29-R31 PolarHBondContact O-N 2.67Å; S29-N32 WeakPolarHBondContact O-CA 3.5Å; S29-N32 WeakPolarHBondContact O-CB 3.19Å; S29-N32 PolarHBondContact O-N 3.29Å; S29-N32 PolarHBondContact OG-ND2 3.39Å; S29-L33 PolarHBondContact O-N 2.91Å | ||
| 30 | V | 86.5 | Confident | 88.6 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.1 | -41.5 | -178.3 | 179.8 | 0 | 0 | 0 | 0 | 113.4 | N32 L33 E65 N68 V69 | V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-N 3.41Å; V30-L33 PolarHBondContact O-N 3.16Å; V30-E65 HydrophobicContact CG2-CB 3.89Å; V30-E65 HydrophobicContact CG2-CG 4Å; V30-N68 WeakPolarHBondContact CG1-O 3.44Å; V30-N68 HydrophobicContact CG2-CB 3.8Å; V30-V69 HydrophobicContact CG1-CG2 4.31Å; V30-V69 HydrophobicContact CG2-CG2 4.25Å |
| 31 | R | 85.9 | Confident | 89.2 | Confident | 224 Ų | 224 | 65.2 Ų | 65.2 | 85% | 0.845 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.8 | -32.3 | 179.1 | -67.2 | -177.3 | -176.9 | 171 | 1.9 | 113 | S29 | S29-R31 PolarHBondContact O-N 2.67Å |
| 32 | N | 90.2 | Very high | 89.6 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -86.3 | -26.6 | -177.4 | -70.7 | -16.3 | 0 | 0 | 0 | 112.3 | I28 S29 V30 R34 N35 Y36 | I28-N32 HydrophobicContact CG2-CB 3.53Å; S29-N32 WeakPolarHBondContact O-CA 3.5Å; S29-N32 WeakPolarHBondContact O-CB 3.19Å; S29-N32 PolarHBondContact O-N 3.29Å; S29-N32 PolarHBondContact OG-ND2 3.39Å; V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-N 3.41Å; N32-R34 PolarHBondContact O-N 3.47Å; N32-R34 VanDerWaalsContact O-N 3.11Å; N32-N35 PolarHBondContact O-N 3.15Å; N32-Y36 HydrophobicContact CB-CD2 4.16Å; N32-Y36 HydrophobicContact CB-CE2 4.09Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 2.96Å |
| 33 | L | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51.2 | -40 | -179 | -73.4 | 174.3 | 0 | 0 | 0 | 113 | I28 S29 V30 N35 Y36 L37 V62 V69 I73 | I28-L33 HydrophobicContact CB-CD2 3.92Å; I28-L33 HydrophobicContact CG2-CD2 3.99Å; I28-L33 HydrophobicContact CG2-CG 4.26Å; S29-L33 PolarHBondContact O-N 2.91Å; V30-L33 PolarHBondContact O-N 3.16Å; L33-N35 PolarHBondContact O-N 3.08Å; L33-N35 VanDerWaalsContact O-N 3.14Å; L33-Y36 PolarHBondContact O-N 2.75Å; L33-Y36 VanDerWaalsContact O-N 3.07Å; L33-L37 PolarHBondContact O-N 2.64Å; L33-V62 HydrophobicContact CD1-CG2 4.13Å; L33-V62 HydrophobicContact CD2-CG2 4Å; L33-V69 HydrophobicContact CD1-CG2 3.74Å; L33-I73 HydrophobicContact CB-CG2 4.33Å |
| 34 | R | 87.7 | Confident | 90.2 | Very high | 190 Ų | 190 | 72 Ų | 72 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.3 | -28.3 | 177.9 | -163.9 | 171.4 | -172.8 | 167.2 | 3.9 | 113.9 | N32 P38 I73 | N32-R34 PolarHBondContact O-N 3.47Å; N32-R34 VanDerWaalsContact O-N 3.11Å; R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.39Å; R34-I73 HydrophobicContact CB-CD1 4.31Å |
| 35 | N | 88.9 | Confident | 90.4 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -92.5 | -24.1 | 177.9 | -66.3 | -31.6 | 0 | 0 | 0 | 113.1 | N32 L33 | N32-N35 PolarHBondContact O-N 3.15Å; L33-N35 PolarHBondContact O-N 3.08Å; L33-N35 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 91.8 | Very high | 90.9 | Very high | 75 Ų | 75 | 75.6 Ų | 75.6 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -87.8 | -34.3 | -178.1 | -82.2 | -106.7 | 0 | 0 | 0 | 112.8 | I28 N32 L33 K39 C40 | I28-Y36 HydrophobicContact CD1-CD1 3.47Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.47Å; I28-Y36 HydrophobicContact CD1-CD2 4.4Å; I28-Y36 HydrophobicContact CD1-CE1 3.88Å; I28-Y36 HydrophobicContact CD1-CG 3.73Å; I28-Y36 HydrophobicContact CG2-CD2 4.13Å; I28-Y36 HydrophobicContact CG2-CE2 4.39Å; I28-Y36 HydrophobicContact CG2-CG 4.38Å; N32-Y36 HydrophobicContact CB-CD2 4.16Å; N32-Y36 HydrophobicContact CB-CE2 4.09Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 2.96Å; L33-Y36 PolarHBondContact O-N 2.75Å; L33-Y36 VanDerWaalsContact O-N 3.07Å; Y36-K39 WeakPolarHBondContact O-CA 3.36Å; Y36-K39 WeakPolarHBondContact O-CB 3.37Å; Y36-K39 PolarHBondContact O-N 3.12Å; Y36-C40 WeakPolarHBondContact O-CB 3.45Å; Y36-C40 PolarHBondContact O-N 3.11Å |
| 37 | L | 92.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.9 | -69 | 176.7 | 0 | 0 | 0 | 113.5 | L33 K39 C40 Q41 T58 L59 V62 I73 N76 A77 I80 | L33-L37 PolarHBondContact O-N 2.64Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.91Å; L37-C40 WeakPolarHBondContact O-CB 3.35Å; L37-C40 PolarHBondContact O-N 3.07Å; L37-Q41 PolarHBondContact O-N 3.11Å; L37-T58 HydrophobicContact CD2-CG2 4.15Å; L37-L59 HydrophobicContact CD2-CD2 3.84Å; L37-V62 HydrophobicContact CD2-CG2 4.18Å; L37-I73 HydrophobicContact CD1-CG2 3.64Å; L37-N76 HydrophobicContact CD1-CB 4.19Å; L37-A77 HydrophobicContact CD1-CB 4.18Å; L37-A77 HydrophobicContact CD2-CB 4.05Å; L37-I80 HydrophobicContact CB-CD1 3.95Å; L37-I80 HydrophobicContact CD2-CD1 4.07Å; L37-I80 WeakPolarHBondContact O-CD1 3.32Å |
| 38 | P | 91.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -21.6 | 173.4 | -22.1 | 34.6 | 0 | 0 | 0 | 114.3 | R34 R42 | R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.39Å; P38-R42 WeakPolarHBondContact O-CG 3.44Å; P38-R42 PolarHBondContact O-N 3.23Å; P38-R42 PolarHBondContact O-NE 3.03Å |
| 39 | K | 91.5 | Very high | 91.8 | Very high | 92 Ų | 92 | 73.3 Ų | 73.3 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.5 | -49.6 | 170.4 | -67.5 | 176.4 | -178.1 | 178.3 | 0 | 109.6 | Y36 L37 Q41 R42 S43 | Y36-K39 WeakPolarHBondContact O-CA 3.36Å; Y36-K39 WeakPolarHBondContact O-CB 3.37Å; Y36-K39 PolarHBondContact O-N 3.12Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.91Å; K39-Q41 VanDerWaalsContact C-N 3.28Å; K39-Q41 PolarHBondContact O-N 3.31Å; K39-R42 WeakPolarHBondContact O-CA 3.37Å; K39-R42 WeakPolarHBondContact O-CB 3.22Å; K39-R42 PolarHBondContact O-N 3.37Å; K39-S43 PolarHBondContact O-N 3.04Å; K39-S43 PolarHBondContact O-OG 2.88Å; K39-S43 VanDerWaalsContact O-OG 3.11Å |
| 40 | C | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -52.5 | -43.4 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | Y36 L37 R42 S43 L44 Y51 T58 | Y36-C40 WeakPolarHBondContact O-CB 3.45Å; Y36-C40 PolarHBondContact O-N 3.11Å; L37-C40 WeakPolarHBondContact O-CB 3.35Å; L37-C40 PolarHBondContact O-N 3.07Å; C40-R42 PolarHBondContact O-N 3.14Å; C40-S43 PolarHBondContact O-N 3.15Å; C40-L44 PolarHBondContact O-N 2.98Å; C40-Y51 VanDerWaalsContact SG-CE2 3.52Å; C40-T58 HydrophobicContact CB-CG2 4.16Å |
| 41 | Q | 93.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 175.5 | -171.6 | 176.1 | 7.9 | 0 | 0 | 113.3 | L37 K39 T45 I80 | L37-Q41 PolarHBondContact O-N 3.11Å; K39-Q41 VanDerWaalsContact C-N 3.28Å; K39-Q41 PolarHBondContact O-N 3.31Å; Q41-T45 PolarHBondContact O-N 3.21Å; Q41-T45 VanDerWaalsContact O-N 3.15Å; Q41-T45 PolarHBondContact O-OG1 2.88Å; Q41-I80 HydrophobicContact CB-CD1 4.12Å; Q41-I80 HydrophobicContact CB-CG1 4.15Å; Q41-I80 HydrophobicContact CG-CG1 4.44Å |
| 42 | R | 94.8 | Very high | 93 | Very high | 162 Ų | 162 | 59.8 Ų | 59.8 | 61% | 0.611 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 173.6 | -76.3 | 179.8 | -76.4 | 167.8 | -7.2 | 111 | P38 K39 C40 L44 T45 S46 | P38-R42 WeakPolarHBondContact O-CG 3.44Å; P38-R42 PolarHBondContact O-N 3.23Å; P38-R42 PolarHBondContact O-NE 3.03Å; K39-R42 WeakPolarHBondContact O-CA 3.37Å; K39-R42 WeakPolarHBondContact O-CB 3.22Å; K39-R42 PolarHBondContact O-N 3.37Å; C40-R42 PolarHBondContact O-N 3.14Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 3.32Å; R42-T45 WeakPolarHBondContact O-CB 3.26Å; R42-T45 PolarHBondContact O-N 2.89Å; R42-S46 PolarHBondContact O-N 3Å; R42-S46 PolarHBondContact O-OG 3.06Å |
| 43 | S | 95 | Very high | 93.2 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175 | -51 | 0 | 0 | 0 | 0 | 111.5 | K39 C40 T45 S46 E47 E55 | K39-S43 PolarHBondContact O-N 3.04Å; K39-S43 PolarHBondContact O-OG 2.88Å; K39-S43 VanDerWaalsContact O-OG 3.11Å; C40-S43 PolarHBondContact O-N 3.15Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.05Å; S43-S46 WeakPolarHBondContact CA-OG 3.44Å; S43-S46 PolarHBondContact O-N 3Å; S43-S46 PolarHBondContact O-OG 3.42Å; S43-S46 VanDerWaalsContact O-OG 3.14Å; S43-E47 WeakPolarHBondContact O-CB 3.48Å; S43-E47 PolarHBondContact O-N 3.07Å; S43-E55 PolarHBondContact OG-OE1 3.35Å; S43-E55 VanDerWaalsContact OG-OE1 3.06Å |
| 44 | L | 95.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.2 | -41 | 172.4 | 167.3 | 59.6 | 0 | 0 | 0 | 112.1 | C40 R42 G48 Y51 I80 K83 V87 | C40-L44 PolarHBondContact O-N 2.98Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 3.32Å; L44-G48 WeakPolarHBondContact O-CA 3.36Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-G48 VanDerWaalsContact O-N 3.12Å; L44-Y51 HydrophobicContact CB-CD1 3.82Å; L44-Y51 HydrophobicContact CB-CD2 4.1Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.19Å; L44-Y51 HydrophobicContact CB-CG 3.91Å; L44-Y51 HydrophobicContact CD1-CD1 3.63Å; L44-Y51 HydrophobicContact CD1-CE1 3.47Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.47Å; L44-Y51 HydrophobicContact CD2-CE1 4.41Å; L44-Y51 HydrophobicContact CG-CD1 4.29Å; L44-Y51 HydrophobicContact CG-CE1 4.08Å; L44-I80 HydrophobicContact CD2-CG2 4.49Å; L44-K83 HydrophobicContact CD2-CB 4.33Å; L44-K83 HydrophobicContact CD2-CG 4.29Å; L44-V87 HydrophobicContact CD1-CB 4.23Å; L44-V87 HydrophobicContact CD1-CG1 4.29Å; L44-V87 HydrophobicContact CD1-CG2 4.31Å |
| 45 | T | 93.4 | Very high | 93.6 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 73% | 0.73 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71 | -35.8 | -179.5 | -52 | 0 | 0 | 0 | 0 | 111.9 | Q41 R42 S43 | Q41-T45 PolarHBondContact O-N 3.21Å; Q41-T45 VanDerWaalsContact O-N 3.15Å; Q41-T45 PolarHBondContact O-OG1 2.88Å; R42-T45 WeakPolarHBondContact O-CB 3.26Å; R42-T45 PolarHBondContact O-N 2.89Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.05Å |
| 46 | S | 94.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 65% | 0.65 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -84.5 | -38.5 | -177.9 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | R42 S43 | R42-S46 PolarHBondContact O-N 3Å; R42-S46 PolarHBondContact O-OG 3.06Å; S43-S46 WeakPolarHBondContact CA-OG 3.44Å; S43-S46 PolarHBondContact O-N 3Å; S43-S46 PolarHBondContact O-OG 3.42Å; S43-S46 VanDerWaalsContact O-OG 3.14Å |
| 47 | E | 92.4 | Very high | 94 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -104.7 | -4.2 | -171.8 | -61.8 | 178.1 | -161.2 | 0 | 0 | 112.9 | S43 T50 Y51 H54 | S43-E47 WeakPolarHBondContact O-CB 3.48Å; S43-E47 PolarHBondContact O-N 3.07Å; E47-T50 PolarHBondContact O-OG1 3.31Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.39Å; E47-H54 IonicContact OE2-CD2 3.81Å |
| 48 | G | 93.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | 65.8 | -148.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L44 T50 Y51 Q91 | L44-G48 WeakPolarHBondContact O-CA 3.36Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-G48 VanDerWaalsContact O-N 3.12Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 2.96Å; G48-Y51 WeakPolarHBondContact O-CD1 3.44Å; G48-Y51 PolarHBondContact O-N 2.9Å; G48-Q91 VanDerWaalsContact CA-OE1 3.26Å |
| 49 | F | 94.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68.7 | -19.9 | -174.2 | 81.2 | -77.5 | 0 | 0 | 0 | 114.5 | Y51 I52 V87 C88 Q91 L92 H114 A117 H121 | F49-Y51 PolarHBondContact O-N 3.34Å; F49-I52 WeakPolarHBondContact O-CG2 3.4Å; F49-V87 HydrophobicContact CB-CG1 4.35Å; F49-C88 VanDerWaalsContact CB-CA 3.49Å; F49-C88 HydrophobicContact CB-CB 3.76Å; F49-C88 HydrophobicContact CD2-CB 4.25Å; F49-C88 VanDerWaalsContact CD2-SG 3.56Å; F49-C88 HydrophobicContact CG-CB 4.26Å; F49-Q91 HydrophobicContact CD1-CB 3.8Å; F49-Q91 HydrophobicContact CE1-CB 4.2Å; F49-L92 HydrophobicContact CE2-CD1 4.41Å; F49-L92 HydrophobicContact CZ-CB 4.47Å; F49-L92 HydrophobicContact CZ-CD1 4.09Å; F49-H114 HydrophobicContact CZ-CB 4.36Å; F49-H114 AromaticContact CZ-CD2 3.43Å; F49-H114 VanDerWaalsContact CZ-CD2 3.43Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.46Å; F49-H114 AromaticContact CZ-CG 3.96Å; F49-A117 HydrophobicContact CD2-CB 3.85Å; F49-A117 HydrophobicContact CE2-CB 3.82Å; F49-H121 PolarHBondContact O-NE2 3.12Å |
| 50 | T | 94.9 | Very high | 94.6 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -75 | -10.9 | -179.6 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | E47 G48 I52 L53 T113 | E47-T50 PolarHBondContact O-OG1 3.31Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 2.96Å; T50-I52 PolarHBondContact O-N 3.11Å; T50-L53 HydrophobicContact CG2-CD1 4.37Å; T50-L53 WeakPolarHBondContact O-CB 3.45Å; T50-L53 WeakPolarHBondContact O-CG 3.39Å; T50-L53 PolarHBondContact O-N 3.28Å; T50-T113 HydrophobicContact CG2-CG2 4.45Å |
| 51 | Y | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -50.5 | -31.3 | 173.7 | 89.2 | -80 | 0 | 0 | 0 | 112.5 | C40 L44 E47 G48 F49 L53 H54 E55 L59 H121 | C40-Y51 VanDerWaalsContact SG-CE2 3.52Å; L44-Y51 HydrophobicContact CB-CD1 3.82Å; L44-Y51 HydrophobicContact CB-CD2 4.1Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.19Å; L44-Y51 HydrophobicContact CB-CG 3.91Å; L44-Y51 HydrophobicContact CD1-CD1 3.63Å; L44-Y51 HydrophobicContact CD1-CE1 3.47Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.47Å; L44-Y51 HydrophobicContact CD2-CE1 4.41Å; L44-Y51 HydrophobicContact CG-CD1 4.29Å; L44-Y51 HydrophobicContact CG-CE1 4.08Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.39Å; G48-Y51 WeakPolarHBondContact O-CD1 3.44Å; G48-Y51 PolarHBondContact O-N 2.9Å; F49-Y51 PolarHBondContact O-N 3.34Å; Y51-L53 PolarHBondContact O-N 2.96Å; Y51-L53 VanDerWaalsContact O-N 3.15Å; Y51-H54 PolarHBondContact O-N 3.39Å; Y51-E55 HydrophobicContact CD2-CB 3.75Å; Y51-E55 HydrophobicContact CD2-CG 4Å; Y51-E55 HydrophobicContact CE2-CB 4.03Å; Y51-E55 PolarHBondContact O-N 3.47Å; Y51-L59 HydrophobicContact CE2-CD1 4.39Å; Y51-H121 AromaticContact CE1-CE1 3.45Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.45Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.45Å; Y51-H121 AromaticContact CE1-NE2 3.94Å; Y51-H121 AromaticContact CZ-CE1 4Å |
| 52 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -27 | -175.6 | -161.4 | 62.4 | 0 | 0 | 0 | 112.2 | F49 T50 H54 E55 F56 L59 A117 M120 H121 L124 | F49-I52 WeakPolarHBondContact O-CG2 3.4Å; T50-I52 PolarHBondContact O-N 3.11Å; I52-H54 PolarHBondContact O-N 3.48Å; I52-H54 VanDerWaalsContact O-N 3.16Å; I52-E55 PolarHBondContact O-N 2.93Å; I52-F56 HydrophobicContact CD1-CB 4.43Å; I52-F56 HydrophobicContact CD1-CD2 4.46Å; I52-F56 HydrophobicContact CG1-CB 4.39Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 WeakPolarHBondContact O-CA 3.46Å; I52-F56 WeakPolarHBondContact O-CB 3.5Å; I52-F56 PolarHBondContact O-N 2.83Å; I52-L59 HydrophobicContact CD1-CD1 3.73Å; I52-A117 HydrophobicContact CG2-CB 3.75Å; I52-M120 HydrophobicContact CG1-CB 3.91Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.32Å; I52-H121 WeakPolarHBondContact CB-NE2 3.39Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.21Å; I52-L124 HydrophobicContact CD1-CD1 3.63Å; I52-L124 HydrophobicContact CG1-CD1 4.35Å |
| 53 | L | 94.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.5 | -21.8 | 179.2 | -60.1 | 170.6 | 0 | 0 | 0 | 112.5 | M1 T50 Y51 T113 N116 A117 M120 | M1-L53 HydrophobicContact CE-CB 4.08Å; M1-L53 HydrophobicContact CE-CD1 3.86Å; M1-L53 HydrophobicContact CE-CG 4.42Å; M1-L53 HydrophobicContact SD-CB 4.44Å; M1-L53 HydrophobicContact SD-CD1 4.04Å; M1-L53 HydrophobicContact SD-CD2 3.97Å; M1-L53 HydrophobicContact SD-CG 4.39Å; T50-L53 HydrophobicContact CG2-CD1 4.37Å; T50-L53 WeakPolarHBondContact O-CB 3.45Å; T50-L53 WeakPolarHBondContact O-CG 3.39Å; T50-L53 PolarHBondContact O-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.96Å; Y51-L53 VanDerWaalsContact O-N 3.15Å; L53-T113 HydrophobicContact CD1-CG2 3.38Å; L53-N116 HydrophobicContact CD2-CB 3.83Å; L53-A117 HydrophobicContact CD1-CB 4.46Å; L53-A117 HydrophobicContact CD2-CB 4.06Å; L53-A117 HydrophobicContact CG-CB 4.19Å; L53-M120 HydrophobicContact CD2-SD 3.95Å |
| 54 | H | 91.4 | Very high | 94.6 | Very high | 131 Ų | 131 | 30.9 Ų | 30.9 | 61% | 0.606 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -111 | -23 | 178.8 | -60.2 | -54.3 | 0 | 0 | 0 | 113.1 | E47 Y51 I52 | E47-H54 IonicContact OE2-CD2 3.81Å; Y51-H54 PolarHBondContact O-N 3.39Å; I52-H54 PolarHBondContact O-N 3.48Å; I52-H54 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 94 | Very high | 94.4 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -111.9 | 4.1 | -174.3 | -65.4 | -74.2 | -178 | 0 | 0 | 114 | S43 Y51 I52 D57 T58 | S43-E55 PolarHBondContact OG-OE1 3.35Å; S43-E55 VanDerWaalsContact OG-OE1 3.06Å; Y51-E55 HydrophobicContact CD2-CB 3.75Å; Y51-E55 HydrophobicContact CD2-CG 4Å; Y51-E55 HydrophobicContact CE2-CB 4.03Å; Y51-E55 PolarHBondContact O-N 3.47Å; I52-E55 PolarHBondContact O-N 2.93Å; E55-D57 VanDerWaalsContact C-N 3.26Å; E55-D57 PolarHBondContact O-N 3.14Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.37Å; E55-T58 VanDerWaalsContact O-N 3.1Å; E55-T58 PolarHBondContact OE2-OG1 3.17Å |
| 56 | F | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.7 | -42.5 | 178.2 | -179 | -89.1 | 0 | 0 | 0 | 112.1 | F4 L13 Y22 V24 I52 T58 L59 F60 M120 Y123 L124 | F4-F56 HydrophobicContact CE2-CE1 4Å; F4-F56 AromaticContact CE2-CE2 3.84Å; F4-F56 HydrophobicContact CE2-CE2 3.84Å; F4-F56 AromaticContact CE2-CZ 3.56Å; F4-F56 HydrophobicContact CE2-CZ 3.56Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.72Å; F4-F56 HydrophobicContact CZ-CZ 3.72Å; L13-F56 HydrophobicContact CD1-CE1 3.96Å; L13-F56 HydrophobicContact CD1-CZ 3.88Å; Y22-F56 AromaticContact CE1-CD1 3.56Å; Y22-F56 HydrophobicContact CE1-CD1 3.56Å; Y22-F56 HydrophobicContact CE1-CE1 4.03Å; Y22-F56 HydrophobicContact CE1-CG 4.31Å; Y22-F56 AromaticContact CZ-CD1 3.98Å; V24-F56 HydrophobicContact CG2-CD1 4.17Å; V24-F56 HydrophobicContact CG2-CE1 3.95Å; I52-F56 HydrophobicContact CD1-CB 4.43Å; I52-F56 HydrophobicContact CD1-CD2 4.46Å; I52-F56 HydrophobicContact CG1-CB 4.39Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 WeakPolarHBondContact O-CA 3.46Å; I52-F56 WeakPolarHBondContact O-CB 3.5Å; I52-F56 PolarHBondContact O-N 2.83Å; F56-T58 PolarHBondContact O-N 3.06Å; F56-L59 PolarHBondContact O-N 2.97Å; F56-F60 HydrophobicContact CD1-CB 4.06Å; F56-F60 HydrophobicContact CE1-CB 3.8Å; F56-F60 AromaticContact CE1-CD2 3.95Å; F56-F60 HydrophobicContact CE1-CD2 3.95Å; F56-F60 HydrophobicContact CE1-CG 4.07Å; F56-F60 HydrophobicContact CZ-CB 4.43Å; F56-F60 HydrophobicContact CZ-CD2 4.24Å; F56-F60 VanDerWaalsContact O-CB 3.29Å; F56-F60 WeakPolarHBondContact O-CB 3.44Å; F56-F60 PolarHBondContact O-N 3.2Å; F56-M120 HydrophobicContact CB-CE 4.43Å; F56-M120 HydrophobicContact CB-SD 4.13Å; F56-M120 HydrophobicContact CD2-CB 3.67Å; F56-M120 HydrophobicContact CD2-CG 3.64Å; F56-M120 HydrophobicContact CD2-SD 4.06Å; F56-M120 HydrophobicContact CE2-CB 3.93Å; F56-M120 HydrophobicContact CE2-CG 3.91Å; F56-M120 HydrophobicContact CG-CE 4.44Å; F56-M120 HydrophobicContact CG-CG 4.33Å; F56-M120 HydrophobicContact CG-SD 4.26Å; F56-Y123 HydrophobicContact CE2-CD1 4.12Å; 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 3.74Å; F56-L124 HydrophobicContact CD2-CD2 4.42Å; F56-L124 HydrophobicContact CD2-CG 4.06Å; F56-L124 HydrophobicContact CE2-CD1 3.9Å; F56-L124 HydrophobicContact CE2-CD2 3.9Å; F56-L124 HydrophobicContact CE2-CG 3.67Å; F56-L124 HydrophobicContact CZ-CD2 4.24Å; F56-L124 HydrophobicContact CZ-CG 4.47Å |
| 57 | D | 94.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -37 | 179.1 | -75.1 | 9.7 | 0 | 0 | 0 | 111.9 | Y22 V24 N25 D26 E55 S61 | Y22-D57 PolarHBondContact OH-OD1 2.95Å; V24-D57 WeakPolarHBondContact CA-OD1 3.27Å; V24-D57 HydrophobicContact CG1-CB 4.21Å; N25-D57 PolarHBondContact N-OD2 3.07Å; D26-D57 PolarHBondContact N-OD2 2.65Å; E55-D57 VanDerWaalsContact C-N 3.26Å; E55-D57 PolarHBondContact O-N 3.14Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 3.25Å; D57-S61 PolarHBondContact O-OG 3.18Å |
| 58 | T | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | I28 L37 C40 E55 F56 | I28-T58 HydrophobicContact CD1-CG2 4.18Å; L37-T58 HydrophobicContact CD2-CG2 4.15Å; C40-T58 HydrophobicContact CB-CG2 4.16Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.37Å; E55-T58 VanDerWaalsContact O-N 3.1Å; E55-T58 PolarHBondContact OE2-OG1 3.17Å; F56-T58 PolarHBondContact O-N 3.06Å |
| 59 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.4 | -36 | -178.1 | -64.1 | 172.5 | 0 | 0 | 0 | 111.9 | L37 Y51 I52 F56 S61 V62 L63 A77 I80 V81 L124 | L37-L59 HydrophobicContact CD2-CD2 3.84Å; Y51-L59 HydrophobicContact CE2-CD1 4.39Å; I52-L59 HydrophobicContact CD1-CD1 3.73Å; F56-L59 PolarHBondContact O-N 2.97Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 3.42Å; L59-V62 WeakPolarHBondContact O-CB 3.41Å; L59-V62 PolarHBondContact O-N 2.98Å; L59-L63 PolarHBondContact O-N 3.43Å; L59-A77 HydrophobicContact CD2-CB 4.39Å; L59-I80 HydrophobicContact CD1-CG2 4.25Å; L59-I80 HydrophobicContact CD2-CB 4.34Å; L59-I80 HydrophobicContact CD2-CG2 4.06Å; L59-V81 HydrophobicContact CD1-CG2 3.92Å; L59-V81 HydrophobicContact CD2-CG2 4.13Å; L59-V81 HydrophobicContact CG-CG2 4.41Å; L59-L124 HydrophobicContact CB-CD1 3.86Å; L59-L124 HydrophobicContact CB-CD2 4.38Å; L59-L124 HydrophobicContact CD1-CD1 3.93Å |
| 60 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 172.4 | 179.1 | -89 | 0 | 0 | 0 | 111.8 | K10 L13 L14 V24 F56 V62 L63 H64 Y123 | K10-F60 HydrophobicContact CD-CE2 4.42Å; K10-F60 HydrophobicContact CG-CE2 3.59Å; K10-F60 HydrophobicContact CG-CZ 3.81Å; K10-F60 WeakPolarHBondContact O-CZ 3.49Å; L13-F60 HydrophobicContact CB-CE2 3.91Å; L13-F60 HydrophobicContact CB-CZ 3.93Å; L13-F60 HydrophobicContact CD1-CD2 3.74Å; L13-F60 HydrophobicContact CD1-CE2 3.42Å; L13-F60 VanDerWaalsContact CD1-CE2 3.42Å; L13-F60 HydrophobicContact CD1-CZ 4.3Å; L13-F60 HydrophobicContact CG-CE2 4.3Å; L14-F60 HydrophobicContact CD2-CE1 3.95Å; L14-F60 HydrophobicContact CG-CE1 4.36Å; V24-F60 HydrophobicContact CB-CD1 4.19Å; V24-F60 HydrophobicContact CB-CE1 4.33Å; V24-F60 HydrophobicContact CG1-CD1 3.84Å; V24-F60 HydrophobicContact CG1-CE1 4.23Å; V24-F60 HydrophobicContact CG2-CB 4.31Å; V24-F60 HydrophobicContact CG2-CD1 3.57Å; V24-F60 HydrophobicContact CG2-CD2 4.3Å; V24-F60 HydrophobicContact CG2-CE1 3.89Å; V24-F60 HydrophobicContact CG2-CG 3.79Å; V24-F60 HydrophobicContact CG2-CZ 4.37Å; F56-F60 HydrophobicContact CD1-CB 4.06Å; F56-F60 HydrophobicContact CE1-CB 3.8Å; F56-F60 AromaticContact CE1-CD2 3.95Å; F56-F60 HydrophobicContact CE1-CD2 3.95Å; F56-F60 HydrophobicContact CE1-CG 4.07Å; F56-F60 HydrophobicContact CZ-CB 4.43Å; F56-F60 HydrophobicContact CZ-CD2 4.24Å; F56-F60 VanDerWaalsContact O-CB 3.29Å; F56-F60 WeakPolarHBondContact O-CB 3.44Å; F56-F60 PolarHBondContact O-N 3.2Å; F60-V62 PolarHBondContact O-N 2.84Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CA 3.48Å; F60-L63 WeakPolarHBondContact O-CB 3.46Å; F60-L63 PolarHBondContact O-N 3.33Å; F60-H64 HydrophobicContact CD1-CB 4.39Å; F60-H64 HydrophobicContact CE1-CB 4.07Å; F60-H64 PolarHBondContact O-N 2.78Å; F60-Y123 HydrophobicContact CD2-CE1 4.45Å |
| 61 | S | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -33.5 | 176.8 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | V27 I28 D57 L59 H64 E65 | V27-S61 WeakPolarHBondContact CA-OG 3.27Å; I28-S61 PolarHBondContact N-OG 2.9Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 3.25Å; D57-S61 PolarHBondContact O-OG 3.18Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 3.42Å; S61-H64 PolarHBondContact O-N 2.8Å; S61-E65 WeakPolarHBondContact O-CB 3.39Å; S61-E65 PolarHBondContact O-N 2.95Å |
| 62 | V | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 172 | -179.1 | 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 4Å; L37-V62 HydrophobicContact CD2-CG2 4.18Å; L59-V62 WeakPolarHBondContact O-CB 3.41Å; L59-V62 PolarHBondContact O-N 2.98Å; F60-V62 PolarHBondContact O-N 2.84Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 3.01Å; V62-W66 WeakPolarHBondContact O-CA 3.29Å; V62-W66 PolarHBondContact O-N 3.45Å; V62-V69 HydrophobicContact CG1-CG1 4.42Å; V62-I73 HydrophobicContact CG2-CG2 4.49Å; V62-A77 HydrophobicContact CB-CB 4.25Å; V62-A77 HydrophobicContact CG1-CB 3.89Å; V62-A77 HydrophobicContact CG2-CB 3.94Å; V62-F128 HydrophobicContact CB-CZ 4.15Å; V62-F128 HydrophobicContact CG1-CE1 4.18Å; V62-F128 HydrophobicContact CG1-CZ 4.06Å |
| 63 | L | 93.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -31.9 | 175.9 | -73 | 174.8 | 0 | 0 | 0 | 113 | K10 L59 F60 W66 L124 Q127 F128 M131 | K10-L63 HydrophobicContact CD-CB 4.35Å; K10-L63 PolarHBondContact NZ-O 2.75Å; L59-L63 PolarHBondContact O-N 3.43Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CA 3.48Å; F60-L63 WeakPolarHBondContact O-CB 3.46Å; F60-L63 PolarHBondContact O-N 3.33Å; L63-W66 HydrophobicContact CD2-CE3 4.19Å; L63-W66 HydrophobicContact CD2-CZ3 4.19Å; L63-L124 HydrophobicContact CD1-CD2 3.55Å; L63-Q127 HydrophobicContact CD1-CB 3.73Å; L63-Q127 HydrophobicContact CD2-CB 4.23Å; L63-F128 HydrophobicContact CD1-CD2 3.87Å; L63-F128 HydrophobicContact CD1-CE2 3.76Å; L63-F128 HydrophobicContact CD2-CD1 4.33Å; L63-F128 HydrophobicContact CD2-CD2 3.58Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.69Å; L63-F128 HydrophobicContact CD2-CG 3.93Å; L63-F128 HydrophobicContact CD2-CZ 4.13Å; 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 3.99Å; L63-M131 HydrophobicContact CD2-CB 4.48Å; L63-M131 HydrophobicContact CD2-CG 3.72Å |
| 64 | H | 92.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 37% | 0.366 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.8 | -46.8 | 178.9 | -174.2 | 69.1 | 0 | 0 | 0 | 111.3 | L14 F60 S61 V62 W66 | L14-H64 VanDerWaalsContact CD1-CE1 3.49Å; L14-H64 WeakPolarHBondContact CD1-CE1 3.28Å; F60-H64 HydrophobicContact CD1-CB 4.39Å; F60-H64 HydrophobicContact CE1-CB 4.07Å; F60-H64 PolarHBondContact O-N 2.78Å; S61-H64 PolarHBondContact O-N 2.8Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 3.01Å; H64-W66 VanDerWaalsContact C-N 3.25Å; H64-W66 PolarHBondContact O-N 3.13Å |
| 65 | E | 91.7 | Very high | 92.5 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -87.4 | 21.2 | 180 | -66.2 | -66.4 | 159.3 | 0 | 0 | 113.1 | V30 S61 Q67 N68 V69 | V30-E65 HydrophobicContact CG2-CB 3.89Å; V30-E65 HydrophobicContact CG2-CG 4Å; S61-E65 WeakPolarHBondContact O-CB 3.39Å; S61-E65 PolarHBondContact O-N 2.95Å; E65-Q67 PolarHBondContact O-N 3.31Å; E65-N68 WeakPolarHBondContact O-CA 3.35Å; E65-N68 PolarHBondContact O-N 3.38Å; E65-N68 PolarHBondContact OE2-ND2 3.02Å; E65-V69 HydrophobicContact CB-CG2 3.75Å; E65-V69 VanDerWaalsContact O-CG2 3.28Å; E65-V69 WeakPolarHBondContact O-CG2 3.46Å; E65-V69 PolarHBondContact O-N 2.83Å; E65-V69 VanDerWaalsContact O-N 3.13Å |
| 66 | W | 93.1 | Very high | 92.5 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -39 | -166.9 | -171.4 | -93.9 | 0 | 0 | 0 | 114.8 | V62 L63 H64 N68 K74 F128 M131 F132 E135 | V62-W66 WeakPolarHBondContact O-CA 3.29Å; V62-W66 PolarHBondContact O-N 3.45Å; L63-W66 HydrophobicContact CD2-CE3 4.19Å; L63-W66 HydrophobicContact CD2-CZ3 4.19Å; H64-W66 VanDerWaalsContact C-N 3.25Å; H64-W66 PolarHBondContact O-N 3.13Å; W66-N68 VanDerWaalsContact C-N 3.34Å; W66-K74 HydrophobicContact CD2-CD 4.29Å; W66-K74 HydrophobicContact CE3-CG 4.39Å; W66-K74 HydrophobicContact CH2-CB 4.24Å; W66-K74 HydrophobicContact CH2-CD 4.07Å; W66-K74 HydrophobicContact CH2-CG 4.17Å; W66-K74 HydrophobicContact CZ2-CD 3.77Å; W66-K74 HydrophobicContact CZ2-CG 4.37Å; W66-K74 HydrophobicContact CZ3-CB 4.45Å; W66-K74 HydrophobicContact CZ3-CD 4.42Å; W66-K74 HydrophobicContact CZ3-CG 4.17Å; W66-K74 WeakPolarHBondContact O-CE 3.21Å; W66-K74 PolarHBondContact O-NZ 3.31Å; W66-K74 VanDerWaalsContact O-NZ 3.08Å; W66-F128 HydrophobicContact CH2-CD1 4.24Å; W66-F128 AromaticContact CZ3-CD1 3.87Å; W66-F128 HydrophobicContact CZ3-CD1 3.87Å; W66-F128 AromaticContact CZ3-CE1 3.84Å; W66-F128 HydrophobicContact CZ3-CE1 3.84Å; W66-M131 HydrophobicContact CD2-CB 3.72Å; W66-M131 HydrophobicContact CD2-CG 4.09Å; W66-M131 VanDerWaalsContact CE2-CB 3.49Å; W66-M131 HydrophobicContact CE3-CB 3.93Å; W66-M131 HydrophobicContact CE3-CG 4.17Å; W66-M131 HydrophobicContact CG-CB 4.42Å; W66-M131 HydrophobicContact CH2-CB 3.69Å; W66-M131 HydrophobicContact CZ2-CB 3.5Å; W66-M131 VanDerWaalsContact CZ2-CB 3.5Å; W66-M131 HydrophobicContact CZ3-CB 3.9Å; W66-M131 HydrophobicContact CZ3-CG 4.46Å; W66-F132 HydrophobicContact CH2-CD1 4.29Å; W66-F132 AromaticContact CH2-CD2 3.84Å; W66-F132 HydrophobicContact CH2-CD2 3.84Å; W66-F132 HydrophobicContact CH2-CE1 4.2Å; W66-F132 AromaticContact CH2-CE2 3.73Å; W66-F132 HydrophobicContact CH2-CE2 3.73Å; W66-F132 HydrophobicContact CH2-CG 4.11Å; W66-F132 AromaticContact CH2-CZ 3.93Å; W66-F132 HydrophobicContact CH2-CZ 3.93Å; W66-F132 HydrophobicContact CZ2-CD1 4.22Å; W66-F132 HydrophobicContact CZ2-CD2 4.41Å; W66-F132 HydrophobicContact CZ2-CE1 4.39Å; W66-F132 HydrophobicContact CZ2-CG 4.23Å; W66-E135 VanDerWaalsContact CE2-OE2 3.26Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.49Å; W66-E135 PolarHBondContact NE1-OE2 3.23Å |
| 67 | Q | 89.2 | Confident | 92.5 | Very high | 185 Ų | 185 | 35.7 Ų | 35.7 | 86% | 0.864 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.8 | 179.3 | -65.8 | -178.1 | -6.3 | 0 | 0 | 113.5 | E65 | E65-Q67 PolarHBondContact O-N 3.31Š|
| 68 | N | 89 | Confident | 92.6 | Very high | 109 Ų | 109 | 34.8 Ų | 34.8 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9.4 | -176.3 | -60.7 | -39.4 | 0 | 0 | 0 | 112.9 | V30 E65 W66 | V30-N68 WeakPolarHBondContact CG1-O 3.44Å; V30-N68 HydrophobicContact CG2-CB 3.8Å; E65-N68 WeakPolarHBondContact O-CA 3.35Å; E65-N68 PolarHBondContact O-N 3.38Å; E65-N68 PolarHBondContact OE2-ND2 3.02Å; W66-N68 VanDerWaalsContact C-N 3.34Å |
| 69 | V | 88.9 | Confident | 92.6 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -95.6 | 134.7 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | V30 L33 V62 E65 I73 K74 | V30-V69 HydrophobicContact CG1-CG2 4.31Å; V30-V69 HydrophobicContact CG2-CG2 4.25Å; L33-V69 HydrophobicContact CD1-CG2 3.74Å; V62-V69 HydrophobicContact CG1-CG1 4.42Å; E65-V69 HydrophobicContact CB-CG2 3.75Å; E65-V69 VanDerWaalsContact O-CG2 3.28Å; E65-V69 WeakPolarHBondContact O-CG2 3.46Å; E65-V69 PolarHBondContact O-N 2.83Å; E65-V69 VanDerWaalsContact O-N 3.13Å; V69-I73 HydrophobicContact CG1-CB 3.38Å; V69-I73 HydrophobicContact CG1-CD1 4.32Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 HydrophobicContact CG1-CG2 3.28Å; V69-K74 HydrophobicContact CG1-CG 4.05Å; V69-K74 WeakPolarHBondContact O-CE 3.07Å |
| 70 | D | 87.9 | Confident | 92.7 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | trans | -71.1 | 156.1 | 176.2 | 65.5 | -83.4 | 0 | 0 | 0 | 112.5 | G72 I73 K74 | D70-G72 PolarHBondContact O-N 3.38Å; D70-G72 PolarHBondContact OD2-N 3.29Å; D70-I73 PolarHBondContact O-N 3.38Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.27Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.25Å; D70-I73 PolarHBondContact OD2-N 3.26Å; D70-K74 PolarHBondContact O-N 3.28Å; D70-K74 VanDerWaalsContact O-N 3.13Å | ||
| 71 | S | 86.7 | Confident | 92.7 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.6 | -37.4 | -178.3 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | I73 K74 E75 L167 | S71-I73 PolarHBondContact O-N 3.47Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 3.04Å; S71-E75 WeakPolarHBondContact O-CB 3.3Å; S71-E75 VanDerWaalsContact O-CG 3.27Å; S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.48Å; S71-L167 WeakPolarHBondContact OG-CD1 3.38Å |
| 72 | G | 88.3 | Confident | 92.8 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D70 N76 | D70-G72 PolarHBondContact O-N 3.38Å; D70-G72 PolarHBondContact OD2-N 3.29Å; G72-N76 WeakPolarHBondContact O-CB 3.43Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 2.85Å |
| 73 | I | 91.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.9 | -40.6 | 173.4 | -65.5 | 179.4 | 0 | 0 | 0 | 110.8 | L33 R34 L37 V62 V69 D70 S71 E75 N76 A77 | L33-I73 HydrophobicContact CB-CG2 4.33Å; R34-I73 HydrophobicContact CB-CD1 4.31Å; L37-I73 HydrophobicContact CD1-CG2 3.64Å; V62-I73 HydrophobicContact CG2-CG2 4.49Å; V69-I73 HydrophobicContact CG1-CB 3.38Å; V69-I73 HydrophobicContact CG1-CD1 4.32Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 HydrophobicContact CG1-CG2 3.28Å; D70-I73 PolarHBondContact O-N 3.38Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.27Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.25Å; D70-I73 PolarHBondContact OD2-N 3.26Å; S71-I73 PolarHBondContact O-N 3.47Å; I73-E75 PolarHBondContact O-N 3.43Å; I73-N76 PolarHBondContact O-N 2.84Å; I73-A77 WeakPolarHBondContact O-CB 3.31Å; I73-A77 PolarHBondContact O-N 3.19Å |
| 74 | K | 94.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.9 | -65.2 | 175.2 | 178.9 | 176.4 | 0 | 111.6 | W66 V69 D70 S71 A77 W78 F132 E135 | W66-K74 HydrophobicContact CD2-CD 4.29Å; W66-K74 HydrophobicContact CE3-CG 4.39Å; W66-K74 HydrophobicContact CH2-CB 4.24Å; W66-K74 HydrophobicContact CH2-CD 4.07Å; W66-K74 HydrophobicContact CH2-CG 4.17Å; W66-K74 HydrophobicContact CZ2-CD 3.77Å; W66-K74 HydrophobicContact CZ2-CG 4.37Å; W66-K74 HydrophobicContact CZ3-CB 4.45Å; W66-K74 HydrophobicContact CZ3-CD 4.42Å; W66-K74 HydrophobicContact CZ3-CG 4.17Å; W66-K74 WeakPolarHBondContact O-CE 3.21Å; W66-K74 PolarHBondContact O-NZ 3.31Å; W66-K74 VanDerWaalsContact O-NZ 3.08Å; V69-K74 HydrophobicContact CG1-CG 4.05Å; V69-K74 WeakPolarHBondContact O-CE 3.07Å; D70-K74 PolarHBondContact O-N 3.28Å; D70-K74 VanDerWaalsContact O-N 3.13Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 3.04Å; K74-A77 PolarHBondContact O-N 3.43Å; K74-W78 WeakPolarHBondContact O-CB 3.44Å; K74-W78 PolarHBondContact O-N 2.99Å; K74-F132 HydrophobicContact CB-CE1 4.27Å; K74-F132 HydrophobicContact CB-CZ 3.95Å; K74-E135 IonicContact NZ-OE1 2.75Å; K74-E135 PolarHBondContact NZ-OE1 3.44Å; K74-E135 IonicContact NZ-OE2 3.71Å; K74-E135 PolarHBondContact NZ-OE2 2.91Å |
| 75 | E | 92.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.3 | -70.3 | -177.8 | -175.9 | 0 | 0 | 112.5 | S71 I73 A77 W78 H79 L169 C170 M171 | S71-E75 WeakPolarHBondContact O-CB 3.3Å; S71-E75 VanDerWaalsContact O-CG 3.27Å; S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.48Å; I73-E75 PolarHBondContact O-N 3.43Å; E75-A77 VanDerWaalsContact C-N 3.32Å; E75-A77 PolarHBondContact O-N 3.43Å; E75-W78 WeakPolarHBondContact O-CB 3.44Å; E75-W78 PolarHBondContact O-N 3.26Å; E75-H79 PolarHBondContact O-CD2 2.87Å; E75-H79 PolarHBondContact O-N 2.92Å; E75-L169 HydrophobicContact CG-CD2 4.16Å; E75-L169 WeakPolarHBondContact OE1-CA 3.24Å; E75-L169 WeakPolarHBondContact OE1-CD2 3.3Å; E75-C170 PolarHBondContact OE1-N 2.89Å; E75-C170 WeakPolarHBondContact OE2-CB 3.43Å; E75-M171 HydrophobicContact CB-CE 3.5Å; E75-M171 HydrophobicContact CG-CE 3.49Å; E75-M171 VanDerWaalsContact CG-CE 3.49Å; E75-M171 HydrophobicContact CG-CG 4.46Å; E75-M171 HydrophobicContact CG-SD 4.28Å |
| 76 | N | 93.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.6 | -76.2 | -40.7 | 0 | 0 | 0 | 111.6 | L37 G72 I73 H79 I80 | L37-N76 HydrophobicContact CD1-CB 4.19Å; G72-N76 WeakPolarHBondContact O-CB 3.43Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 2.85Å; I73-N76 PolarHBondContact O-N 2.84Å; N76-H79 PolarHBondContact O-N 3.15Å; N76-I80 VanDerWaalsContact O-CG1 3.32Å; N76-I80 WeakPolarHBondContact O-CG1 3.4Å; N76-I80 PolarHBondContact O-N 3.47Å |
| 77 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 L59 V62 I73 K74 E75 H79 I80 V81 F128 | L37-A77 HydrophobicContact CD1-CB 4.18Å; L37-A77 HydrophobicContact CD2-CB 4.05Å; L59-A77 HydrophobicContact CD2-CB 4.39Å; V62-A77 HydrophobicContact CB-CB 4.25Å; V62-A77 HydrophobicContact CG1-CB 3.89Å; V62-A77 HydrophobicContact CG2-CB 3.94Å; I73-A77 WeakPolarHBondContact O-CB 3.31Å; I73-A77 PolarHBondContact O-N 3.19Å; K74-A77 PolarHBondContact O-N 3.43Å; E75-A77 VanDerWaalsContact C-N 3.32Å; E75-A77 PolarHBondContact O-N 3.43Å; A77-H79 PolarHBondContact O-N 2.83Å; A77-I80 PolarHBondContact O-N 3.36Å; A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 2.89Å; A77-F128 HydrophobicContact CB-CE1 3.74Å; A77-F128 HydrophobicContact CB-CZ 3.78Å |
| 78 | W | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.7 | -51.7 | 172.6 | 171.8 | -107.5 | 0 | 0 | 0 | 112 | K74 E75 I80 V81 L82 L125 F128 V129 F132 M171 W173 E176 A180 | K74-W78 WeakPolarHBondContact O-CB 3.44Å; K74-W78 PolarHBondContact O-N 2.99Å; E75-W78 WeakPolarHBondContact O-CB 3.44Å; E75-W78 PolarHBondContact O-N 3.26Å; W78-I80 VanDerWaalsContact C-N 3.26Å; W78-I80 PolarHBondContact O-N 3.12Å; W78-V81 PolarHBondContact O-N 3.4Å; W78-V81 VanDerWaalsContact O-N 3.12Å; W78-L82 HydrophobicContact CZ2-CB 4.42Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 3.43Å; W78-L82 PolarHBondContact O-N 3.16Å; W78-L125 HydrophobicContact CH2-CD1 3.91Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; W78-F128 HydrophobicContact CE3-CB 3.76Å; W78-F128 HydrophobicContact CE3-CD1 4.41Å; W78-F128 HydrophobicContact CE3-CG 4.41Å; W78-F128 HydrophobicContact CZ3-CB 3.84Å; W78-V129 HydrophobicContact CH2-CG2 3.69Å; W78-V129 HydrophobicContact CZ3-CG2 3.87Å; W78-F132 HydrophobicContact CB-CE2 3.79Å; W78-F132 HydrophobicContact CB-CZ 4.09Å; W78-F132 HydrophobicContact CD2-CE2 4.21Å; W78-F132 HydrophobicContact CE3-CD2 4.27Å; W78-F132 HydrophobicContact CE3-CE2 4.07Å; W78-F132 HydrophobicContact CG-CE2 4.12Å; W78-M171 HydrophobicContact CB-CE 4.39Å; W78-M171 HydrophobicContact CG-CE 4.23Å; W78-M171 HydrophobicContact CG-SD 4.28Å; W78-W173 HydrophobicContact CD2-CZ3 4.34Å; W78-W173 HydrophobicContact CE3-CZ3 4.48Å; W78-W173 AromaticContact CH2-CH2 3.98Å; W78-W173 HydrophobicContact CH2-CH2 3.98Å; W78-W173 HydrophobicContact CH2-CZ3 4.1Å; W78-W173 HydrophobicContact CZ2-CH2 4.31Å; W78-W173 HydrophobicContact CZ2-CZ3 4Å; W78-W173 HydrophobicContact CZ3-CH2 4.21Å; W78-W173 HydrophobicContact CZ3-CZ3 4.36Å; W78-E176 HydrophobicContact CZ2-CB 4.03Å; W78-E176 PolarHBondContact NE1-OE2 2.92Å; W78-A180 HydrophobicContact CH2-CB 3.52Å; W78-A180 HydrophobicContact CZ2-CB 3.93Å |
| 79 | H | 95.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 27.2 Ų | 27.2 | 39% | 0.394 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.3 | -37.5 | -179.9 | -71.6 | -50.9 | 0 | 0 | 0 | 112.1 | E75 N76 A77 K83 M171 | E75-H79 PolarHBondContact O-CD2 2.87Å; E75-H79 PolarHBondContact O-N 2.92Å; N76-H79 PolarHBondContact O-N 3.15Å; A77-H79 PolarHBondContact O-N 2.83Å; H79-K83 WeakPolarHBondContact O-CB 3.3Å; H79-K83 PolarHBondContact O-N 2.91Å; H79-M171 WeakPolarHBondContact NE2-CE 3.2Å |
| 80 | I | 97.4 | Very high | 95 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -43.5 | 175.2 | -65.3 | 164.2 | 0 | 0 | 0 | 110.9 | L37 Q41 L44 L59 N76 A77 W78 G84 | L37-I80 HydrophobicContact CB-CD1 3.95Å; L37-I80 HydrophobicContact CD2-CD1 4.07Å; L37-I80 WeakPolarHBondContact O-CD1 3.32Å; Q41-I80 HydrophobicContact CB-CD1 4.12Å; Q41-I80 HydrophobicContact CB-CG1 4.15Å; Q41-I80 HydrophobicContact CG-CG1 4.44Å; L44-I80 HydrophobicContact CD2-CG2 4.49Å; L59-I80 HydrophobicContact CD1-CG2 4.25Å; L59-I80 HydrophobicContact CD2-CB 4.34Å; L59-I80 HydrophobicContact CD2-CG2 4.06Å; N76-I80 VanDerWaalsContact O-CG1 3.32Å; N76-I80 WeakPolarHBondContact O-CG1 3.4Å; N76-I80 PolarHBondContact O-N 3.47Å; A77-I80 PolarHBondContact O-N 3.36Å; W78-I80 VanDerWaalsContact C-N 3.26Å; W78-I80 PolarHBondContact O-N 3.12Å; I80-G84 WeakPolarHBondContact O-CA 3.48Å; I80-G84 PolarHBondContact O-N 2.65Å |
| 81 | V | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -53.9 | 179.1 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L59 A77 W78 K83 G84 Y85 L124 L125 F128 | L59-V81 HydrophobicContact CD1-CG2 3.92Å; L59-V81 HydrophobicContact CD2-CG2 4.13Å; L59-V81 HydrophobicContact CG-CG2 4.41Å; A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 2.89Å; W78-V81 PolarHBondContact O-N 3.4Å; W78-V81 VanDerWaalsContact O-N 3.12Å; V81-K83 PolarHBondContact O-N 2.65Å; V81-G84 PolarHBondContact O-N 3.21Å; V81-Y85 WeakPolarHBondContact O-CB 3.16Å; V81-Y85 PolarHBondContact O-N 2.84Å; V81-L124 HydrophobicContact CG1-CB 4.14Å; V81-L124 HydrophobicContact CG2-CB 4.42Å; V81-L125 HydrophobicContact CG1-CB 4.08Å; V81-L125 HydrophobicContact CG1-CD1 4Å; V81-F128 HydrophobicContact CG1-CD2 4.34Å; V81-F128 HydrophobicContact CG2-CD2 3.87Å; V81-F128 HydrophobicContact CG2-CE2 3.67Å; V81-F128 HydrophobicContact CG2-CG 4.48Å; V81-F128 HydrophobicContact CG2-CZ 4.13Å |
| 82 | L | 98 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 179.3 | -179.4 | 60.9 | 0 | 0 | 0 | 110.8 | W78 G84 Y85 E86 L125 E176 K179 A180 | W78-L82 HydrophobicContact CZ2-CB 4.42Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 3.43Å; W78-L82 PolarHBondContact O-N 3.16Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 2.96Å; L82-Y85 WeakPolarHBondContact O-CB 3.33Å; L82-Y85 PolarHBondContact O-N 2.74Å; L82-E86 WeakPolarHBondContact O-CG 3.2Å; L82-E86 PolarHBondContact O-N 2.79Å; L82-L125 HydrophobicContact CB-CD1 4.49Å; L82-L125 HydrophobicContact CD1-CD1 4.13Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.39Å; L82-K179 HydrophobicContact CD2-CB 4.16Å; L82-K179 HydrophobicContact CD2-CD 4.45Å; L82-A180 HydrophobicContact CD1-CB 4.16Å |
| 83 | K | 97.2 | Very high | 96 | Very high | 100 Ų | 100 | 30.3 Ų | 30.3 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 178.1 | -170.6 | 55.8 | 172.8 | -176 | 0 | 112.3 | L44 H79 V81 Y85 E86 V87 | L44-K83 HydrophobicContact CD2-CB 4.33Å; L44-K83 HydrophobicContact CD2-CG 4.29Å; H79-K83 WeakPolarHBondContact O-CB 3.3Å; H79-K83 PolarHBondContact O-N 2.91Å; V81-K83 PolarHBondContact O-N 2.65Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 3.08Å; K83-E86 VanDerWaalsContact CD-OE2 3.26Å; K83-E86 WeakPolarHBondContact CD-OE2 2.93Å; K83-E86 IonicContact NZ-OE2 3.58Å; K83-E86 PolarHBondContact NZ-OE2 3.01Å; K83-E86 PolarHBondContact O-N 3.34Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.5Å; K83-V87 PolarHBondContact O-N 2.88Å |
| 84 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I80 V81 L82 V87 C88 | I80-G84 WeakPolarHBondContact O-CA 3.48Å; I80-G84 PolarHBondContact O-N 2.65Å; V81-G84 PolarHBondContact O-N 3.21Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 2.96Å; G84-V87 PolarHBondContact O-N 3.43Å; G84-C88 WeakPolarHBondContact O-CB 3.36Å; G84-C88 PolarHBondContact O-N 3.13Å |
| 85 | Y | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 175.4 | -151.3 | -91.5 | 0 | 0 | 0 | 112.7 | V81 L82 K83 V87 C88 V89 H121 T122 L125 A183 L184 I187 | V81-Y85 WeakPolarHBondContact O-CB 3.16Å; V81-Y85 PolarHBondContact O-N 2.84Å; L82-Y85 WeakPolarHBondContact O-CB 3.33Å; L82-Y85 PolarHBondContact O-N 2.74Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 3.08Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 2.91Å; Y85-C88 CarbonylContact O-C 3.6Å; Y85-C88 WeakPolarHBondContact O-CA 3.48Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 2.92Å; Y85-C88 VanDerWaalsContact O-N 3.07Å; Y85-V89 HydrophobicContact CD1-CG2 4.12Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.43Å; Y85-V89 PolarHBondContact O-N 2.75Å; Y85-H121 HydrophobicContact CD2-CB 3.71Å; Y85-H121 HydrophobicContact CE2-CB 3.88Å; Y85-T122 VanDerWaalsContact CE2-CA 3.49Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.36Å; Y85-T122 PolarHBondContact OH-OG1 3.37Å; Y85-L125 HydrophobicContact CD1-CD2 3.64Å; Y85-L125 HydrophobicContact CD2-CB 3.97Å; Y85-L125 HydrophobicContact CD2-CD2 3.76Å; Y85-L125 HydrophobicContact CD2-CG 4.47Å; Y85-L125 HydrophobicContact CE1-CD2 3.94Å; Y85-L125 HydrophobicContact CE2-CB 4.34Å; Y85-L125 HydrophobicContact CE2-CD2 4.13Å; Y85-L125 HydrophobicContact CG-CB 4.47Å; Y85-L125 HydrophobicContact CG-CD2 3.51Å; Y85-A183 HydrophobicContact CD1-CB 3.79Å; Y85-A183 HydrophobicContact CE1-CB 4.32Å; Y85-L184 HydrophobicContact CE1-CD2 4.15Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.13Å; Y85-I187 HydrophobicContact CE1-CB 4.02Å; Y85-I187 HydrophobicContact CE1-CG2 3.99Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.31Å |
| 86 | E | 97.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -36.5 | 174.7 | -70.3 | 179.6 | 167.7 | 0 | 0 | 112.4 | L82 K83 R90 | L82-E86 WeakPolarHBondContact O-CG 3.2Å; L82-E86 PolarHBondContact O-N 2.79Å; K83-E86 VanDerWaalsContact CD-OE2 3.26Å; K83-E86 WeakPolarHBondContact CD-OE2 2.93Å; K83-E86 IonicContact NZ-OE2 3.58Å; K83-E86 PolarHBondContact NZ-OE2 3.01Å; K83-E86 PolarHBondContact O-N 3.34Å; E86-R90 PolarHBondContact O-N 2.94Å; E86-R90 PolarHBondContact O-NH2 3.39Å |
| 87 | V | 97.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L44 F49 K83 G84 Y85 R90 Q91 | L44-V87 HydrophobicContact CD1-CB 4.23Å; L44-V87 HydrophobicContact CD1-CG1 4.29Å; L44-V87 HydrophobicContact CD1-CG2 4.31Å; F49-V87 HydrophobicContact CB-CG1 4.35Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.5Å; K83-V87 PolarHBondContact O-N 2.88Å; G84-V87 PolarHBondContact O-N 3.43Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 2.91Å; V87-R90 PolarHBondContact O-N 2.95Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.34Å; V87-Q91 PolarHBondContact O-N 3.34Å |
| 88 | C | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 172.5 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | F49 G84 Y85 R90 L92 | F49-C88 VanDerWaalsContact CB-CA 3.49Å; F49-C88 HydrophobicContact CB-CB 3.76Å; F49-C88 HydrophobicContact CD2-CB 4.25Å; F49-C88 VanDerWaalsContact CD2-SG 3.56Å; F49-C88 HydrophobicContact CG-CB 4.26Å; G84-C88 WeakPolarHBondContact O-CB 3.36Å; G84-C88 PolarHBondContact O-N 3.13Å; Y85-C88 CarbonylContact O-C 3.6Å; Y85-C88 WeakPolarHBondContact O-CA 3.48Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 2.92Å; Y85-C88 VanDerWaalsContact O-N 3.07Å; C88-R90 VanDerWaalsContact C-N 3.34Å; C88-R90 PolarHBondContact O-N 3.46Å; C88-L92 WeakPolarHBondContact O-CA 3.42Å; C88-L92 WeakPolarHBondContact O-CB 2.93Å; C88-L92 PolarHBondContact O-N 3.45Å |
| 89 | V | 97.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.5 | -51 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | Y85 G93 Q186 I187 | Y85-V89 HydrophobicContact CD1-CG2 4.12Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.43Å; Y85-V89 PolarHBondContact O-N 2.75Å; V89-G93 WeakPolarHBondContact O-CA 3.29Å; V89-G93 PolarHBondContact O-N 3.41Å; V89-Q186 HydrophobicContact CG1-CB 3.77Å; V89-Q186 HydrophobicContact CG2-CB 4.39Å; V89-I187 VanDerWaalsContact CA-CD1 3.48Å; V89-I187 HydrophobicContact CB-CD1 4.11Å; V89-I187 HydrophobicContact CG2-CB 3.96Å; V89-I187 HydrophobicContact CG2-CD1 3.64Å; V89-I187 HydrophobicContact CG2-CG1 4.36Å |
| 90 | R | 96.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 37.8 Ų | 37.8 | 52% | 0.521 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71 | -47.6 | -175.4 | -165.9 | -171.8 | -43.7 | 88.5 | 15.8 | 113 | E86 V87 C88 S94 | E86-R90 PolarHBondContact O-N 2.94Å; E86-R90 PolarHBondContact O-NH2 3.39Å; V87-R90 PolarHBondContact O-N 2.95Å; C88-R90 VanDerWaalsContact C-N 3.34Å; C88-R90 PolarHBondContact O-N 3.46Å; R90-S94 PolarHBondContact O-N 3.2Å; R90-S94 VanDerWaalsContact O-N 3.09Å |
| 91 | Q | 95.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.4 | -44.1 | -175.5 | -70.5 | -177.3 | -15.2 | 0 | 0 | 111.1 | G48 F49 V87 G93 S94 V95 | G48-Q91 VanDerWaalsContact CA-OE1 3.26Å; F49-Q91 HydrophobicContact CD1-CB 3.8Å; F49-Q91 HydrophobicContact CE1-CB 4.2Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.34Å; V87-Q91 PolarHBondContact O-N 3.34Å; Q91-G93 VanDerWaalsContact C-N 3.32Å; Q91-G93 PolarHBondContact O-N 3.08Å; Q91-S94 PolarHBondContact O-N 3.37Å; Q91-V95 WeakPolarHBondContact O-CG2 3.22Å; Q91-V95 PolarHBondContact O-N 3.17Å |
| 92 | L | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -37 | 175.6 | -171 | 61.5 | 0 | 0 | 0 | 111.2 | F49 C88 V95 L96 H114 L118 I187 L192 L195 | F49-L92 HydrophobicContact CE2-CD1 4.41Å; F49-L92 HydrophobicContact CZ-CB 4.47Å; F49-L92 HydrophobicContact CZ-CD1 4.09Å; C88-L92 WeakPolarHBondContact O-CA 3.42Å; C88-L92 WeakPolarHBondContact O-CB 2.93Å; C88-L92 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 3.12Å; L92-L96 HydrophobicContact CD1-CD1 4.37Å; L92-L96 HydrophobicContact CD1-CG 4.29Å; L92-L96 HydrophobicContact CD2-CD1 4.49Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.26Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 2.88Å; L92-H114 HydrophobicContact CD1-CB 4.03Å; L92-L118 HydrophobicContact CD2-CB 4.36Å; L92-L118 HydrophobicContact CD2-CD1 4.18Å; L92-L118 HydrophobicContact CD2-CD2 4.21Å; L92-L118 HydrophobicContact CD2-CG 4.49Å; L92-I187 HydrophobicContact CD2-CD1 4.26Å; L92-L192 HydrophobicContact CD2-CD2 4.13Å; L92-L195 HydrophobicContact CD1-CD1 4.22Å; L92-L195 HydrophobicContact CD2-CD1 4.07Å |
| 93 | G | 92.8 | Very high | 89 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.1 | -50.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | V89 Q91 V95 L96 E97 | V89-G93 WeakPolarHBondContact O-CA 3.29Å; V89-G93 PolarHBondContact O-N 3.41Å; Q91-G93 VanDerWaalsContact C-N 3.32Å; Q91-G93 PolarHBondContact O-N 3.08Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 3.17Å; G93-L96 PolarHBondContact O-N 2.84Å; G93-E97 WeakPolarHBondContact O-CB 3.35Å; G93-E97 WeakPolarHBondContact O-CG 3.36Å; G93-E97 PolarHBondContact O-N 3.33Å |
| 94 | S | 91.1 | Very high | 87.7 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 54% | 0.538 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | R90 Q91 E97 S98 | R90-S94 PolarHBondContact O-N 3.2Å; R90-S94 VanDerWaalsContact O-N 3.09Å; Q91-S94 PolarHBondContact O-N 3.37Å; S94-E97 PolarHBondContact O-N 3.07Å; S94-S98 WeakPolarHBondContact O-CB 3.37Å; S94-S98 PolarHBondContact O-N 3.18Å |
| 95 | V | 89 | Confident | 86.7 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | Q91 L92 G93 E97 S98 T99 L106 | Q91-V95 WeakPolarHBondContact O-CG2 3.22Å; Q91-V95 PolarHBondContact O-N 3.17Å; L92-V95 PolarHBondContact O-N 3.12Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 3.17Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 2.87Å; V95-S98 PolarHBondContact O-N 3.18Å; V95-S98 PolarHBondContact O-OG 3.13Å; V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 VanDerWaalsContact O-N 3.1Å; V95-T99 PolarHBondContact O-OG1 2.89Å; V95-L106 HydrophobicContact CG1-CD1 4.18Å; V95-L106 HydrophobicContact CG1-CD2 3.84Å; V95-L106 HydrophobicContact CG1-CG 4.4Å |
| 96 | L | 89.4 | 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 | -22 | -178.7 | -67.7 | 174.7 | 0 | 0 | 0 | 113.8 | L92 G93 T99 Q100 L190 L192 Q194 L195 | L92-L96 HydrophobicContact CD1-CD1 4.37Å; L92-L96 HydrophobicContact CD1-CG 4.29Å; L92-L96 HydrophobicContact CD2-CD1 4.49Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.26Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 2.88Å; G93-L96 PolarHBondContact O-N 2.84Å; L96-T99 VanDerWaalsContact C-OG1 3.29Å; L96-T99 WeakPolarHBondContact CA-OG1 3.27Å; L96-T99 PolarHBondContact O-OG1 3.45Å; L96-Q100 VanDerWaalsContact O-CG 3.3Å; L96-Q100 WeakPolarHBondContact O-CG 3.46Å; L96-Q100 PolarHBondContact O-NE2 2.87Å; L96-L190 HydrophobicContact CD1-CB 3.98Å; L96-L190 HydrophobicContact CD1-CD1 4.45Å; L96-L192 HydrophobicContact CD1-CD2 3.98Å; L96-Q194 HydrophobicContact CD2-CB 4.01Å; L96-L195 HydrophobicContact CD2-CD2 4.18Å; L96-L195 HydrophobicContact CD2-CG 4.32Å |
| 97 | E | 87.4 | Confident | 85.3 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.8 | -40.9 | 170 | -76.1 | 173.9 | -176.6 | 0 | 0 | 110.9 | G93 S94 V95 T99 Q100 T101 | G93-E97 WeakPolarHBondContact O-CB 3.35Å; G93-E97 WeakPolarHBondContact O-CG 3.36Å; G93-E97 PolarHBondContact O-N 3.33Å; S94-E97 PolarHBondContact O-N 3.07Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 2.87Å; E97-T99 VanDerWaalsContact C-N 3.27Å; E97-T99 PolarHBondContact O-N 3.46Å; E97-Q100 WeakPolarHBondContact O-CB 3.47Å; E97-Q100 PolarHBondContact O-N 3.46Å; E97-Q100 VanDerWaalsContact O-N 3.1Å; E97-T101 PolarHBondContact O-N 3.39Å; E97-T101 PolarHBondContact O-OG1 2.93Å |
| 98 | S | 83.8 | Confident | 84.6 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -30.5 | 177 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | S94 V95 T101 Q103 S104 | S94-S98 WeakPolarHBondContact O-CB 3.37Å; S94-S98 PolarHBondContact O-N 3.18Å; V95-S98 PolarHBondContact O-N 3.18Å; V95-S98 PolarHBondContact O-OG 3.13Å; S98-T101 PolarHBondContact O-OG1 3.3Å; S98-Q103 PolarHBondContact O-N 3.2Å; S98-S104 PolarHBondContact O-N 3.44Å; S98-S104 VanDerWaalsContact O-N 3.16Å |
| 99 | T | 77.4 | Confident | 84.1 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 17% | 0.166 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.2 | -31.4 | 173 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | V95 L96 E97 G102 S104 L106 Q194 | V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 VanDerWaalsContact O-N 3.1Å; V95-T99 PolarHBondContact O-OG1 2.89Å; L96-T99 VanDerWaalsContact C-OG1 3.29Å; L96-T99 WeakPolarHBondContact CA-OG1 3.27Å; L96-T99 PolarHBondContact O-OG1 3.45Å; E97-T99 VanDerWaalsContact C-N 3.27Å; E97-T99 PolarHBondContact O-N 3.46Å; T99-G102 PolarHBondContact O-N 3.27Å; T99-S104 VanDerWaalsContact CA-O 3.3Å; T99-S104 WeakPolarHBondContact CA-O 3.38Å; T99-L106 HydrophobicContact CG2-CD1 3.8Å; T99-L106 HydrophobicContact CG2-CG 3.66Å; T99-Q194 PolarHBondContact OG1-OE1 3.07Å |
| 100 | Q | 69.7 | Low | 83.6 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.1 | -37.3 | 176.6 | -73.9 | 172.7 | 63.2 | 0 | 0 | 113 | L96 E97 G102 K191 | L96-Q100 VanDerWaalsContact O-CG 3.3Å; L96-Q100 WeakPolarHBondContact O-CG 3.46Å; L96-Q100 PolarHBondContact O-NE2 2.87Å; E97-Q100 WeakPolarHBondContact O-CB 3.47Å; E97-Q100 PolarHBondContact O-N 3.46Å; E97-Q100 VanDerWaalsContact O-N 3.1Å; Q100-G102 PolarHBondContact O-N 3.12Å; Q100-K191 HydrophobicContact CG-CD 4.3Å; Q100-K191 VanDerWaalsContact OE1-CE 3.28Å |
| 101 | T | 76.1 | Confident | 83.2 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.5 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | E97 S98 Q103 | E97-T101 PolarHBondContact O-N 3.39Å; E97-T101 PolarHBondContact O-OG1 2.93Å; S98-T101 PolarHBondContact O-OG1 3.3Å; T101-Q103 PolarHBondContact O-N 2.68Å; T101-Q103 VanDerWaalsContact OG1-CD 3.28Å; T101-Q103 VanDerWaalsContact OG1-CG 3.27Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q103 PolarHBondContact OG1-OE1 2.9Å |
| 102 | G | 70.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 9.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T99 Q100 S104 | T99-G102 PolarHBondContact O-N 3.27Å; Q100-G102 PolarHBondContact O-N 3.12Å; G102-S104 VanDerWaalsContact C-N 3.3Å |
| 103 | Q | 71.4 | Confident | 82.8 | Confident | 162 Ų | 162 | 68.7 Ų | 68.7 | 76% | 0.757 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -72.3 | -26.1 | 178.8 | -71.1 | 174.3 | -11.2 | 0 | 0 | 112.3 | S98 T101 | S98-Q103 PolarHBondContact O-N 3.2Å; T101-Q103 PolarHBondContact O-N 2.68Å; T101-Q103 VanDerWaalsContact OG1-CD 3.28Å; T101-Q103 VanDerWaalsContact OG1-CG 3.27Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q103 PolarHBondContact OG1-OE1 2.9Å |
| 104 | S | 71.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | trans | -140.3 | 144.8 | -179.3 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | S98 T99 G102 | S98-S104 PolarHBondContact O-N 3.44Å; S98-S104 VanDerWaalsContact O-N 3.16Å; T99-S104 VanDerWaalsContact CA-O 3.3Å; T99-S104 WeakPolarHBondContact CA-O 3.38Å; G102-S104 VanDerWaalsContact C-N 3.3Å | ||
| 105 | V | 75.2 | Confident | 83.1 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 78% | 0.782 | 36% | 0.362 | S | S | * | . | trans | -120.4 | 116.9 | 169 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | N107 | V105-N107 PolarHBondContact O-N 2.88Š| ||
| 106 | L | 80.6 | Confident | 83.4 | Confident | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | trans | -67.4 | 123.7 | 176.9 | -70.3 | 166.6 | 0 | 0 | 0 | 109.3 | V95 T99 E110 M111 L195 | V95-L106 HydrophobicContact CG1-CD1 4.18Å; V95-L106 HydrophobicContact CG1-CD2 3.84Å; V95-L106 HydrophobicContact CG1-CG 4.4Å; T99-L106 HydrophobicContact CG2-CD1 3.8Å; T99-L106 HydrophobicContact CG2-CG 3.66Å; L106-E110 HydrophobicContact CD2-CB 3.88Å; L106-M111 HydrophobicContact CB-CG 3.6Å; L106-M111 HydrophobicContact CD1-CG 4.39Å; L106-L195 HydrophobicContact CD1-CD2 4.24Å | ||
| 107 | N | 85.2 | Confident | 83.7 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | trans | -73.3 | 161.8 | 169.2 | 64.4 | 45.3 | 0 | 0 | 0 | 110.3 | V105 T109 E110 M111 | V105-N107 PolarHBondContact O-N 2.88Å; N107-T109 PolarHBondContact O-N 2.96Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 PolarHBondContact OD1-N 3.17Å; N107-T109 PolarHBondContact OD1-OG1 2.8Å; N107-E110 PolarHBondContact N-OE2 3.33Å; N107-E110 VanDerWaalsContact N-OE2 3.07Å; N107-E110 PolarHBondContact ND2-OE1 2.94Å; N107-E110 PolarHBondContact ND2-OE2 3.46Å; N107-E110 PolarHBondContact O-N 2.95Å; N107-E110 VanDerWaalsContact O-N 3.08Å; N107-E110 WeakPolarHBondContact OD1-CB 3.46Å; N107-E110 VanDerWaalsContact OD1-CG 3.22Å; N107-E110 WeakPolarHBondContact OD1-CG 3.45Å; N107-E110 PolarHBondContact OD1-N 3.35Å; N107-M111 WeakPolarHBondContact O-CG 3.3Å; N107-M111 PolarHBondContact O-N 3.05Å | ||
| 108 | R | 83.7 | Confident | 84.2 | Confident | 186 Ų | 186 | 60 Ų | 60 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57 | -31.8 | -177.4 | -171.9 | 168.9 | -179.1 | 160.6 | 1.6 | 113.2 | N112 | R108-N112 WeakPolarHBondContact O-CB 3.44Å; R108-N112 VanDerWaalsContact O-CG 3.22Å; R108-N112 PolarHBondContact O-N 3.08Å; R108-N112 VanDerWaalsContact O-N 3.12Å; R108-N112 PolarHBondContact O-ND2 2.85Å |
| 109 | T | 86.3 | Confident | 84.8 | Confident | 97 Ų | 97 | 59 Ų | 59 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.4 | -43 | 176.7 | 32.6 | 0 | 0 | 0 | 0 | 112.6 | N107 N112 T113 | N107-T109 PolarHBondContact O-N 2.96Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 PolarHBondContact OD1-N 3.17Å; N107-T109 PolarHBondContact OD1-OG1 2.8Å; T109-N112 PolarHBondContact O-N 3.46Å; T109-T113 WeakPolarHBondContact O-CB 3Å; T109-T113 PolarHBondContact O-N 3.46Å; T109-T113 PolarHBondContact O-OG1 2.84Å |
| 110 | E | 87.6 | Confident | 85.8 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 175.4 | -74.3 | 159.4 | -170.6 | 0 | 0 | 110.9 | L106 N107 N112 T113 H114 | L106-E110 HydrophobicContact CD2-CB 3.88Å; N107-E110 PolarHBondContact N-OE2 3.33Å; N107-E110 VanDerWaalsContact N-OE2 3.07Å; N107-E110 PolarHBondContact ND2-OE1 2.94Å; N107-E110 PolarHBondContact ND2-OE2 3.46Å; N107-E110 PolarHBondContact O-N 2.95Å; N107-E110 VanDerWaalsContact O-N 3.08Å; N107-E110 WeakPolarHBondContact OD1-CB 3.46Å; N107-E110 VanDerWaalsContact OD1-CG 3.22Å; N107-E110 WeakPolarHBondContact OD1-CG 3.45Å; N107-E110 PolarHBondContact OD1-N 3.35Å; E110-N112 PolarHBondContact O-N 3.19Å; E110-T113 WeakPolarHBondContact O-CB 3.27Å; E110-T113 PolarHBondContact O-N 3.35Å; E110-T113 VanDerWaalsContact O-N 3.15Å; E110-H114 WeakPolarHBondContact O-CB 3.4Å; E110-H114 VanDerWaalsContact O-CG 3.29Å; E110-H114 PolarHBondContact O-N 3.07Å |
| 111 | M | 88.5 | Confident | 87.1 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.3 | -51.5 | 173.7 | -69.9 | 178.3 | 59 | 0 | 0 | 111.3 | L106 N107 T113 H114 R115 Q194 | L106-M111 HydrophobicContact CB-CG 3.6Å; L106-M111 HydrophobicContact CD1-CG 4.39Å; N107-M111 WeakPolarHBondContact O-CG 3.3Å; N107-M111 PolarHBondContact O-N 3.05Å; M111-T113 VanDerWaalsContact C-N 3.31Å; M111-T113 PolarHBondContact O-N 3.34Å; M111-H114 PolarHBondContact O-N 3.34Å; M111-R115 VanDerWaalsContact O-CB 3.25Å; M111-R115 WeakPolarHBondContact O-CB 3.27Å; M111-R115 PolarHBondContact O-N 2.86Å; M111-Q194 WeakPolarHBondContact CE-O 3.24Å |
| 112 | N | 89.3 | Confident | 88.1 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 178.4 | -73.9 | -17.2 | 0 | 0 | 0 | 112.3 | R108 T109 E110 R115 N116 | R108-N112 WeakPolarHBondContact O-CB 3.44Å; R108-N112 VanDerWaalsContact O-CG 3.22Å; R108-N112 PolarHBondContact O-N 3.08Å; R108-N112 VanDerWaalsContact O-N 3.12Å; R108-N112 PolarHBondContact O-ND2 2.85Å; T109-N112 PolarHBondContact O-N 3.46Å; E110-N112 PolarHBondContact O-N 3.19Å; N112-R115 PolarHBondContact OD1-NH2 3.28Å; N112-N116 VanDerWaalsContact O-CB 3.31Å; N112-N116 WeakPolarHBondContact O-CB 3.42Å; N112-N116 VanDerWaalsContact O-CG 3.23Å; N112-N116 PolarHBondContact O-N 3.48Å |
| 113 | T | 92.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -49.9 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | T50 L53 T109 E110 M111 N116 A117 | T50-T113 HydrophobicContact CG2-CG2 4.45Å; L53-T113 HydrophobicContact CD1-CG2 3.38Å; T109-T113 WeakPolarHBondContact O-CB 3Å; T109-T113 PolarHBondContact O-N 3.46Å; T109-T113 PolarHBondContact O-OG1 2.84Å; E110-T113 WeakPolarHBondContact O-CB 3.27Å; E110-T113 PolarHBondContact O-N 3.35Å; E110-T113 VanDerWaalsContact O-N 3.15Å; M111-T113 VanDerWaalsContact C-N 3.31Å; M111-T113 PolarHBondContact O-N 3.34Å; T113-N116 PolarHBondContact O-N 2.96Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.4Å |
| 114 | H | 94.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 11% | 0.111 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 177.6 | -64.2 | 161.3 | 0 | 0 | 0 | 112.1 | F49 L92 E110 M111 A117 L118 L195 | F49-H114 HydrophobicContact CZ-CB 4.36Å; F49-H114 AromaticContact CZ-CD2 3.43Å; F49-H114 VanDerWaalsContact CZ-CD2 3.43Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.46Å; F49-H114 AromaticContact CZ-CG 3.96Å; L92-H114 HydrophobicContact CD1-CB 4.03Å; E110-H114 WeakPolarHBondContact O-CB 3.4Å; E110-H114 VanDerWaalsContact O-CG 3.29Å; E110-H114 PolarHBondContact O-N 3.07Å; M111-H114 PolarHBondContact O-N 3.34Å; H114-A117 PolarHBondContact O-N 3.44Å; H114-L118 VanDerWaalsContact O-CB 3.27Å; H114-L118 WeakPolarHBondContact O-CB 3.04Å; H114-L118 PolarHBondContact O-N 2.9Å; H114-L195 HydrophobicContact CB-CD2 3.88Å |
| 115 | R | 94.7 | Very high | 92 | Very high | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 174.9 | -175.3 | 175.9 | 69.8 | -151.9 | 13 | 111.6 | E3 M111 N112 L118 K119 L195 W196 | E3-R115 IonicContact OE1-CZ 3.32Å; E3-R115 IonicContact OE1-NH2 2.85Å; E3-R115 PolarHBondContact OE1-NH2 3.35Å; M111-R115 VanDerWaalsContact O-CB 3.25Å; M111-R115 WeakPolarHBondContact O-CB 3.27Å; M111-R115 PolarHBondContact O-N 2.86Å; N112-R115 PolarHBondContact OD1-NH2 3.28Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-K119 HydrophobicContact CG-CD 4.35Å; R115-K119 WeakPolarHBondContact O-CG 3.45Å; R115-K119 PolarHBondContact O-N 3.02Å; R115-L195 HydrophobicContact CB-CB 4.23Å; R115-L195 WeakPolarHBondContact CD-O 3.47Å; R115-L195 PolarHBondContact NH1-O 3.3Å; R115-W196 HydrophobicContact CG-CZ2 4.28Å |
| 116 | N | 95 | Very high | 93.1 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 177.9 | -77.9 | -10.9 | 0 | 0 | 0 | 111.3 | S2 F4 L53 N112 T113 L118 K119 M120 | S2-N116 PolarHBondContact O-ND2 2.68Å; S2-N116 VanDerWaalsContact O-ND2 3.12Å; F4-N116 HydrophobicContact CB-CB 4.25Å; F4-N116 PolarHBondContact N-OD1 3.23Å; L53-N116 HydrophobicContact CD2-CB 3.83Å; N112-N116 VanDerWaalsContact O-CB 3.31Å; N112-N116 WeakPolarHBondContact O-CB 3.42Å; N112-N116 VanDerWaalsContact O-CG 3.23Å; N112-N116 PolarHBondContact O-N 3.48Å; T113-N116 PolarHBondContact O-N 2.96Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.24Å; N116-K119 PolarHBondContact O-N 3.41Å; N116-M120 WeakPolarHBondContact O-CB 3.26Å; N116-M120 VanDerWaalsContact O-CG 3.3Å; N116-M120 WeakPolarHBondContact O-CG 3.27Å; N116-M120 PolarHBondContact O-N 3.1Å |
| 117 | A | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F49 I52 L53 T113 H114 M120 H121 | F49-A117 HydrophobicContact CD2-CB 3.85Å; F49-A117 HydrophobicContact CE2-CB 3.82Å; I52-A117 HydrophobicContact CG2-CB 3.75Å; L53-A117 HydrophobicContact CD1-CB 4.46Å; L53-A117 HydrophobicContact CD2-CB 4.06Å; L53-A117 HydrophobicContact CG-CB 4.19Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.4Å; H114-A117 PolarHBondContact O-N 3.44Å; A117-M120 PolarHBondContact O-N 3.38Å; A117-H121 WeakPolarHBondContact O-CB 3.37Å; A117-H121 PolarHBondContact O-CD2 2.98Å; A117-H121 PolarHBondContact O-N 3.27Å |
| 118 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59 | -50.7 | 175 | 172.6 | 63.5 | 0 | 0 | 0 | 111.9 | L92 H114 R115 N116 M120 H121 T122 I187 L192 L195 W196 F205 | L92-L118 HydrophobicContact CD2-CB 4.36Å; L92-L118 HydrophobicContact CD2-CD1 4.18Å; L92-L118 HydrophobicContact CD2-CD2 4.21Å; L92-L118 HydrophobicContact CD2-CG 4.49Å; H114-L118 VanDerWaalsContact O-CB 3.27Å; H114-L118 WeakPolarHBondContact O-CB 3.04Å; H114-L118 PolarHBondContact O-N 2.9Å; R115-L118 PolarHBondContact O-N 3.37Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.24Å; L118-M120 PolarHBondContact O-N 3.46Å; L118-H121 PolarHBondContact O-N 3.37Å; L118-T122 WeakPolarHBondContact O-CB 3.33Å; L118-T122 PolarHBondContact O-N 3.45Å; L118-T122 PolarHBondContact O-OG1 3.15Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å; L118-I187 HydrophobicContact CD1-CD1 4.16Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; L118-L192 HydrophobicContact CD2-CD1 4.16Å; L118-L192 HydrophobicContact CD2-CD2 3.89Å; L118-L195 HydrophobicContact CD2-CD1 3.81Å; L118-W196 HydrophobicContact CD2-CH2 4.02Å; L118-W196 HydrophobicContact CD2-CZ3 4.4Å; L118-F205 HydrophobicContact CD1-CE2 4.24Å; L118-F205 HydrophobicContact CD1-CZ 4.03Å; L118-F205 HydrophobicContact CD2-CE1 4.48Å; L118-F205 HydrophobicContact CD2-CE2 4.16Å; L118-F205 HydrophobicContact CD2-CZ 3.82Å; L118-F205 HydrophobicContact CG-CE2 3.79Å; L118-F205 HydrophobicContact CG-CZ 3.81Å |
| 119 | K | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 179.2 | -69.1 | 178.4 | -177.4 | -166.2 | 0 | 111.9 | F4 I6 R115 N116 T122 Y123 E202 F205 | F4-K119 HydrophobicContact CD1-CB 3.6Å; F4-K119 HydrophobicContact CD1-CD 4.41Å; F4-K119 HydrophobicContact CE1-CB 4.13Å; F4-K119 WeakPolarHBondContact O-CD 3.32Å; F4-K119 PolarHBondContact O-NZ 3.2Å; I6-K119 HydrophobicContact CD1-CD 4.46Å; I6-K119 HydrophobicContact CD1-CG 4.36Å; I6-K119 HydrophobicContact CG1-CB 4.44Å; I6-K119 HydrophobicContact CG1-CD 4.37Å; R115-K119 HydrophobicContact CG-CD 4.35Å; R115-K119 WeakPolarHBondContact O-CG 3.45Å; R115-K119 PolarHBondContact O-N 3.02Å; N116-K119 PolarHBondContact O-N 3.41Å; K119-T122 PolarHBondContact O-N 3.33Å; K119-Y123 WeakPolarHBondContact O-CB 3.43Å; K119-Y123 PolarHBondContact O-N 2.85Å; K119-E202 WeakPolarHBondContact CE-OE1 3.39Å; K119-E202 WeakPolarHBondContact CE-OE2 3.49Å; K119-E202 IonicContact NZ-OE1 2.71Å; K119-E202 PolarHBondContact NZ-OE1 3.21Å; K119-E202 IonicContact NZ-OE2 3.74Å; K119-E202 PolarHBondContact NZ-OE2 3.34Å; K119-F205 HydrophobicContact CG-CD2 4.1Å |
| 120 | M | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.7 | -78.9 | 178.4 | 170.5 | 0 | 0 | 111.7 | F4 Y22 I52 L53 F56 N116 A117 L118 L124 | F4-M120 HydrophobicContact CB-CE 4.1Å; F4-M120 HydrophobicContact CB-CG 4.23Å; F4-M120 HydrophobicContact CD1-CG 3.98Å; F4-M120 HydrophobicContact CD2-CE 3.46Å; F4-M120 VanDerWaalsContact CD2-CE 3.46Å; F4-M120 HydrophobicContact CD2-CG 3.49Å; F4-M120 VanDerWaalsContact CD2-CG 3.49Å; F4-M120 HydrophobicContact CD2-SD 4.33Å; F4-M120 HydrophobicContact CE1-CG 4.17Å; F4-M120 HydrophobicContact CE2-CE 4.2Å; F4-M120 HydrophobicContact CE2-CG 3.72Å; F4-M120 HydrophobicContact CG-CE 4.04Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.05Å; Y22-M120 HydrophobicContact CD1-CE 3.97Å; Y22-M120 HydrophobicContact CD2-CE 3.49Å; Y22-M120 VanDerWaalsContact CD2-CE 3.49Å; Y22-M120 HydrophobicContact CE1-CE 4.05Å; Y22-M120 HydrophobicContact CE2-CE 3.54Å; Y22-M120 HydrophobicContact CG-CE 3.71Å; I52-M120 HydrophobicContact CG1-CB 3.91Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.32Å; L53-M120 HydrophobicContact CD2-SD 3.95Å; F56-M120 HydrophobicContact CB-CE 4.43Å; F56-M120 HydrophobicContact CB-SD 4.13Å; F56-M120 HydrophobicContact CD2-CB 3.67Å; F56-M120 HydrophobicContact CD2-CG 3.64Å; F56-M120 HydrophobicContact CD2-SD 4.06Å; F56-M120 HydrophobicContact CE2-CB 3.93Å; F56-M120 HydrophobicContact CE2-CG 3.91Å; F56-M120 HydrophobicContact CG-CE 4.44Å; F56-M120 HydrophobicContact CG-CG 4.33Å; F56-M120 HydrophobicContact CG-SD 4.26Å; N116-M120 WeakPolarHBondContact O-CB 3.26Å; N116-M120 VanDerWaalsContact O-CG 3.3Å; N116-M120 WeakPolarHBondContact O-CG 3.27Å; N116-M120 PolarHBondContact O-N 3.1Å; A117-M120 PolarHBondContact O-N 3.38Å; L118-M120 PolarHBondContact O-N 3.46Å; M120-L124 WeakPolarHBondContact O-CG 3.48Å; M120-L124 PolarHBondContact O-N 3.4Å |
| 121 | H | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 176.6 | -86.5 | -48.1 | 0 | 0 | 0 | 112.2 | F49 Y51 I52 Y85 A117 L118 L124 L125 | F49-H121 PolarHBondContact O-NE2 3.12Å; Y51-H121 AromaticContact CE1-CE1 3.45Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.45Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.45Å; Y51-H121 AromaticContact CE1-NE2 3.94Å; Y51-H121 AromaticContact CZ-CE1 4Å; I52-H121 WeakPolarHBondContact CB-NE2 3.39Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.21Å; Y85-H121 HydrophobicContact CD2-CB 3.71Å; Y85-H121 HydrophobicContact CE2-CB 3.88Å; A117-H121 WeakPolarHBondContact O-CB 3.37Å; A117-H121 PolarHBondContact O-CD2 2.98Å; A117-H121 PolarHBondContact O-N 3.27Å; L118-H121 PolarHBondContact O-N 3.37Å; H121-L124 PolarHBondContact O-N 3.45Å; H121-L125 WeakPolarHBondContact O-CB 3.43Å; H121-L125 PolarHBondContact O-N 3.21Å |
| 122 | T | 98 | Very high | 96 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | -178.3 | -60 | 0 | 0 | 0 | 0 | 110.9 | Y85 L118 K119 L125 C126 L184 F205 L208 | Y85-T122 VanDerWaalsContact CE2-CA 3.49Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.36Å; Y85-T122 PolarHBondContact OH-OG1 3.37Å; L118-T122 WeakPolarHBondContact O-CB 3.33Å; L118-T122 PolarHBondContact O-N 3.45Å; L118-T122 PolarHBondContact O-OG1 3.15Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å; K119-T122 PolarHBondContact O-N 3.33Å; T122-L125 PolarHBondContact O-N 3.1Å; T122-C126 WeakPolarHBondContact O-CB 3.28Å; T122-C126 PolarHBondContact O-N 2.92Å; T122-C126 PolarHBondContact O-SG 3.46Å; T122-C126 VanDerWaalsContact O-SG 3.36Å; T122-L184 HydrophobicContact CG2-CD2 4.11Å; T122-F205 HydrophobicContact CG2-CE2 3.98Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.49Å; T122-L208 HydrophobicContact CG2-CB 3.95Å; T122-L208 HydrophobicContact CG2-CD1 4.04Å |
| 123 | Y | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.7 | -51.7 | 174.7 | 177.3 | -100.2 | 0 | 0 | 0 | 111.2 | F4 P7 L13 F56 F60 K119 Q127 L208 | F4-Y123 HydrophobicContact CZ-CD1 4.24Å; F4-Y123 HydrophobicContact CZ-CG 4.27Å; P7-Y123 HydrophobicContact CG-CD2 4.1Å; P7-Y123 HydrophobicContact CG-CE1 4.36Å; P7-Y123 HydrophobicContact CG-CE2 3.37Å; L13-Y123 HydrophobicContact CD1-CD1 4.41Å; L13-Y123 HydrophobicContact CD1-CE1 3.64Å; F56-Y123 HydrophobicContact CE2-CD1 4.12Å; 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 4.45Å; K119-Y123 WeakPolarHBondContact O-CB 3.43Å; K119-Y123 PolarHBondContact O-N 2.85Å; Y123-Q127 HydrophobicContact CD1-CG 4.26Å; Y123-Q127 HydrophobicContact CD2-CG 4.06Å; Y123-Q127 HydrophobicContact CE1-CG 3.93Å; Y123-Q127 HydrophobicContact CE2-CG 3.68Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 VanDerWaalsContact O-CB 3.31Å; Y123-Q127 WeakPolarHBondContact O-CB 3.07Å; Y123-Q127 WeakPolarHBondContact O-CG 3.08Å; Y123-Q127 PolarHBondContact O-N 3.04Å; Y123-L208 HydrophobicContact CD2-CD2 4.11Å |
| 124 | L | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 179.9 | -70.8 | 174.5 | 0 | 0 | 0 | 111.7 | I52 F56 L59 L63 V81 M120 H121 C126 Q127 F128 | I52-L124 HydrophobicContact CD1-CD1 3.63Å; I52-L124 HydrophobicContact CG1-CD1 4.35Å; F56-L124 HydrophobicContact CD2-CD1 3.74Å; F56-L124 HydrophobicContact CD2-CD2 4.42Å; F56-L124 HydrophobicContact CD2-CG 4.06Å; F56-L124 HydrophobicContact CE2-CD1 3.9Å; F56-L124 HydrophobicContact CE2-CD2 3.9Å; F56-L124 HydrophobicContact CE2-CG 3.67Å; F56-L124 HydrophobicContact CZ-CD2 4.24Å; F56-L124 HydrophobicContact CZ-CG 4.47Å; L59-L124 HydrophobicContact CB-CD1 3.86Å; L59-L124 HydrophobicContact CB-CD2 4.38Å; L59-L124 HydrophobicContact CD1-CD1 3.93Å; L63-L124 HydrophobicContact CD1-CD2 3.55Å; V81-L124 HydrophobicContact CG1-CB 4.14Å; V81-L124 HydrophobicContact CG2-CB 4.42Å; M120-L124 WeakPolarHBondContact O-CG 3.48Å; M120-L124 PolarHBondContact O-N 3.4Å; H121-L124 PolarHBondContact O-N 3.45Å; L124-C126 PolarHBondContact O-N 3.39Å; L124-Q127 PolarHBondContact O-N 3.22Å; L124-F128 HydrophobicContact CD2-CE2 4.46Å; L124-F128 WeakPolarHBondContact O-CB 3.39Å; L124-F128 VanDerWaalsContact O-CD2 3.29Å; L124-F128 WeakPolarHBondContact O-CD2 3.26Å; L124-F128 PolarHBondContact O-N 3.39Å |
| 125 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | -178.4 | -174.7 | 65.3 | 0 | 0 | 0 | 111.6 | W78 V81 L82 Y85 H121 T122 Q127 F128 V129 A180 L184 | W78-L125 HydrophobicContact CH2-CD1 3.91Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; V81-L125 HydrophobicContact CG1-CB 4.08Å; 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 3.64Å; Y85-L125 HydrophobicContact CD2-CB 3.97Å; Y85-L125 HydrophobicContact CD2-CD2 3.76Å; Y85-L125 HydrophobicContact CD2-CG 4.47Å; Y85-L125 HydrophobicContact CE1-CD2 3.94Å; Y85-L125 HydrophobicContact CE2-CB 4.34Å; Y85-L125 HydrophobicContact CE2-CD2 4.13Å; Y85-L125 HydrophobicContact CG-CB 4.47Å; Y85-L125 HydrophobicContact CG-CD2 3.51Å; H121-L125 WeakPolarHBondContact O-CB 3.43Å; H121-L125 PolarHBondContact O-N 3.21Å; T122-L125 PolarHBondContact O-N 3.1Å; L125-Q127 PolarHBondContact O-N 3Å; L125-F128 PolarHBondContact O-N 2.74Å; L125-V129 WeakPolarHBondContact O-CG2 3.4Å; L125-V129 PolarHBondContact O-N 3.37Å; L125-A180 HydrophobicContact CD1-CB 4.03Å; L125-A180 HydrophobicContact CD2-CB 4.45Å; L125-A180 HydrophobicContact CG-CB 4.43Å; L125-L184 HydrophobicContact CD2-CD1 4.46Å; L125-L184 HydrophobicContact CD2-CD2 3.98Å; L125-L184 HydrophobicContact CD2-CG 3.86Å |
| 126 | C | 98.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 5% | 0.054 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 178 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | T122 L124 V129 D130 C212 | T122-C126 WeakPolarHBondContact O-CB 3.28Å; T122-C126 PolarHBondContact O-N 2.92Å; T122-C126 PolarHBondContact O-SG 3.46Å; T122-C126 VanDerWaalsContact O-SG 3.36Å; L124-C126 PolarHBondContact O-N 3.39Å; C126-V129 PolarHBondContact O-N 3.25Å; C126-D130 WeakPolarHBondContact O-CB 3.48Å; C126-D130 PolarHBondContact O-N 3.43Å; C126-C212 HydrophobicContact CB-CB 4.29Å |
| 127 | Q | 96.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 15.8 Ų | 15.8 | 18% | 0.182 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 177.6 | -70.6 | -66.6 | -47.8 | 0 | 0 | 112.4 | L63 Y123 L124 L125 D130 M131 | L63-Q127 HydrophobicContact CD1-CB 3.73Å; L63-Q127 HydrophobicContact CD2-CB 4.23Å; Y123-Q127 HydrophobicContact CD1-CG 4.26Å; Y123-Q127 HydrophobicContact CD2-CG 4.06Å; Y123-Q127 HydrophobicContact CE1-CG 3.93Å; Y123-Q127 HydrophobicContact CE2-CG 3.68Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 VanDerWaalsContact O-CB 3.31Å; Y123-Q127 WeakPolarHBondContact O-CB 3.07Å; Y123-Q127 WeakPolarHBondContact O-CG 3.08Å; Y123-Q127 PolarHBondContact O-N 3.04Å; L124-Q127 PolarHBondContact O-N 3.22Å; L125-Q127 PolarHBondContact O-N 3Å; Q127-D130 PolarHBondContact O-N 3.48Å; Q127-M131 WeakPolarHBondContact O-CG 3.45Å; Q127-M131 PolarHBondContact O-N 3.34Å |
| 128 | F | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 175.7 | -92.5 | -94.5 | 0 | 0 | 0 | 111.3 | V62 L63 W66 A77 W78 V81 L124 L125 D130 M131 F132 | V62-F128 HydrophobicContact CB-CZ 4.15Å; V62-F128 HydrophobicContact CG1-CE1 4.18Å; V62-F128 HydrophobicContact CG1-CZ 4.06Å; L63-F128 HydrophobicContact CD1-CD2 3.87Å; L63-F128 HydrophobicContact CD1-CE2 3.76Å; L63-F128 HydrophobicContact CD2-CD1 4.33Å; L63-F128 HydrophobicContact CD2-CD2 3.58Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.69Å; L63-F128 HydrophobicContact CD2-CG 3.93Å; L63-F128 HydrophobicContact CD2-CZ 4.13Å; 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 3.99Å; W66-F128 HydrophobicContact CH2-CD1 4.24Å; W66-F128 AromaticContact CZ3-CD1 3.87Å; W66-F128 HydrophobicContact CZ3-CD1 3.87Å; W66-F128 AromaticContact CZ3-CE1 3.84Å; W66-F128 HydrophobicContact CZ3-CE1 3.84Å; A77-F128 HydrophobicContact CB-CE1 3.74Å; A77-F128 HydrophobicContact CB-CZ 3.78Å; W78-F128 HydrophobicContact CE3-CB 3.76Å; W78-F128 HydrophobicContact CE3-CD1 4.41Å; W78-F128 HydrophobicContact CE3-CG 4.41Å; W78-F128 HydrophobicContact CZ3-CB 3.84Å; V81-F128 HydrophobicContact CG1-CD2 4.34Å; V81-F128 HydrophobicContact CG2-CD2 3.87Å; V81-F128 HydrophobicContact CG2-CE2 3.67Å; V81-F128 HydrophobicContact CG2-CG 4.48Å; V81-F128 HydrophobicContact CG2-CZ 4.13Å; L124-F128 HydrophobicContact CD2-CE2 4.46Å; L124-F128 WeakPolarHBondContact O-CB 3.39Å; L124-F128 VanDerWaalsContact O-CD2 3.29Å; L124-F128 WeakPolarHBondContact O-CD2 3.26Å; L124-F128 PolarHBondContact O-N 3.39Å; L125-F128 PolarHBondContact O-N 2.74Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 2.99Å; F128-M131 PolarHBondContact O-N 2.83Å; F128-F132 HydrophobicContact CD1-CE2 4.01Å; F128-F132 VanDerWaalsContact O-CD2 3.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.44Å; F128-F132 PolarHBondContact O-N 3.47Å |
| 129 | V | 97.3 | Very high | 93 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.8 | -51.1 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | W78 L125 C126 M131 F132 E133 W173 A180 L216 | W78-V129 HydrophobicContact CH2-CG2 3.69Å; W78-V129 HydrophobicContact CZ3-CG2 3.87Å; L125-V129 WeakPolarHBondContact O-CG2 3.4Å; L125-V129 PolarHBondContact O-N 3.37Å; C126-V129 PolarHBondContact O-N 3.25Å; V129-M131 PolarHBondContact O-N 3.41Å; V129-F132 PolarHBondContact O-N 3.36Å; V129-E133 HydrophobicContact CG1-CG 4.27Å; V129-E133 WeakPolarHBondContact O-CB 3.07Å; V129-E133 VanDerWaalsContact O-CG 3.28Å; V129-E133 WeakPolarHBondContact O-CG 3.09Å; V129-E133 PolarHBondContact O-N 2.78Å; V129-W173 HydrophobicContact CG1-CZ2 4.31Å; V129-W173 HydrophobicContact CG2-CH2 4.36Å; V129-A180 HydrophobicContact CG2-CB 4.04Å; V129-L216 HydrophobicContact CG1-CD1 4.28Å; V129-L216 HydrophobicContact CG1-CD2 3.87Å; V129-L216 HydrophobicContact CG1-CG 4.29Å |
| 130 | D | 94.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 23.7 Ų | 23.7 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.1 | -48.5 | 177.4 | -176.9 | -24.4 | 0 | 0 | 0 | 112.2 | C126 Q127 F128 E133 N134 K215 | C126-D130 WeakPolarHBondContact O-CB 3.48Å; C126-D130 PolarHBondContact O-N 3.43Å; Q127-D130 PolarHBondContact O-N 3.48Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 2.99Å; D130-E133 PolarHBondContact O-N 3.03Å; D130-N134 WeakPolarHBondContact O-CB 3.4Å; D130-N134 PolarHBondContact O-N 2.91Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 PolarHBondContact OD1-ND2 2.92Å; D130-K215 HydrophobicContact CB-CD 4.37Å; D130-K215 VanDerWaalsContact OD1-CE 3.32Å; D130-K215 WeakPolarHBondContact OD1-CE 3.4Å; D130-K215 IonicContact OD1-NZ 2.65Å; D130-K215 PolarHBondContact OD1-NZ 2.92Å; D130-K215 IonicContact OD2-NZ 2.65Å; D130-K215 PolarHBondContact OD2-NZ 3.29Å; D130-K215 VanDerWaalsContact OD2-NZ 3.08Å |
| 131 | M | 93.5 | Very high | 90.4 | Very high | 32 Ų | 32 | 31 Ų | 31 | 16% | 0.158 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | -177.9 | -66.3 | -60.8 | 91.8 | 0 | 0 | 113.1 | K10 L63 W66 Q127 F128 V129 E135 | K10-M131 PolarHBondContact NZ-SD 2.83Å; L63-M131 HydrophobicContact CD2-CB 4.48Å; L63-M131 HydrophobicContact CD2-CG 3.72Å; W66-M131 HydrophobicContact CD2-CB 3.72Å; W66-M131 HydrophobicContact CD2-CG 4.09Å; W66-M131 VanDerWaalsContact CE2-CB 3.49Å; W66-M131 HydrophobicContact CE3-CB 3.93Å; W66-M131 HydrophobicContact CE3-CG 4.17Å; W66-M131 HydrophobicContact CG-CB 4.42Å; W66-M131 HydrophobicContact CH2-CB 3.69Å; W66-M131 HydrophobicContact CZ2-CB 3.5Å; W66-M131 VanDerWaalsContact CZ2-CB 3.5Å; W66-M131 HydrophobicContact CZ3-CB 3.9Å; W66-M131 HydrophobicContact CZ3-CG 4.46Å; Q127-M131 WeakPolarHBondContact O-CG 3.45Å; Q127-M131 PolarHBondContact O-N 3.34Å; F128-M131 PolarHBondContact O-N 2.83Å; V129-M131 PolarHBondContact O-N 3.41Å; M131-E135 WeakPolarHBondContact O-CB 3.4Å; M131-E135 PolarHBondContact O-N 3.05Å; M131-E135 VanDerWaalsContact O-N 3.1Å |
| 132 | F | 93.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 175.1 | -84.3 | -70.4 | 0 | 0 | 0 | 111.8 | W66 K74 W78 F128 V129 N134 E135 L136 L169 W173 | W66-F132 HydrophobicContact CH2-CD1 4.29Å; W66-F132 AromaticContact CH2-CD2 3.84Å; W66-F132 HydrophobicContact CH2-CD2 3.84Å; W66-F132 HydrophobicContact CH2-CE1 4.2Å; W66-F132 AromaticContact CH2-CE2 3.73Å; W66-F132 HydrophobicContact CH2-CE2 3.73Å; W66-F132 HydrophobicContact CH2-CG 4.11Å; W66-F132 AromaticContact CH2-CZ 3.93Å; W66-F132 HydrophobicContact CH2-CZ 3.93Å; W66-F132 HydrophobicContact CZ2-CD1 4.22Å; W66-F132 HydrophobicContact CZ2-CD2 4.41Å; W66-F132 HydrophobicContact CZ2-CE1 4.39Å; W66-F132 HydrophobicContact CZ2-CG 4.23Å; K74-F132 HydrophobicContact CB-CE1 4.27Å; K74-F132 HydrophobicContact CB-CZ 3.95Å; W78-F132 HydrophobicContact CB-CE2 3.79Å; W78-F132 HydrophobicContact CB-CZ 4.09Å; W78-F132 HydrophobicContact CD2-CE2 4.21Å; W78-F132 HydrophobicContact CE3-CD2 4.27Å; W78-F132 HydrophobicContact CE3-CE2 4.07Å; W78-F132 HydrophobicContact CG-CE2 4.12Å; F128-F132 HydrophobicContact CD1-CE2 4.01Å; F128-F132 VanDerWaalsContact O-CD2 3.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.44Å; F128-F132 PolarHBondContact O-N 3.47Å; V129-F132 PolarHBondContact O-N 3.36Å; F132-N134 PolarHBondContact O-N 3.3Å; F132-E135 PolarHBondContact O-N 2.76Å; F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.44Å; F132-L136 PolarHBondContact O-N 3.26Å; F132-L169 HydrophobicContact CD1-CD1 4.28Å; F132-L169 HydrophobicContact CD1-CD2 4.28Å; F132-L169 HydrophobicContact CE1-CD2 3.84Å; F132-W173 HydrophobicContact CB-CD2 4.23Å; F132-W173 HydrophobicContact CB-CE3 4.06Å; F132-W173 HydrophobicContact CB-CH2 3.43Å; F132-W173 VanDerWaalsContact CB-CH2 3.43Å; F132-W173 HydrophobicContact CB-CZ2 3.57Å; F132-W173 HydrophobicContact CB-CZ3 3.67Å; F132-W173 HydrophobicContact CD1-CE3 4.45Å; F132-W173 HydrophobicContact CD1-CZ3 4.37Å; F132-W173 HydrophobicContact CD2-CE3 4.41Å; 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 4.3Å; F132-W173 HydrophobicContact CG-CE3 4.08Å; F132-W173 AromaticContact CG-CH2 3.85Å; F132-W173 HydrophobicContact CG-CH2 3.85Å; F132-W173 HydrophobicContact CG-CZ2 4.44Å; F132-W173 AromaticContact CG-CZ3 3.63Å; F132-W173 HydrophobicContact CG-CZ3 3.63Å |
| 133 | E | 90.8 | Very high | 86.6 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 178.2 | -74.7 | -64.4 | 164.2 | 0 | 0 | 112.2 | V129 D130 E135 L136 N137 W173 L216 I222 | V129-E133 HydrophobicContact CG1-CG 4.27Å; V129-E133 WeakPolarHBondContact O-CB 3.07Å; V129-E133 VanDerWaalsContact O-CG 3.28Å; V129-E133 WeakPolarHBondContact O-CG 3.09Å; V129-E133 PolarHBondContact O-N 2.78Å; D130-E133 PolarHBondContact O-N 3.03Å; E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 3.03Å; E133-L136 PolarHBondContact O-N 3.01Å; E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.39Å; E133-N137 PolarHBondContact O-N 3.38Å; E133-N137 PolarHBondContact O-ND2 3.3Å; E133-N137 VanDerWaalsContact O-ND2 3.08Å; E133-W173 VanDerWaalsContact CD-NE1 3.35Å; E133-W173 HydrophobicContact CG-CZ2 4.12Å; E133-W173 PolarHBondContact OE1-NE1 2.96Å; E133-L216 HydrophobicContact CG-CD2 3.62Å; E133-L216 VanDerWaalsContact OE1-CD2 3.28Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.37Å; E133-I222 VanDerWaalsContact OE1-CD1 3.25Å; E133-I222 WeakPolarHBondContact OE1-CD1 3.29Å |
| 134 | N | 90.1 | Very high | 84.4 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.353 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 178.1 | -67.3 | -26.3 | 0 | 0 | 0 | 111.9 | D130 F132 A138 K215 | D130-N134 WeakPolarHBondContact O-CB 3.4Å; D130-N134 PolarHBondContact O-N 2.91Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 PolarHBondContact OD1-ND2 2.92Å; F132-N134 PolarHBondContact O-N 3.3Å; N134-A138 VanDerWaalsContact O-CB 3.28Å; N134-A138 WeakPolarHBondContact O-CB 3.45Å; N134-A138 PolarHBondContact O-N 3.09Å; N134-K215 PolarHBondContact ND2-NZ 2.97Å; N134-K215 WeakPolarHBondContact OD1-CE 3.43Å; N134-K215 PolarHBondContact OD1-NZ 3.39Å |
| 135 | E | 89 | Confident | 81.9 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -44 | 179.6 | -175.9 | 167.7 | -172.3 | 0 | 0 | 111.5 | W66 K74 M131 F132 E133 N137 A138 N139 L167 | W66-E135 VanDerWaalsContact CE2-OE2 3.26Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.49Å; W66-E135 PolarHBondContact NE1-OE2 3.23Å; K74-E135 IonicContact NZ-OE1 2.75Å; K74-E135 PolarHBondContact NZ-OE1 3.44Å; K74-E135 IonicContact NZ-OE2 3.71Å; K74-E135 PolarHBondContact NZ-OE2 2.91Å; M131-E135 WeakPolarHBondContact O-CB 3.4Å; M131-E135 PolarHBondContact O-N 3.05Å; M131-E135 VanDerWaalsContact O-N 3.1Å; F132-E135 PolarHBondContact O-N 2.76Å; E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 3.03Å; E135-N137 PolarHBondContact O-N 2.92Å; E135-A138 PolarHBondContact O-N 2.99Å; E135-N139 WeakPolarHBondContact O-CB 3.47Å; E135-N139 PolarHBondContact O-N 3.1Å; E135-N139 PolarHBondContact O-ND2 2.85Å; E135-L167 HydrophobicContact CG-CD2 4.04Å |
| 136 | L | 86.3 | Confident | 79.2 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.8 | -71.4 | 172.8 | 0 | 0 | 0 | 111.6 | F132 E133 N139 A140 L169 W173 | F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.44Å; F132-L136 PolarHBondContact O-N 3.26Å; E133-L136 PolarHBondContact O-N 3.01Å; L136-N139 PolarHBondContact O-N 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.07Å; L136-L169 HydrophobicContact CD1-CD1 4.14Å; L136-L169 HydrophobicContact CD2-CD1 3.87Å; L136-L169 HydrophobicContact CG-CD1 4.33Å; L136-W173 HydrophobicContact CD1-CB 3.98Å; L136-W173 HydrophobicContact CD1-CD2 4.09Å; L136-W173 HydrophobicContact CD1-CG 3.47Å; L136-W173 VanDerWaalsContact CD1-CG 3.47Å |
| 137 | N | 84 | Confident | 76.3 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.9 | -89.4 | -62.9 | 0 | 0 | 0 | 113.3 | E133 E135 N139 A140 K141 D219 | E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.39Å; E133-N137 PolarHBondContact O-N 3.38Å; E133-N137 PolarHBondContact O-ND2 3.3Å; E133-N137 VanDerWaalsContact O-ND2 3.08Å; E135-N137 PolarHBondContact O-N 2.92Å; N137-N139 VanDerWaalsContact C-N 3.32Å; N137-A140 PolarHBondContact O-N 2.82Å; N137-K141 WeakPolarHBondContact O-CG 3.46Å; N137-K141 PolarHBondContact O-N 3.08Å; N137-D219 PolarHBondContact ND2-OD2 2.87Å; N137-D219 PolarHBondContact OD1-OD2 3.46Å; N137-D219 VanDerWaalsContact OD1-OD2 3.14Å |
| 138 | A | 82.7 | Confident | 73.4 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N134 E135 S142 | N134-A138 VanDerWaalsContact O-CB 3.28Å; N134-A138 WeakPolarHBondContact O-CB 3.45Å; N134-A138 PolarHBondContact O-N 3.09Å; E135-A138 PolarHBondContact O-N 2.99Å; A138-S142 WeakPolarHBondContact O-CB 3.34Å; A138-S142 PolarHBondContact O-N 2.86Å; A138-S142 PolarHBondContact O-OG 3.36Å |
| 139 | N | 73.8 | Confident | 70.2 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 177.5 | -70.6 | -17.7 | 0 | 0 | 0 | 112 | E135 L136 N137 K141 S142 A143 | E135-N139 WeakPolarHBondContact O-CB 3.47Å; E135-N139 PolarHBondContact O-N 3.1Å; E135-N139 PolarHBondContact O-ND2 2.85Å; L136-N139 PolarHBondContact O-N 3.4Å; N137-N139 VanDerWaalsContact C-N 3.32Å; N139-K141 PolarHBondContact O-N 3Å; N139-S142 PolarHBondContact O-N 3.04Å; N139-A143 WeakPolarHBondContact O-CB 3.37Å; N139-A143 PolarHBondContact O-N 2.78Å |
| 140 | A | 71.9 | Confident | 67.1 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L136 N137 S142 A143 V144 | L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.07Å; N137-A140 PolarHBondContact O-N 2.82Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.86Å; A140-A143 PolarHBondContact O-N 3.01Å; A140-V144 WeakPolarHBondContact O-CG2 3.27Å; A140-V144 PolarHBondContact O-N 2.59Å; A140-V144 VanDerWaalsContact O-N 3.09Å |
| 141 | K | 67 | Low | 64 | Low | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.8 | -39 | 175 | -73.1 | 174.8 | -176.6 | 174.3 | 0 | 112.4 | N137 N139 G145 | N137-K141 WeakPolarHBondContact O-CG 3.46Å; N137-K141 PolarHBondContact O-N 3.08Å; N139-K141 PolarHBondContact O-N 3Å; K141-G145 PolarHBondContact O-N 3.31Å |
| 142 | S | 61.9 | Low | 60.8 | Low | 84 Ų | 84 | 83.5 Ų | 83.5 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | A138 N139 A140 G146 | A138-S142 WeakPolarHBondContact O-CB 3.34Å; A138-S142 PolarHBondContact O-N 2.86Å; A138-S142 PolarHBondContact O-OG 3.36Å; N139-S142 PolarHBondContact O-N 3.04Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.86Å; S142-G146 PolarHBondContact O-N 3.31Å |
| 143 | A | 55.2 | Low | 57.6 | Low | 62 Ų | 62 | 86.7 Ų | 86.7 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N139 A140 | N139-A143 WeakPolarHBondContact O-CB 3.37Å; N139-A143 PolarHBondContact O-N 2.78Å; A140-A143 PolarHBondContact O-N 3.01Å |
| 144 | V | 51.4 | Low | 54.6 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.3 | -40.3 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | A140 G146 N147 | A140-V144 WeakPolarHBondContact O-CG2 3.27Å; A140-V144 PolarHBondContact O-N 2.59Å; A140-V144 VanDerWaalsContact O-N 3.09Å; V144-G146 PolarHBondContact O-N 3.35Å; V144-N147 PolarHBondContact O-N 2.9Å; V144-N147 VanDerWaalsContact O-N 3.14Å |
| 145 | G | 46.2 | Very low | 51.6 | Low | 54 Ų | 54 | 98 Ų | 98 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.2 | -27.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K141 N147 | K141-G145 PolarHBondContact O-N 3.31Å; G145-N147 VanDerWaalsContact C-N 3.25Å; G145-N147 PolarHBondContact O-N 2.97Å |
| 146 | G | 42 | Very low | 48.5 | Very low | 62 Ų | 62 | 100.7 Ų | 100.7 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -15.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S142 V144 | S142-G146 PolarHBondContact O-N 3.31Å; V144-G146 PolarHBondContact O-N 3.35Å |
| 147 | N | 37.4 | Very low | 45.6 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 3.1 | -176.3 | -81.5 | -8.2 | 0 | 0 | 0 | 114.5 | V144 G145 G149 | V144-N147 PolarHBondContact O-N 2.9Å; V144-N147 VanDerWaalsContact O-N 3.14Å; G145-N147 VanDerWaalsContact C-N 3.25Å; G145-N147 PolarHBondContact O-N 2.97Å; N147-G149 PolarHBondContact O-N 3.5Å |
| 148 | A | 34.4 | Very low | 42.8 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 3.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 149 | G | 32.4 | Very low | 40.1 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -102.7 | 51.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N147 | N147-G149 PolarHBondContact O-N 3.5Š|
| 150 | R | 30.7 | Very low | 37.8 | Very low | 240 Ų | 240 | 120.8 Ų | 120.8 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -171 | 122.4 | 156.6 | -105.8 | 155 | -175.8 | -165.6 | 0.5 | 111.4 | ||
| 151 | G | 29.2 | Very low | 35.7 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 157.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G153 | G151-G153 PolarHBondContact O-N 3.3Š| ||
| 152 | R | 26.1 | Very low | 33.7 | Very low | 265 Ų | 265 | 128.9 Ų | 128.9 | 100% | 1 | 76% | 0.762 | S | S | * | * | trans | -30.8 | 111.1 | 166.8 | -70.3 | 170.4 | 160.4 | 176.8 | -6.9 | 112.7 | ||||
| 153 | G | 27 | Very low | 32.1 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -174.6 | 114.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G151 | G151-G153 PolarHBondContact O-N 3.3Š| ||
| 154 | A | 27.6 | Very low | 31 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 65.1 | 102 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 155 | K | 26.4 | Very low | 30.4 | Very low | 211 Ų | 211 | 129.1 Ų | 129.1 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | S | Bend | 30.5 | 117.8 | 125.6 | -65.7 | -178.5 | 176.3 | 177 | 0 | 118.3 | |||
| 156 | G | 25.1 | Very low | 30.1 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | 76.1 | 40.8 | 131.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 157 | G | 24.7 | Very low | 30.5 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -100.2 | 119.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R159 | G157-R159 PolarHBondContact O-N 3.44Š| ||
| 158 | R | 24.7 | Very low | 31.5 | Very low | 246 Ų | 246 | 135.8 Ų | 135.8 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | trans | -35.8 | 126.4 | 174.3 | -66.7 | 171.4 | 176.9 | -178.6 | -2.8 | 112.3 | G160 | R158-G160 VanDerWaalsContact C-N 3.26Å; R158-G160 PolarHBondContact O-N 3.26Å | ||
| 159 | R | 26.9 | Very low | 33.2 | Very low | 259 Ų | 259 | 132.5 Ų | 132.5 | 98% | 0.977 | 74% | 0.743 | S | S | * | * | trans | -61.7 | 88.5 | 168.4 | -77.2 | -178.5 | 170.4 | -178.7 | -3.8 | 108.8 | G157 D161 | G157-R159 PolarHBondContact O-N 3.44Å; R159-D161 PolarHBondContact O-N 2.67Å | ||
| 160 | G | 25.4 | Very low | 35.3 | Very low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | trans | -78.7 | 107.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R158 R162 | R158-G160 VanDerWaalsContact C-N 3.26Å; R158-G160 PolarHBondContact O-N 3.26Å; G160-R162 VanDerWaalsContact C-N 3.29Å; G160-R162 PolarHBondContact O-N 3.26Å | ||
| 161 | D | 27.3 | Very low | 37.8 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | 27.2 | 52.6 | 135.7 | -146.4 | 22.8 | 0 | 0 | 0 | 117.9 | R159 | R159-D161 PolarHBondContact O-N 2.67Š| ||
| 162 | R | 25.8 | Very low | 40.6 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | trans | -88.4 | 125.2 | 161.7 | -74.9 | -173.4 | 177.6 | 178 | 0.1 | 107.2 | G160 | G160-R162 VanDerWaalsContact C-N 3.29Å; G160-R162 PolarHBondContact O-N 3.26Å | ||
| 163 | G | 27.7 | Very low | 43.8 | Very low | 55 Ų | 55 | 113.4 Ų | 113.4 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | trans | -58.1 | 160.1 | -156.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S165 | G163-S165 PolarHBondContact O-N 3.47Š| ||
| 164 | P | 31.9 | Very low | 46.9 | Very low | 107 Ų | 107 | 113.7 Ų | 113.7 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | trans | -60.6 | 108.9 | 179.2 | 26.7 | -31.7 | 0 | 0 | 0 | 107.8 | D166 | P164-D166 PolarHBondContact O-N 2.97Š| ||
| 165 | S | 38.6 | Very low | 50.1 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | trans | -55.5 | 125.2 | 160.2 | 46.2 | 0 | 0 | 0 | 0 | 107.1 | G163 L167 | G163-S165 PolarHBondContact O-N 3.47Å; S165-L167 PolarHBondContact O-N 3.08Å | ||
| 166 | D | 41.3 | Very low | 53.3 | Low | 159 Ų | 159 | 102.4 Ų | 102.4 | 85% | 0.85 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -54.9 | 21.8 | -160.9 | -78.1 | -46.2 | 0 | 0 | 0 | 119.3 | P164 | P164-D166 PolarHBondContact O-N 2.97Š|
| 167 | L | 50.5 | Low | 56.7 | Low | 45 Ų | 45 | 98.2 Ų | 98.2 | 24% | 0.236 | 53% | 0.527 | C | S | . | . | trans | -133.7 | 68.4 | 172.1 | -123.2 | 95.1 | 0 | 0 | 0 | 111 | S71 E135 S165 L169 | S71-L167 WeakPolarHBondContact OG-CD1 3.38Å; E135-L167 HydrophobicContact CG-CD2 4.04Å; S165-L167 PolarHBondContact O-N 3.08Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L167-L169 HydrophobicContact CD2-CG 4.4Å; L167-L169 PolarHBondContact O-N 2.93Å | ||
| 168 | Q | 58 | Low | 60.2 | Low | 169 Ų | 169 | 98 Ų | 98 | 79% | 0.79 | 51% | 0.507 | S | S | * | . | trans | -79.8 | 95 | 151.6 | -166 | 154.7 | 5 | 0 | 0 | 106.1 | C170 | Q168-C170 PolarHBondContact O-N 3.42Š| ||
| 169 | L | 69.3 | Low | 63.6 | Low | 21 Ų | 21 | 90.8 Ų | 90.8 | 11% | 0.11 | 48% | 0.482 | C | S | . | . | trans | -50.2 | 131.1 | 165.2 | -70.6 | 172.4 | 0 | 0 | 0 | 107.1 | E75 F132 L136 L167 M171 W173 | E75-L169 HydrophobicContact CG-CD2 4.16Å; E75-L169 WeakPolarHBondContact OE1-CA 3.24Å; E75-L169 WeakPolarHBondContact OE1-CD2 3.3Å; F132-L169 HydrophobicContact CD1-CD1 4.28Å; F132-L169 HydrophobicContact CD1-CD2 4.28Å; F132-L169 HydrophobicContact CE1-CD2 3.84Å; L136-L169 HydrophobicContact CD1-CD1 4.14Å; L136-L169 HydrophobicContact CD2-CD1 3.87Å; L136-L169 HydrophobicContact CG-CD1 4.33Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L167-L169 HydrophobicContact CD2-CG 4.4Å; L167-L169 PolarHBondContact O-N 2.93Å; L169-M171 HydrophobicContact CB-CG 4.14Å; L169-M171 PolarHBondContact O-N 3.48Å; L169-W173 HydrophobicContact CD1-CB 4.23Å | ||
| 170 | C | 77.5 | Confident | 67 | Low | 120 Ų | 120 | 78.4 Ų | 78.4 | 81% | 0.811 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -68.1 | -19.1 | 174.3 | -71.5 | 0 | 0 | 0 | 0 | 111 | E75 Q168 | E75-C170 PolarHBondContact OE1-N 2.89Å; E75-C170 WeakPolarHBondContact OE2-CB 3.43Å; Q168-C170 PolarHBondContact O-N 3.42Å |
| 171 | M | 83.1 | Confident | 70.5 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -94.6 | 147.7 | 176.6 | 62.5 | -179.5 | 58.4 | 0 | 0 | 113.1 | E75 W78 H79 L169 W173 E176 | E75-M171 HydrophobicContact CB-CE 3.5Å; E75-M171 HydrophobicContact CG-CE 3.49Å; E75-M171 VanDerWaalsContact CG-CE 3.49Å; E75-M171 HydrophobicContact CG-CG 4.46Å; E75-M171 HydrophobicContact CG-SD 4.28Å; W78-M171 HydrophobicContact CB-CE 4.39Å; W78-M171 HydrophobicContact CG-CE 4.23Å; W78-M171 HydrophobicContact CG-SD 4.28Å; H79-M171 WeakPolarHBondContact NE2-CE 3.2Å; L169-M171 HydrophobicContact CB-CG 4.14Å; L169-M171 PolarHBondContact O-N 3.48Å; M171-W173 PolarHBondContact O-N 3.45Å; M171-W173 HydrophobicContact SD-CE3 4.49Å; M171-E176 HydrophobicContact CB-CG 4.15Å; M171-E176 HydrophobicContact CG-CG 4.46Å; M171-E176 HydrophobicContact SD-CG 4.11Å |
| 172 | D | 88.3 | Confident | 73.9 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | trans | -77.1 | 100.7 | 166.6 | -174.6 | -18.6 | 0 | 0 | 0 | 109.4 | F174 V175 E176 | D172-F174 VanDerWaalsContact C-N 3.26Å; D172-F174 PolarHBondContact O-N 3.39Å; D172-F174 PolarHBondContact OD1-N 3.42Å; D172-F174 VanDerWaalsContact OD1-N 3.09Å; D172-V175 HydrophobicContact CB-CB 4.24Å; D172-V175 HydrophobicContact CB-CG2 4.18Å; D172-V175 PolarHBondContact O-N 3.37Å; D172-E176 WeakPolarHBondContact O-CG 3.39Å; D172-E176 PolarHBondContact O-N 3.06Å | ||
| 173 | W | 92.8 | Very high | 77.3 | Confident | 13 Ų | 13 | 59 Ų | 59 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -35.2 | -176.5 | 179.1 | -112 | 0 | 0 | 0 | 113.3 | W78 V129 F132 E133 L136 L169 M171 V175 E176 C177 | W78-W173 HydrophobicContact CD2-CZ3 4.34Å; W78-W173 HydrophobicContact CE3-CZ3 4.48Å; W78-W173 AromaticContact CH2-CH2 3.98Å; W78-W173 HydrophobicContact CH2-CH2 3.98Å; W78-W173 HydrophobicContact CH2-CZ3 4.1Å; W78-W173 HydrophobicContact CZ2-CH2 4.31Å; W78-W173 HydrophobicContact CZ2-CZ3 4Å; W78-W173 HydrophobicContact CZ3-CH2 4.21Å; W78-W173 HydrophobicContact CZ3-CZ3 4.36Å; V129-W173 HydrophobicContact CG1-CZ2 4.31Å; V129-W173 HydrophobicContact CG2-CH2 4.36Å; F132-W173 HydrophobicContact CB-CD2 4.23Å; F132-W173 HydrophobicContact CB-CE3 4.06Å; F132-W173 HydrophobicContact CB-CH2 3.43Å; F132-W173 VanDerWaalsContact CB-CH2 3.43Å; F132-W173 HydrophobicContact CB-CZ2 3.57Å; F132-W173 HydrophobicContact CB-CZ3 3.67Å; F132-W173 HydrophobicContact CD1-CE3 4.45Å; F132-W173 HydrophobicContact CD1-CZ3 4.37Å; F132-W173 HydrophobicContact CD2-CE3 4.41Å; 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 4.3Å; F132-W173 HydrophobicContact CG-CE3 4.08Å; F132-W173 AromaticContact CG-CH2 3.85Å; F132-W173 HydrophobicContact CG-CH2 3.85Å; F132-W173 HydrophobicContact CG-CZ2 4.44Å; F132-W173 AromaticContact CG-CZ3 3.63Å; F132-W173 HydrophobicContact CG-CZ3 3.63Å; E133-W173 VanDerWaalsContact CD-NE1 3.35Å; E133-W173 HydrophobicContact CG-CZ2 4.12Å; E133-W173 PolarHBondContact OE1-NE1 2.96Å; L136-W173 HydrophobicContact CD1-CB 3.98Å; L136-W173 HydrophobicContact CD1-CD2 4.09Å; L136-W173 HydrophobicContact CD1-CG 3.47Å; L136-W173 VanDerWaalsContact CD1-CG 3.47Å; L169-W173 HydrophobicContact CD1-CB 4.23Å; M171-W173 PolarHBondContact O-N 3.45Å; M171-W173 HydrophobicContact SD-CE3 4.49Å; W173-V175 VanDerWaalsContact C-N 3.33Å; W173-V175 PolarHBondContact O-N 3.41Å; W173-E176 HydrophobicContact CE3-CB 4.4Å; W173-E176 PolarHBondContact O-N 3.07Å; W173-C177 HydrophobicContact CZ2-CB 4.18Å; W173-C177 WeakPolarHBondContact O-CB 3.46Å; W173-C177 PolarHBondContact O-N 2.97Å |
| 174 | F | 91.9 | Very high | 80.7 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | -179.8 | -72.5 | -87.3 | 0 | 0 | 0 | 111.5 | D172 E178 I222 N225 I228 | D172-F174 VanDerWaalsContact C-N 3.26Å; D172-F174 PolarHBondContact O-N 3.39Å; D172-F174 PolarHBondContact OD1-N 3.42Å; D172-F174 VanDerWaalsContact OD1-N 3.09Å; F174-E178 WeakPolarHBondContact O-CB 3.41Å; F174-E178 PolarHBondContact O-N 3.28Å; F174-I222 HydrophobicContact CD1-CD1 4.02Å; F174-I222 HydrophobicContact CE1-CD1 3.71Å; F174-I222 HydrophobicContact CZ-CD1 4.36Å; F174-N225 HydrophobicContact CD1-CB 3.98Å; F174-N225 VanDerWaalsContact CD1-ND2 3.25Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.46Å; F174-N225 HydrophobicContact CE1-CB 4.21Å; F174-I228 HydrophobicContact CB-CD1 4.13Å; F174-I228 HydrophobicContact CD1-CD1 3.6Å; F174-I228 HydrophobicContact CG-CD1 4.31Å |
| 175 | V | 94.2 | Very high | 83.8 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 111 | D172 W173 E178 K179 | D172-V175 HydrophobicContact CB-CB 4.24Å; D172-V175 HydrophobicContact CB-CG2 4.18Å; D172-V175 PolarHBondContact O-N 3.37Å; W173-V175 VanDerWaalsContact C-N 3.33Å; W173-V175 PolarHBondContact O-N 3.41Å; V175-E178 PolarHBondContact O-N 2.83Å; V175-K179 WeakPolarHBondContact O-CG 3.42Å; V175-K179 PolarHBondContact O-N 3.48Å; V175-K179 VanDerWaalsContact O-N 3.07Å |
| 176 | E | 95.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 178.4 | -66.5 | -59 | 120.2 | 0 | 0 | 112 | W78 L82 M171 D172 W173 K179 A180 | W78-E176 HydrophobicContact CZ2-CB 4.03Å; W78-E176 PolarHBondContact NE1-OE2 2.92Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.39Å; M171-E176 HydrophobicContact CB-CG 4.15Å; M171-E176 HydrophobicContact CG-CG 4.46Å; M171-E176 HydrophobicContact SD-CG 4.11Å; D172-E176 WeakPolarHBondContact O-CG 3.39Å; D172-E176 PolarHBondContact O-N 3.06Å; W173-E176 HydrophobicContact CE3-CB 4.4Å; W173-E176 PolarHBondContact O-N 3.07Å; E176-K179 PolarHBondContact O-N 3.37Å; E176-K179 IonicContact OE1-NZ 3.3Å; E176-K179 PolarHBondContact OE1-NZ 2.91Å; E176-A180 WeakPolarHBondContact O-CB 3.48Å; E176-A180 PolarHBondContact O-N 3.26Å |
| 177 | C | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | W173 K179 A180 V181 I228 | W173-C177 HydrophobicContact CZ2-CB 4.18Å; W173-C177 WeakPolarHBondContact O-CB 3.46Å; W173-C177 PolarHBondContact O-N 2.97Å; C177-K179 VanDerWaalsContact C-N 3.33Å; C177-K179 PolarHBondContact O-N 3.14Å; C177-A180 PolarHBondContact O-N 2.94Å; C177-V181 WeakPolarHBondContact O-CG2 3.34Å; C177-V181 PolarHBondContact O-N 2.79Å; C177-I228 HydrophobicContact CB-CD1 4.09Å |
| 178 | E | 97 | Very high | 91.5 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.8 | -48.1 | 173.6 | -177.1 | -167.4 | 159.1 | 0 | 0 | 111.1 | F174 V175 A180 V181 G182 N227 I228 | F174-E178 WeakPolarHBondContact O-CB 3.41Å; F174-E178 PolarHBondContact O-N 3.28Å; V175-E178 PolarHBondContact O-N 2.83Å; E178-A180 VanDerWaalsContact C-N 3.34Å; E178-A180 PolarHBondContact O-N 3.26Å; E178-V181 PolarHBondContact O-N 3.46Å; E178-G182 PolarHBondContact O-N 2.89Å; E178-N227 HydrophobicContact CG-CB 4.13Å; E178-N227 WeakPolarHBondContact OE2-CB 3.18Å; E178-N227 PolarHBondContact OE2-ND2 3.36Å; E178-N227 VanDerWaalsContact OE2-ND2 3.14Å; E178-I228 HydrophobicContact CB-CG1 4.21Å |
| 179 | K | 97.6 | Very high | 93.3 | Very high | 93 Ų | 93 | 40 Ų | 40 | 40% | 0.404 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -42.6 | 177.6 | -70.8 | 171 | -170.6 | 165.8 | 0 | 111.9 | L82 V175 E176 C177 G182 A183 | L82-K179 HydrophobicContact CD2-CB 4.16Å; L82-K179 HydrophobicContact CD2-CD 4.45Å; V175-K179 WeakPolarHBondContact O-CG 3.42Å; V175-K179 PolarHBondContact O-N 3.48Å; V175-K179 VanDerWaalsContact O-N 3.07Å; E176-K179 PolarHBondContact O-N 3.37Å; E176-K179 IonicContact OE1-NZ 3.3Å; E176-K179 PolarHBondContact OE1-NZ 2.91Å; C177-K179 VanDerWaalsContact C-N 3.33Å; C177-K179 PolarHBondContact O-N 3.14Å; K179-G182 PolarHBondContact O-N 2.97Å; K179-A183 WeakPolarHBondContact O-CB 3.46Å; K179-A183 PolarHBondContact O-N 3.23Å |
| 180 | A | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W78 L82 L125 V129 E176 C177 E178 G182 A183 L184 | W78-A180 HydrophobicContact CH2-CB 3.52Å; W78-A180 HydrophobicContact CZ2-CB 3.93Å; L82-A180 HydrophobicContact CD1-CB 4.16Å; L125-A180 HydrophobicContact CD1-CB 4.03Å; L125-A180 HydrophobicContact CD2-CB 4.45Å; L125-A180 HydrophobicContact CG-CB 4.43Å; V129-A180 HydrophobicContact CG2-CB 4.04Å; E176-A180 WeakPolarHBondContact O-CB 3.48Å; E176-A180 PolarHBondContact O-N 3.26Å; C177-A180 PolarHBondContact O-N 2.94Å; E178-A180 VanDerWaalsContact C-N 3.34Å; E178-A180 PolarHBondContact O-N 3.26Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.73Å; A180-A183 PolarHBondContact O-N 3.31Å; A180-L184 WeakPolarHBondContact O-CG 3.12Å; A180-L184 PolarHBondContact O-N 3.3Å |
| 181 | V | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | C177 E178 A183 L184 D185 L216 A231 V232 L235 | C177-V181 WeakPolarHBondContact O-CG2 3.34Å; C177-V181 PolarHBondContact O-N 2.79Å; E178-V181 PolarHBondContact O-N 3.46Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.97Å; V181-L184 WeakPolarHBondContact O-CB 3.32Å; V181-L184 PolarHBondContact O-N 3.23Å; V181-D185 PolarHBondContact O-N 3.45Å; V181-L216 HydrophobicContact CG2-CD1 3.61Å; V181-A231 HydrophobicContact CB-CB 4.04Å; V181-A231 VanDerWaalsContact CG1-C 3.49Å; V181-A231 HydrophobicContact CG1-CB 3.69Å; V181-V232 HydrophobicContact CG1-CG2 4.05Å; V181-V232 HydrophobicContact CG2-CG2 4.43Å; V181-L235 HydrophobicContact CG1-CB 4.29Å; V181-L235 HydrophobicContact CG1-CD2 4Å |
| 182 | G | 98 | Very high | 95.5 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | E178 K179 A180 D185 Q186 | E178-G182 PolarHBondContact O-N 2.89Å; K179-G182 PolarHBondContact O-N 2.97Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.73Å; G182-D185 PolarHBondContact O-N 2.95Å; G182-Q186 VanDerWaalsContact O-CG 3.28Å; G182-Q186 WeakPolarHBondContact O-CG 3.44Å; G182-Q186 PolarHBondContact O-N 3.45Å |
| 183 | A | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y85 K179 A180 V181 Q186 I187 | Y85-A183 HydrophobicContact CD1-CB 3.79Å; Y85-A183 HydrophobicContact CE1-CB 4.32Å; K179-A183 WeakPolarHBondContact O-CB 3.46Å; K179-A183 PolarHBondContact O-N 3.23Å; A180-A183 PolarHBondContact O-N 3.31Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.97Å; A183-Q186 PolarHBondContact O-N 3.09Å; A183-I187 PolarHBondContact O-N 3.41Å |
| 184 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.5 | -71.2 | 167.6 | 0 | 0 | 0 | 111.5 | Y85 T122 L125 A180 V181 I187 C188 P209 L235 | Y85-L184 HydrophobicContact CE1-CD2 4.15Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.13Å; T122-L184 HydrophobicContact CG2-CD2 4.11Å; L125-L184 HydrophobicContact CD2-CD1 4.46Å; L125-L184 HydrophobicContact CD2-CD2 3.98Å; L125-L184 HydrophobicContact CD2-CG 3.86Å; A180-L184 WeakPolarHBondContact O-CG 3.12Å; A180-L184 PolarHBondContact O-N 3.3Å; V181-L184 WeakPolarHBondContact O-CB 3.32Å; V181-L184 PolarHBondContact O-N 3.23Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.42Å; L184-I187 PolarHBondContact O-N 3.48Å; L184-C188 WeakPolarHBondContact O-CB 3.28Å; L184-C188 PolarHBondContact O-N 3.32Å; L184-C188 VanDerWaalsContact O-N 3.09Å; L184-C188 PolarHBondContact O-SG 2.96Å; L184-P209 HydrophobicContact CD2-CB 4.25Å; L184-L235 HydrophobicContact CB-CD1 4.41Å; L184-L235 HydrophobicContact CB-CD2 3.65Å; L184-L235 HydrophobicContact CD1-CD2 4.25Å |
| 185 | D | 98.2 | Very high | 95 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.9 | -179.6 | 40.1 | 0 | 0 | 0 | 111.6 | V181 G182 I187 C188 R189 L235 T238 | V181-D185 PolarHBondContact O-N 3.45Å; G182-D185 PolarHBondContact O-N 2.95Å; D185-I187 PolarHBondContact O-N 2.99Å; D185-C188 PolarHBondContact O-N 3.05Å; D185-R189 VanDerWaalsContact CG-NE 3.29Å; D185-R189 VanDerWaalsContact O-CG 3.29Å; D185-R189 WeakPolarHBondContact O-CG 3.15Å; D185-R189 PolarHBondContact O-N 2.83Å; D185-R189 IonicContact OD1-CZ 2.94Å; D185-R189 IonicContact OD1-NE 3.68Å; D185-R189 PolarHBondContact OD1-NE 2.96Å; D185-R189 IonicContact OD1-NH2 2.97Å; D185-R189 PolarHBondContact OD1-NH2 3.38Å; D185-R189 IonicContact OD2-CZ 3.95Å; D185-R189 IonicContact OD2-NE 3.05Å; D185-R189 PolarHBondContact OD2-NE 3.49Å; D185-R189 VanDerWaalsContact OD2-NE 3.07Å; D185-R189 IonicContact OD2-NH1 3.39Å; D185-R189 IonicContact OD2-NH2 2.73Å; D185-R189 PolarHBondContact OD2-NH2 3.19Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.22Å; D185-T238 WeakPolarHBondContact OD1-CB 3.25Å; D185-T238 PolarHBondContact OD1-OG1 2.97Å |
| 186 | Q | 97.9 | Very high | 94.9 | Very high | 108 Ų | 108 | 33 Ų | 33 | 51% | 0.505 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 178 | -71.9 | 172.5 | 16 | 0 | 0 | 112.7 | 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 3.44Å; G182-Q186 PolarHBondContact O-N 3.45Å; A183-Q186 PolarHBondContact O-N 3.09Å; Q186-R189 PolarHBondContact O-N 2.96Å |
| 187 | I | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.4 | -152.1 | 72.8 | 0 | 0 | 0 | 110.9 | Y85 V89 L92 L118 A183 L184 D185 R189 L190 L192 | Y85-I187 HydrophobicContact CE1-CB 4.02Å; Y85-I187 HydrophobicContact CE1-CG2 3.99Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.31Å; V89-I187 VanDerWaalsContact CA-CD1 3.48Å; V89-I187 HydrophobicContact CB-CD1 4.11Å; V89-I187 HydrophobicContact CG2-CB 3.96Å; V89-I187 HydrophobicContact CG2-CD1 3.64Å; V89-I187 HydrophobicContact CG2-CG1 4.36Å; L92-I187 HydrophobicContact CD2-CD1 4.26Å; L118-I187 HydrophobicContact CD1-CD1 4.16Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; A183-I187 PolarHBondContact O-N 3.41Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.42Å; L184-I187 PolarHBondContact O-N 3.48Å; D185-I187 PolarHBondContact O-N 2.99Å; I187-R189 PolarHBondContact O-N 2.61Å; I187-L190 HydrophobicContact CD1-CD1 3.74Å; I187-L190 HydrophobicContact CG1-CD1 4.43Å; I187-L190 WeakPolarHBondContact O-CB 3.4Å; I187-L190 WeakPolarHBondContact O-CG 3.49Å; I187-L190 PolarHBondContact O-N 3.39Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.26Å |
| 188 | C | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -20.7 | -175.2 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L184 D185 L190 L235 T238 L239 Y243 | L184-C188 WeakPolarHBondContact O-CB 3.28Å; L184-C188 PolarHBondContact O-N 3.32Å; L184-C188 VanDerWaalsContact O-N 3.09Å; L184-C188 PolarHBondContact O-SG 2.96Å; D185-C188 PolarHBondContact O-N 3.05Å; C188-L190 VanDerWaalsContact C-N 3.32Å; C188-L235 HydrophobicContact CB-CD1 4.4Å; C188-T238 HydrophobicContact CB-CG2 3.73Å; C188-L239 HydrophobicContact CB-CD2 4.4Å; C188-Y243 HydrophobicContact CB-CE2 4.1Å; C188-Y243 VanDerWaalsContact O-CE2 3.27Å; C188-Y243 WeakPolarHBondContact O-CE2 3.27Å; C188-Y243 PolarHBondContact O-OH 3.35Å |
| 189 | R | 95.7 | Very high | 93.3 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 44% | 0.438 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.8 | 171.7 | -69.4 | 174 | -172.7 | -157.7 | -2.2 | 114.3 | D185 Q186 I187 T238 R242 | D185-R189 VanDerWaalsContact CG-NE 3.29Å; D185-R189 VanDerWaalsContact O-CG 3.29Å; D185-R189 WeakPolarHBondContact O-CG 3.15Å; D185-R189 PolarHBondContact O-N 2.83Å; D185-R189 IonicContact OD1-CZ 2.94Å; D185-R189 IonicContact OD1-NE 3.68Å; D185-R189 PolarHBondContact OD1-NE 2.96Å; D185-R189 IonicContact OD1-NH2 2.97Å; D185-R189 PolarHBondContact OD1-NH2 3.38Å; D185-R189 IonicContact OD2-CZ 3.95Å; D185-R189 IonicContact OD2-NE 3.05Å; D185-R189 PolarHBondContact OD2-NE 3.49Å; D185-R189 VanDerWaalsContact OD2-NE 3.07Å; D185-R189 IonicContact OD2-NH1 3.39Å; D185-R189 IonicContact OD2-NH2 2.73Å; D185-R189 PolarHBondContact OD2-NH2 3.19Å; Q186-R189 PolarHBondContact O-N 2.96Å; I187-R189 PolarHBondContact O-N 2.61Å; R189-T238 HydrophobicContact CG-CG2 3.75Å; R189-T238 PolarHBondContact NE-OG1 3.39Å; R189-R242 PolarHBondContact O-NH1 3.21Å |
| 190 | L | 94.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.3 | 162.2 | 169.8 | -55.5 | -178.6 | 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 3.74Å; I187-L190 HydrophobicContact CG1-CD1 4.43Å; I187-L190 WeakPolarHBondContact O-CB 3.4Å; I187-L190 WeakPolarHBondContact O-CG 3.49Å; I187-L190 PolarHBondContact O-N 3.39Å; 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 3.27Å; L190-R242 PolarHBondContact O-NH2 3.43Å |
| 191 | K | 89.9 | Confident | 92.4 | Very high | 90 Ų | 90 | 44 Ų | 44 | 39% | 0.391 | 24% | 0.236 | S | C | . | . | trans | -78 | 65.9 | 173.5 | -69 | -164.8 | -172.6 | 163.3 | 0 | 111 | Q100 D193 Q194 | Q100-K191 HydrophobicContact CG-CD 4.3Å; Q100-K191 VanDerWaalsContact OE1-CE 3.28Å; K191-D193 VanDerWaalsContact CA-OD1 3.31Å; K191-D193 WeakPolarHBondContact CA-OD1 3.39Å; K191-D193 WeakPolarHBondContact CB-OD1 3.44Å; K191-D193 PolarHBondContact O-N 3.33Å; K191-Q194 HydrophobicContact CB-CG 4.48Å; K191-Q194 PolarHBondContact O-N 3.21Å | ||
| 192 | L | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.4 | -27 | -174.9 | -64.4 | -172 | 0 | 0 | 0 | 112.2 | L92 L96 L118 I187 L190 Q194 L195 W196 F205 Y243 | L92-L192 HydrophobicContact CD2-CD2 4.13Å; L96-L192 HydrophobicContact CD1-CD2 3.98Å; L118-L192 HydrophobicContact CD2-CD1 4.16Å; L118-L192 HydrophobicContact CD2-CD2 3.89Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.26Å; L190-L192 HydrophobicContact CB-CD2 3.85Å; L190-L192 HydrophobicContact CB-CG 4.23Å; L190-L192 PolarHBondContact O-N 3.27Å; L192-Q194 PolarHBondContact O-N 2.71Å; L192-L195 HydrophobicContact CD2-CD1 4.49Å; L192-L195 WeakPolarHBondContact O-CB 3.3Å; L192-L195 PolarHBondContact O-N 3.29Å; L192-W196 HydrophobicContact CB-CZ3 3.9Å; L192-W196 WeakPolarHBondContact O-CZ3 3.46Å; L192-F205 HydrophobicContact CD1-CE1 3.81Å; L192-F205 HydrophobicContact CD1-CZ 4.07Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.42Å |
| 193 | D | 85.3 | Confident | 91.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -48.9 | -30.4 | 176.1 | 55.5 | -64.7 | 0 | 0 | 0 | 113.9 | K191 L195 W196 P199 | K191-D193 VanDerWaalsContact CA-OD1 3.31Å; K191-D193 WeakPolarHBondContact CA-OD1 3.39Å; K191-D193 WeakPolarHBondContact CB-OD1 3.44Å; K191-D193 PolarHBondContact O-N 3.33Å; D193-L195 PolarHBondContact O-N 3.13Å; D193-L195 VanDerWaalsContact O-N 3.12Å; D193-W196 PolarHBondContact O-N 3.44Å; D193-W196 VanDerWaalsContact O-N 3.13Å; D193-P199 HydrophobicContact CB-CB 4.27Å; D193-P199 WeakPolarHBondContact CB-O 3.45Å; D193-P199 VanDerWaalsContact O-CA 3.28Å; D193-P199 WeakPolarHBondContact O-CA 3.5Å; D193-P199 WeakPolarHBondContact O-CB 3.33Å |
| 194 | Q | 87.4 | Confident | 91.3 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -65.9 | -11 | 176.3 | -60.2 | -170 | -0.6 | 0 | 0 | 114.6 | L96 T99 M111 K191 L192 | L96-Q194 HydrophobicContact CD2-CB 4.01Å; T99-Q194 PolarHBondContact OG1-OE1 3.07Å; M111-Q194 WeakPolarHBondContact CE-O 3.24Å; K191-Q194 HydrophobicContact CB-CG 4.48Å; K191-Q194 PolarHBondContact O-N 3.21Å; L192-Q194 PolarHBondContact O-N 2.71Å |
| 195 | L | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -92.7 | -8.6 | 177 | -58.2 | 177 | 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 4.07Å; L96-L195 HydrophobicContact CD2-CD2 4.18Å; 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 4.23Å; R115-L195 WeakPolarHBondContact CD-O 3.47Å; R115-L195 PolarHBondContact NH1-O 3.3Å; L118-L195 HydrophobicContact CD2-CD1 3.81Å; L192-L195 HydrophobicContact CD2-CD1 4.49Å; L192-L195 WeakPolarHBondContact O-CB 3.3Å; L192-L195 PolarHBondContact O-N 3.29Å; D193-L195 PolarHBondContact O-N 3.13Å; D193-L195 VanDerWaalsContact O-N 3.12Å |
| 196 | W | 90.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 56 Ų | 56 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -109.7 | 150.8 | 177.3 | -73.7 | -101.6 | 0 | 0 | 0 | 111 | R115 L118 L192 D193 P198 P199 V200 A201 E202 F205 | R115-W196 HydrophobicContact CG-CZ2 4.28Å; L118-W196 HydrophobicContact CD2-CH2 4.02Å; L118-W196 HydrophobicContact CD2-CZ3 4.4Å; L192-W196 HydrophobicContact CB-CZ3 3.9Å; L192-W196 WeakPolarHBondContact O-CZ3 3.46Å; D193-W196 PolarHBondContact O-N 3.44Å; D193-W196 VanDerWaalsContact O-N 3.13Å; W196-P198 CarbonylContact C-O 3.55Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.25Å; W196-P198 CarbonylContact O-C 3.56Å; W196-P199 WeakPolarHBondContact O-CA 3.37Å; W196-V200 WeakPolarHBondContact CB-O 3.36Å; W196-A201 HydrophobicContact CD2-CB 4.21Å; W196-A201 HydrophobicContact CE3-CB 4.14Å; W196-A201 HydrophobicContact CH2-CB 4.11Å; W196-A201 HydrophobicContact CZ2-CB 4.14Å; W196-A201 HydrophobicContact CZ3-CB 4.12Å; W196-E202 HydrophobicContact CZ2-CG 4.48Å; W196-E202 PolarHBondContact NE1-OE2 2.88Å; W196-F205 AromaticContact CH2-CD1 3.85Å; W196-F205 HydrophobicContact CH2-CD1 3.85Å; W196-F205 HydrophobicContact CH2-CE1 4.04Å; W196-F205 HydrophobicContact CH2-CG 4.22Å; W196-F205 HydrophobicContact CZ2-CB 4.25Å; W196-F205 HydrophobicContact CZ2-CD1 4.04Å; W196-F205 HydrophobicContact CZ2-CG 4.06Å |
| 197 | D | 83.7 | Confident | 91 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -137 | 105.8 | 173.4 | -178.6 | 19.8 | 0 | 0 | 0 | 108 | ||
| 198 | P | 85.5 | Confident | 90.9 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | S | Bend | cis | -63.8 | 160.6 | 2.1 | 29.4 | -36.2 | 0 | 0 | 0 | 113 | W196 V200 | W196-P198 CarbonylContact C-O 3.55Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.25Å; W196-P198 CarbonylContact O-C 3.56Å; P198-V200 PolarHBondContact O-N 3.09Å |
| 199 | P | 86.1 | Confident | 91 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76 | 60.7 | -172 | 33.4 | -38.1 | 0 | 0 | 0 | 112.7 | D193 W196 | D193-P199 HydrophobicContact CB-CB 4.27Å; D193-P199 WeakPolarHBondContact CB-O 3.45Å; D193-P199 VanDerWaalsContact O-CA 3.28Å; D193-P199 WeakPolarHBondContact O-CA 3.5Å; D193-P199 WeakPolarHBondContact O-CB 3.33Å; W196-P199 WeakPolarHBondContact O-CA 3.37Å |
| 200 | V | 87.9 | Confident | 91.1 | Very high | 104 Ų | 104 | 48 Ų | 48 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | trans | -132.4 | 119.2 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 106.4 | W196 P198 E202 | W196-V200 WeakPolarHBondContact CB-O 3.36Å; P198-V200 PolarHBondContact O-N 3.09Å; V200-E202 PolarHBondContact O-N 3.09Å | ||
| 201 | A | 87.9 | Confident | 91.2 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | trans | -63 | 135.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | W196 I206 Y243 | W196-A201 HydrophobicContact CD2-CB 4.21Å; W196-A201 HydrophobicContact CE3-CB 4.14Å; W196-A201 HydrophobicContact CH2-CB 4.11Å; W196-A201 HydrophobicContact CZ2-CB 4.14Å; W196-A201 HydrophobicContact CZ3-CB 4.12Å; A201-I206 HydrophobicContact CB-CD1 4.05Å; A201-I206 HydrophobicContact CB-CG1 4.44Å; A201-Y243 HydrophobicContact CB-CD1 3.97Å; A201-Y243 HydrophobicContact CB-CE1 3.96Å | ||
| 202 | E | 90.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | trans | -63.8 | 144.6 | 178 | 68.7 | -165.4 | -155 | 0 | 0 | 111.7 | K119 W196 V200 D204 F205 I206 | K119-E202 WeakPolarHBondContact CE-OE1 3.39Å; K119-E202 WeakPolarHBondContact CE-OE2 3.49Å; K119-E202 IonicContact NZ-OE1 2.71Å; K119-E202 PolarHBondContact NZ-OE1 3.21Å; K119-E202 IonicContact NZ-OE2 3.74Å; K119-E202 PolarHBondContact NZ-OE2 3.34Å; W196-E202 HydrophobicContact CZ2-CG 4.48Å; W196-E202 PolarHBondContact NE1-OE2 2.88Å; V200-E202 PolarHBondContact O-N 3.09Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 3.48Å; E202-F205 HydrophobicContact CG-CB 3.68Å; E202-F205 WeakPolarHBondContact O-CB 3.28Å; E202-F205 PolarHBondContact O-N 3.09Å; E202-F205 VanDerWaalsContact O-N 3.12Å; E202-I206 PolarHBondContact O-N 3.27Å | ||
| 203 | E | 91.3 | Very high | 91.9 | Very high | 138 Ų | 138 | 46.6 Ų | 46.6 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | -175.8 | -163.9 | -177.3 | 162.5 | 0 | 0 | 112.3 | F205 I206 N207 | E203-F205 PolarHBondContact O-N 2.9Å; E203-I206 PolarHBondContact O-N 3.46Å; E203-N207 WeakPolarHBondContact O-CB 3.42Å; E203-N207 VanDerWaalsContact O-CG 3.26Å; E203-N207 PolarHBondContact O-N 3.22Å; E203-N207 PolarHBondContact O-ND2 2.92Å |
| 204 | D | 91.5 | Very high | 92.5 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -35.1 | 177.4 | -64.7 | -34.1 | 0 | 0 | 0 | 112.4 | I6 E202 L208 | I6-D204 HydrophobicContact CB-CB 4.32Å; I6-D204 HydrophobicContact CD1-CB 4.16Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 3.48Å; D204-L208 PolarHBondContact O-N 3.05Å |
| 205 | F | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -40.9 | 176.2 | 174.5 | -102.1 | 0 | 0 | 0 | 111.9 | I6 L118 K119 T122 L192 W196 E202 E203 N207 L208 P209 | I6-F205 HydrophobicContact CD1-CB 3.77Å; I6-F205 HydrophobicContact CD1-CD2 4.34Å; L118-F205 HydrophobicContact CD1-CE2 4.24Å; L118-F205 HydrophobicContact CD1-CZ 4.03Å; L118-F205 HydrophobicContact CD2-CE1 4.48Å; L118-F205 HydrophobicContact CD2-CE2 4.16Å; L118-F205 HydrophobicContact CD2-CZ 3.82Å; L118-F205 HydrophobicContact CG-CE2 3.79Å; L118-F205 HydrophobicContact CG-CZ 3.81Å; K119-F205 HydrophobicContact CG-CD2 4.1Å; T122-F205 HydrophobicContact CG2-CE2 3.98Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.49Å; L192-F205 HydrophobicContact CD1-CE1 3.81Å; L192-F205 HydrophobicContact CD1-CZ 4.07Å; W196-F205 AromaticContact CH2-CD1 3.85Å; W196-F205 HydrophobicContact CH2-CD1 3.85Å; W196-F205 HydrophobicContact CH2-CE1 4.04Å; W196-F205 HydrophobicContact CH2-CG 4.22Å; W196-F205 HydrophobicContact CZ2-CB 4.25Å; W196-F205 HydrophobicContact CZ2-CD1 4.04Å; W196-F205 HydrophobicContact CZ2-CG 4.06Å; E202-F205 HydrophobicContact CG-CB 3.68Å; E202-F205 WeakPolarHBondContact O-CB 3.28Å; E202-F205 PolarHBondContact O-N 3.09Å; E202-F205 VanDerWaalsContact O-N 3.12Å; E203-F205 PolarHBondContact O-N 2.9Å; F205-N207 VanDerWaalsContact C-N 3.31Å; F205-L208 PolarHBondContact O-N 3.5Å; F205-P209 WeakPolarHBondContact O-CD 3.27Å |
| 206 | I | 95.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -33.9 | 177.7 | -56.1 | -53.5 | 0 | 0 | 0 | 111.2 | A201 E202 E203 L208 P209 A210 L239 Y243 H245 | A201-I206 HydrophobicContact CB-CD1 4.05Å; A201-I206 HydrophobicContact CB-CG1 4.44Å; E202-I206 PolarHBondContact O-N 3.27Å; E203-I206 PolarHBondContact O-N 3.46Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 2.86Å; I206-P209 VanDerWaalsContact O-CD 3.25Å; I206-P209 WeakPolarHBondContact O-CD 3.29Å; I206-P209 WeakPolarHBondContact O-CG 3.28Å; I206-A210 WeakPolarHBondContact O-CB 3.33Å; I206-A210 PolarHBondContact O-N 3.28Å; I206-L239 HydrophobicContact CG2-CD2 4.17Å; I206-Y243 HydrophobicContact CD1-CD1 3.28Å; I206-Y243 HydrophobicContact CD1-CD2 4.04Å; I206-Y243 HydrophobicContact CD1-CE1 3.78Å; I206-Y243 HydrophobicContact CD1-CE2 4.47Å; I206-Y243 HydrophobicContact CD1-CG 3.42Å; I206-Y243 VanDerWaalsContact CD1-CG 3.42Å; I206-Y243 HydrophobicContact CG1-CD1 4.16Å; I206-Y243 HydrophobicContact CG1-CG 4.2Å; I206-H245 HydrophobicContact CG2-CB 4.38Å |
| 207 | N | 95.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -25.3 | 178 | -74.6 | -23.4 | 0 | 0 | 0 | 113 | E203 F205 N211 | E203-N207 WeakPolarHBondContact O-CB 3.42Å; E203-N207 VanDerWaalsContact O-CG 3.26Å; E203-N207 PolarHBondContact O-N 3.22Å; E203-N207 PolarHBondContact O-ND2 2.92Å; F205-N207 VanDerWaalsContact C-N 3.31Å; N207-N211 WeakPolarHBondContact O-CB 3.45Å; N207-N211 PolarHBondContact O-N 3.14Å; N207-N211 PolarHBondContact O-ND2 3.33Å |
| 208 | L | 96.2 | Very high | 93.9 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -62.4 | 175.7 | -71.2 | 173.8 | 0 | 0 | 0 | 112.9 | I6 T122 Y123 D204 F205 I206 A210 C212 | I6-L208 HydrophobicContact CD1-CD1 3.69Å; I6-L208 HydrophobicContact CD1-CG 4.4Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.99Å; I6-L208 HydrophobicContact CG2-CD2 4.02Å; I6-L208 HydrophobicContact CG2-CG 4.12Å; T122-L208 HydrophobicContact CG2-CB 3.95Å; T122-L208 HydrophobicContact CG2-CD1 4.04Å; Y123-L208 HydrophobicContact CD2-CD2 4.11Å; D204-L208 PolarHBondContact O-N 3.05Å; F205-L208 PolarHBondContact O-N 3.5Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 2.86Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.14Å; L208-C212 WeakPolarHBondContact O-CB 3.35Å; L208-C212 PolarHBondContact O-N 3Å; L208-C212 VanDerWaalsContact O-N 3.07Å |
| 209 | P | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | 177.2 | 25 | -32.8 | 0 | 0 | 0 | 112.3 | L184 F205 I206 C212 C213 L235 L239 | L184-P209 HydrophobicContact CD2-CB 4.25Å; F205-P209 WeakPolarHBondContact O-CD 3.27Å; I206-P209 VanDerWaalsContact O-CD 3.25Å; I206-P209 WeakPolarHBondContact O-CD 3.29Å; I206-P209 WeakPolarHBondContact O-CG 3.28Å; P209-C212 WeakPolarHBondContact O-CB 3.47Å; P209-C212 PolarHBondContact O-N 3.14Å; P209-C213 PolarHBondContact O-N 3.19Å; P209-C213 PolarHBondContact O-SG 3.34Å; P209-L235 HydrophobicContact CB-CD1 4.34Å; P209-L235 HydrophobicContact CB-CD2 4.19Å; P209-L239 HydrophobicContact CB-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD2 3.97Å |
| 210 | A | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I206 L208 C212 C213 Y214 L239 H245 | I206-A210 WeakPolarHBondContact O-CB 3.33Å; I206-A210 PolarHBondContact O-N 3.28Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.14Å; A210-C212 VanDerWaalsContact C-N 3.26Å; A210-C212 PolarHBondContact O-N 3.08Å; A210-C213 VanDerWaalsContact O-CB 3.31Å; A210-C213 WeakPolarHBondContact O-CB 3.39Å; A210-C213 PolarHBondContact O-N 3.05Å; A210-C213 VanDerWaalsContact O-N 3.08Å; A210-Y214 HydrophobicContact CB-CE2 3.87Å; A210-Y214 WeakPolarHBondContact O-CD2 3.44Å; A210-Y214 WeakPolarHBondContact O-CE2 3.1Å; A210-Y214 PolarHBondContact O-N 3.49Å; A210-L239 HydrophobicContact CB-CD1 3.95Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.49Å |
| 211 | N | 97.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -32.6 | 178 | -70.6 | -32 | 0 | 0 | 0 | 111.9 | N207 Y214 K215 | N207-N211 WeakPolarHBondContact O-CB 3.45Å; N207-N211 PolarHBondContact O-N 3.14Å; N207-N211 PolarHBondContact O-ND2 3.33Å; N211-Y214 PolarHBondContact O-N 3.41Å; N211-K215 VanDerWaalsContact O-CB 3.3Å; N211-K215 WeakPolarHBondContact O-CB 3.33Å; N211-K215 PolarHBondContact O-N 3.18Å |
| 212 | C | 97.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 170.6 | -168.1 | 0 | 0 | 0 | 0 | 111.1 | C126 L208 P209 A210 L216 | C126-C212 HydrophobicContact CB-CB 4.29Å; L208-C212 WeakPolarHBondContact O-CB 3.35Å; L208-C212 PolarHBondContact O-N 3Å; L208-C212 VanDerWaalsContact O-N 3.07Å; P209-C212 WeakPolarHBondContact O-CB 3.47Å; P209-C212 PolarHBondContact O-N 3.14Å; A210-C212 VanDerWaalsContact C-N 3.26Å; A210-C212 PolarHBondContact O-N 3.08Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.36Å; C212-L216 PolarHBondContact O-N 3.15Å; C212-L216 VanDerWaalsContact O-N 3.14Å |
| 213 | C | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 112.7 | P209 A210 K215 L216 L217 V232 L235 L236 | P209-C213 PolarHBondContact O-N 3.19Å; P209-C213 PolarHBondContact O-SG 3.34Å; A210-C213 VanDerWaalsContact O-CB 3.31Å; A210-C213 WeakPolarHBondContact O-CB 3.39Å; A210-C213 PolarHBondContact O-N 3.05Å; A210-C213 VanDerWaalsContact O-N 3.08Å; C213-K215 VanDerWaalsContact C-N 3.31Å; C213-K215 PolarHBondContact O-N 2.89Å; C213-L216 PolarHBondContact O-N 2.62Å; C213-L217 WeakPolarHBondContact O-CG 3.19Å; C213-L217 PolarHBondContact O-N 3.44Å; C213-L217 VanDerWaalsContact O-N 3.14Å; C213-V232 HydrophobicContact CB-CG1 3.86Å; C213-L235 WeakPolarHBondContact SG-CD2 3.47Å; C213-L236 HydrophobicContact CB-CD2 3.88Å; C213-L236 HydrophobicContact CB-CG 4.17Å |
| 214 | Y | 98.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | -177.1 | -59.2 | -45.8 | 0 | 0 | 0 | 111.8 | A210 N211 L217 E218 L236 H245 C249 K252 L253 L256 | A210-Y214 HydrophobicContact CB-CE2 3.87Å; A210-Y214 WeakPolarHBondContact O-CD2 3.44Å; A210-Y214 WeakPolarHBondContact O-CE2 3.1Å; A210-Y214 PolarHBondContact O-N 3.49Å; N211-Y214 PolarHBondContact O-N 3.41Å; Y214-L217 PolarHBondContact O-N 2.95Å; Y214-E218 PolarHBondContact O-N 3Å; Y214-L236 HydrophobicContact CE1-CD1 4.41Å; Y214-L236 HydrophobicContact CE1-CD2 3.81Å; Y214-H245 AromaticContact CE2-NE2 3.93Å; Y214-H245 AromaticContact CZ-NE2 3.99Å; Y214-H245 PolarHBondContact OH-CD2 2.66Å; Y214-H245 PolarHBondContact OH-NE2 3.39Å; Y214-H245 VanDerWaalsContact OH-NE2 3.13Å; Y214-C249 WeakPolarHBondContact OH-CA 3.33Å; Y214-C249 WeakPolarHBondContact OH-CB 3.08Å; Y214-K252 HydrophobicContact CD1-CB 3.87Å; Y214-K252 HydrophobicContact CD2-CB 3.83Å; Y214-K252 HydrophobicContact CD2-CD 4.13Å; Y214-K252 HydrophobicContact CD2-CG 3.77Å; Y214-K252 HydrophobicContact CE1-CB 3.76Å; Y214-K252 HydrophobicContact CE2-CB 3.73Å; Y214-K252 HydrophobicContact CE2-CG 3.68Å; Y214-K252 HydrophobicContact CG-CB 3.94Å; Y214-K252 HydrophobicContact CG-CG 4.32Å; Y214-L253 HydrophobicContact CD1-CD2 4.46Å; Y214-L253 HydrophobicContact CE1-CD2 4.26Å; Y214-L253 HydrophobicContact CE1-CG 4.4Å; Y214-L256 HydrophobicContact CD1-CD1 4.08Å |
| 215 | K | 94.7 | Very high | 95 | Very high | 59 Ų | 59 | 34.3 Ų | 34.3 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.4 | -170.1 | 167.2 | -172.4 | 158.5 | 0 | 112.6 | D130 N134 N211 C213 L217 E218 | D130-K215 HydrophobicContact CB-CD 4.37Å; D130-K215 VanDerWaalsContact OD1-CE 3.32Å; D130-K215 WeakPolarHBondContact OD1-CE 3.4Å; D130-K215 IonicContact OD1-NZ 2.65Å; D130-K215 PolarHBondContact OD1-NZ 2.92Å; D130-K215 IonicContact OD2-NZ 2.65Å; D130-K215 PolarHBondContact OD2-NZ 3.29Å; D130-K215 VanDerWaalsContact OD2-NZ 3.08Å; N134-K215 PolarHBondContact ND2-NZ 2.97Å; N134-K215 WeakPolarHBondContact OD1-CE 3.43Å; N134-K215 PolarHBondContact OD1-NZ 3.39Å; N211-K215 VanDerWaalsContact O-CB 3.3Å; N211-K215 WeakPolarHBondContact O-CB 3.33Å; N211-K215 PolarHBondContact O-N 3.18Å; C213-K215 VanDerWaalsContact C-N 3.31Å; C213-K215 PolarHBondContact O-N 2.89Å; K215-L217 PolarHBondContact O-N 3.38Å; K215-E218 WeakPolarHBondContact O-CB 3.26Å; K215-E218 PolarHBondContact O-N 3.17Å |
| 216 | L | 96.7 | Very high | 95 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -30.2 | 175.6 | -70.6 | 170.8 | 0 | 0 | 0 | 112.7 | V129 E133 V181 C212 C213 E218 I222 V232 | V129-L216 HydrophobicContact CG1-CD1 4.28Å; V129-L216 HydrophobicContact CG1-CD2 3.87Å; V129-L216 HydrophobicContact CG1-CG 4.29Å; E133-L216 HydrophobicContact CG-CD2 3.62Å; E133-L216 VanDerWaalsContact OE1-CD2 3.28Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.37Å; V181-L216 HydrophobicContact CG2-CD1 3.61Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.36Å; C212-L216 PolarHBondContact O-N 3.15Å; C212-L216 VanDerWaalsContact O-N 3.14Å; C213-L216 PolarHBondContact O-N 2.62Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-I222 HydrophobicContact CB-CG2 3.96Å; L216-I222 HydrophobicContact CD2-CG2 3.97Å; L216-I222 WeakPolarHBondContact O-CG2 3.46Å; L216-V232 HydrophobicContact CD1-CG2 4.36Å |
| 217 | L | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.5 | -18.4 | 177.8 | -68.9 | 171.8 | 0 | 0 | 0 | 113.6 | C213 Y214 K215 D219 A223 V232 L236 L253 L256 H262 M263 I270 | C213-L217 WeakPolarHBondContact O-CG 3.19Å; C213-L217 PolarHBondContact O-N 3.44Å; C213-L217 VanDerWaalsContact O-N 3.14Å; Y214-L217 PolarHBondContact O-N 2.95Å; K215-L217 PolarHBondContact O-N 3.38Å; L217-D219 VanDerWaalsContact C-N 3.28Å; L217-D219 PolarHBondContact O-N 3.26Å; L217-A223 HydrophobicContact CD2-CB 4.27Å; L217-V232 HydrophobicContact CD1-CG1 3.98Å; L217-V232 HydrophobicContact CD2-CG1 4.17Å; L217-V232 HydrophobicContact CG-CG1 4.08Å; L217-L236 HydrophobicContact CD1-CD1 4.47Å; L217-L253 HydrophobicContact CD1-CD2 4.18Å; L217-L256 HydrophobicContact CB-CD1 3.93Å; L217-L256 HydrophobicContact CD1-CD1 4.18Å; L217-H262 PolarHBondContact O-NE2 2.84Å; L217-M263 HydrophobicContact CB-CE 4.48Å; L217-M263 HydrophobicContact CB-SD 4.08Å; L217-M263 HydrophobicContact CD1-CE 4.46Å; L217-I270 HydrophobicContact CD1-CD1 4.35Å |
| 218 | E | 94.3 | Very high | 95 | Very high | 93 Ų | 93 | 38.6 Ų | 38.6 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.9 | -34 | 174.8 | -62.2 | -179.1 | -170.6 | 0 | 0 | 111.6 | Y214 K215 L216 L256 F260 H262 | Y214-E218 PolarHBondContact O-N 3Å; K215-E218 WeakPolarHBondContact O-CB 3.26Å; K215-E218 PolarHBondContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.34Å; E218-L256 HydrophobicContact CG-CD2 3.59Å; E218-F260 HydrophobicContact CB-CE2 3.92Å; E218-F260 HydrophobicContact CB-CZ 3.84Å; E218-F260 HydrophobicContact CG-CE2 3.75Å; E218-F260 HydrophobicContact CG-CZ 4.01Å; E218-H262 PolarHBondContact O-CE1 3.09Å |
| 219 | D | 91.4 | Very high | 95 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.2 | 123.3 | 177.8 | -170.4 | -26.5 | 0 | 0 | 0 | 110.9 | N137 L217 D221 I222 A223 | N137-D219 PolarHBondContact ND2-OD2 2.87Å; N137-D219 PolarHBondContact OD1-OD2 3.46Å; N137-D219 VanDerWaalsContact OD1-OD2 3.14Å; L217-D219 VanDerWaalsContact C-N 3.28Å; L217-D219 PolarHBondContact O-N 3.26Å; D219-D221 VanDerWaalsContact C-N 3.35Å; D219-D221 PolarHBondContact O-N 2.96Å; D219-D221 PolarHBondContact OD1-N 3.33Å; D219-I222 HydrophobicContact CB-CB 4.09Å; D219-I222 HydrophobicContact CB-CG1 3.99Å; D219-A223 WeakPolarHBondContact O-CB 3.25Å; D219-A223 PolarHBondContact O-N 3.42Å |
| 220 | R | 92.8 | Very high | 95 | Very high | 153 Ų | 153 | 43.9 Ų | 43.9 | 58% | 0.577 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59 | -44.2 | 177.6 | 178.6 | -170.3 | -68.7 | -166 | -1.2 | 111.8 | A223 S224 H262 | R220-A223 PolarHBondContact O-N 2.93Å; R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.07Å; R220-S224 PolarHBondContact O-OG 3.27Å; R220-H262 HydrophobicContact CG-CB 4.22Å |
| 221 | D | 89.9 | Confident | 94.9 | Very high | 102 Ų | 102 | 44.5 Ų | 44.5 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.1 | -42.6 | -171.4 | -70.4 | -26 | 0 | 0 | 0 | 110 | D219 S224 N225 | D219-D221 VanDerWaalsContact C-N 3.35Å; D219-D221 PolarHBondContact O-N 2.96Å; D219-D221 PolarHBondContact OD1-N 3.33Å; D221-S224 PolarHBondContact O-N 3.43Å; D221-S224 PolarHBondContact O-OG 3.38Å; D221-N225 PolarHBondContact O-N 2.8Å |
| 222 | I | 91.9 | Very high | 95 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -50.2 | 172.8 | -59.5 | -65.9 | 0 | 0 | 0 | 111.3 | E133 F174 L216 D219 S224 N225 I228 | E133-I222 VanDerWaalsContact OE1-CD1 3.25Å; E133-I222 WeakPolarHBondContact OE1-CD1 3.29Å; F174-I222 HydrophobicContact CD1-CD1 4.02Å; F174-I222 HydrophobicContact CE1-CD1 3.71Å; F174-I222 HydrophobicContact CZ-CD1 4.36Å; L216-I222 HydrophobicContact CB-CG2 3.96Å; L216-I222 HydrophobicContact CD2-CG2 3.97Å; L216-I222 WeakPolarHBondContact O-CG2 3.46Å; D219-I222 HydrophobicContact CB-CB 4.09Å; D219-I222 HydrophobicContact CB-CG1 3.99Å; I222-S224 PolarHBondContact O-N 3.07Å; I222-N225 WeakPolarHBondContact O-CB 3.31Å; I222-N225 PolarHBondContact O-N 3.46Å; I222-N225 VanDerWaalsContact O-N 3.15Å; I222-I228 HydrophobicContact CD1-CD1 4.22Å; I222-I228 HydrophobicContact CG2-CD1 4.18Å; I222-I228 HydrophobicContact CG2-CG2 3.84Å |
| 223 | A | 91.5 | Very high | 95 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -28.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 D219 R220 R229 | L217-A223 HydrophobicContact CD2-CB 4.27Å; D219-A223 WeakPolarHBondContact O-CB 3.25Å; D219-A223 PolarHBondContact O-N 3.42Å; R220-A223 PolarHBondContact O-N 2.93Å; A223-R229 WeakPolarHBondContact O-CD 3.28Å; A223-R229 PolarHBondContact O-NH1 3.2Å |
| 224 | S | 92.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 47% | 0.469 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.8 | -27.6 | 177.7 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | R220 D221 I222 A226 R229 | R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.07Å; R220-S224 PolarHBondContact O-OG 3.27Å; D221-S224 PolarHBondContact O-N 3.43Å; D221-S224 PolarHBondContact O-OG 3.38Å; I222-S224 PolarHBondContact O-N 3.07Å; S224-A226 PolarHBondContact O-N 2.99Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 3.06Å |
| 225 | N | 94.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | trans | -63.6 | 120.2 | 177.5 | -173.9 | -53.8 | 0 | 0 | 0 | 110.5 | F174 D221 I222 N227 I228 R229 | F174-N225 HydrophobicContact CD1-CB 3.98Å; F174-N225 VanDerWaalsContact CD1-ND2 3.25Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.46Å; F174-N225 HydrophobicContact CE1-CB 4.21Å; D221-N225 PolarHBondContact O-N 2.8Å; I222-N225 WeakPolarHBondContact O-CB 3.31Å; I222-N225 PolarHBondContact O-N 3.46Å; I222-N225 VanDerWaalsContact O-N 3.15Å; N225-N227 PolarHBondContact O-N 3.32Å; N225-N227 PolarHBondContact OD1-N 3.49Å; N225-I228 HydrophobicContact CB-CB 4.36Å; N225-I228 HydrophobicContact CB-CD1 4.25Å; N225-I228 HydrophobicContact CB-CG1 4.31Å; N225-I228 PolarHBondContact OD1-N 3.44Å; N225-R229 WeakPolarHBondContact O-CB 3.43Å; N225-R229 PolarHBondContact O-N 3.35Å | ||
| 226 | A | 94.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -40.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S224 I230 | S224-A226 PolarHBondContact O-N 2.99Å; A226-I230 WeakPolarHBondContact O-CB 3.44Å; A226-I230 WeakPolarHBondContact O-CD1 3.35Å; A226-I230 WeakPolarHBondContact O-CG1 3.39Å; A226-I230 PolarHBondContact O-N 3.45Å |
| 227 | N | 96.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.8 | -46.9 | -176.2 | -65.5 | -7.3 | 0 | 0 | 0 | 111.4 | E178 N225 I230 A231 | E178-N227 HydrophobicContact CG-CB 4.13Å; E178-N227 WeakPolarHBondContact OE2-CB 3.18Å; E178-N227 PolarHBondContact OE2-ND2 3.36Å; E178-N227 VanDerWaalsContact OE2-ND2 3.14Å; N225-N227 PolarHBondContact O-N 3.32Å; N225-N227 PolarHBondContact OD1-N 3.49Å; N227-I230 PolarHBondContact O-N 3.15Å; N227-A231 WeakPolarHBondContact O-CB 3.41Å; N227-A231 PolarHBondContact O-N 3Å |
| 228 | I | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.6 | -57.7 | 178.8 | 0 | 0 | 0 | 110 | F174 C177 E178 I222 N225 I230 A231 V232 | F174-I228 HydrophobicContact CB-CD1 4.13Å; F174-I228 HydrophobicContact CD1-CD1 3.6Å; F174-I228 HydrophobicContact CG-CD1 4.31Å; C177-I228 HydrophobicContact CB-CD1 4.09Å; E178-I228 HydrophobicContact CB-CG1 4.21Å; I222-I228 HydrophobicContact CD1-CD1 4.22Å; I222-I228 HydrophobicContact CG2-CD1 4.18Å; I222-I228 HydrophobicContact CG2-CG2 3.84Å; N225-I228 HydrophobicContact CB-CB 4.36Å; N225-I228 HydrophobicContact CB-CD1 4.25Å; N225-I228 HydrophobicContact CB-CG1 4.31Å; N225-I228 PolarHBondContact OD1-N 3.44Å; I228-I230 VanDerWaalsContact C-N 3.31Å; I228-I230 PolarHBondContact O-N 3.39Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 2.97Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-V232 HydrophobicContact CG2-CG2 4.16Å; I228-V232 WeakPolarHBondContact O-CG2 3.47Å; I228-V232 PolarHBondContact O-N 3.08Å |
| 229 | R | 96.3 | 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 | -57.8 | -43.6 | 177.1 | -177.1 | 171.2 | 57.5 | -116.3 | -3.3 | 111.8 | A223 S224 N225 V232 I233 | A223-R229 WeakPolarHBondContact O-CD 3.28Å; A223-R229 PolarHBondContact O-NH1 3.2Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 3.06Å; N225-R229 WeakPolarHBondContact O-CB 3.43Å; N225-R229 PolarHBondContact O-N 3.35Å; R229-V232 PolarHBondContact O-N 3.49Å; R229-I233 HydrophobicContact CG-CD1 3.89Å; R229-I233 WeakPolarHBondContact O-CB 3.46Å; R229-I233 WeakPolarHBondContact O-CD1 3.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.49Å; R229-I233 PolarHBondContact O-N 3.35Å |
| 230 | I | 96.2 | Very high | 95.5 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.3 | -71.4 | 164.4 | 0 | 0 | 0 | 111.1 | A226 N227 I228 I233 R234 | A226-I230 WeakPolarHBondContact O-CB 3.44Å; A226-I230 WeakPolarHBondContact O-CD1 3.35Å; A226-I230 WeakPolarHBondContact O-CG1 3.39Å; A226-I230 PolarHBondContact O-N 3.45Å; N227-I230 PolarHBondContact O-N 3.15Å; I228-I230 VanDerWaalsContact C-N 3.31Å; I228-I230 PolarHBondContact O-N 3.39Å; I230-I233 PolarHBondContact O-N 3.17Å; I230-R234 WeakPolarHBondContact O-CG 3.36Å; I230-R234 PolarHBondContact O-N 2.94Å |
| 231 | A | 97.4 | Very high | 95.5 | Very high | 12 Ų | 12 | 37 Ų | 37 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V181 N227 I228 R234 L235 | V181-A231 HydrophobicContact CB-CB 4.04Å; V181-A231 VanDerWaalsContact CG1-C 3.49Å; V181-A231 HydrophobicContact CG1-CB 3.69Å; N227-A231 WeakPolarHBondContact O-CB 3.41Å; N227-A231 PolarHBondContact O-N 3Å; I228-A231 WeakPolarHBondContact O-CB 3.47Å; I228-A231 PolarHBondContact O-N 2.97Å; I228-A231 VanDerWaalsContact O-N 3.1Å; A231-R234 PolarHBondContact O-N 2.98Å; A231-L235 PolarHBondContact O-N 3.2Å |
| 232 | V | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.3 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | V181 C213 L216 L217 I228 R229 R234 L235 L236 | V181-V232 HydrophobicContact CG1-CG2 4.05Å; V181-V232 HydrophobicContact CG2-CG2 4.43Å; C213-V232 HydrophobicContact CB-CG1 3.86Å; L216-V232 HydrophobicContact CD1-CG2 4.36Å; L217-V232 HydrophobicContact CD1-CG1 3.98Å; L217-V232 HydrophobicContact CD2-CG1 4.17Å; L217-V232 HydrophobicContact CG-CG1 4.08Å; I228-V232 HydrophobicContact CG2-CG2 4.16Å; I228-V232 WeakPolarHBondContact O-CG2 3.47Å; I228-V232 PolarHBondContact O-N 3.08Å; R229-V232 PolarHBondContact O-N 3.49Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 3.16Å; V232-L235 PolarHBondContact O-N 2.85Å; V232-L236 HydrophobicContact CG1-CD1 4.02Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.44Å |
| 233 | I | 97.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 176.4 | -72.7 | 164.3 | 0 | 0 | 0 | 110.7 | R229 I230 L236 A237 A269 I270 S273 | R229-I233 HydrophobicContact CG-CD1 3.89Å; R229-I233 WeakPolarHBondContact O-CB 3.46Å; R229-I233 WeakPolarHBondContact O-CD1 3.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.49Å; R229-I233 PolarHBondContact O-N 3.35Å; I230-I233 PolarHBondContact O-N 3.17Å; I233-L236 PolarHBondContact O-N 3.48Å; I233-A237 WeakPolarHBondContact O-CB 3.37Å; I233-A237 PolarHBondContact O-N 3.48Å; I233-A269 HydrophobicContact CD1-CB 4.23Å; I233-I270 HydrophobicContact CD1-CG1 4.25Å; I233-I270 HydrophobicContact CG1-CB 4.46Å; I233-I270 HydrophobicContact CG1-CG1 3.67Å; I233-S273 WeakPolarHBondContact CG2-OG 3.37Å |
| 234 | R | 96.8 | Very high | 95.7 | Very high | 133 Ų | 133 | 41.6 Ų | 41.6 | 50% | 0.502 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -44.7 | 178.8 | -75 | 174.2 | 176.8 | 173.8 | 2.5 | 112 | I230 A231 V232 A237 T238 | I230-R234 WeakPolarHBondContact O-CG 3.36Å; I230-R234 PolarHBondContact O-N 2.94Å; A231-R234 PolarHBondContact O-N 2.98Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 3.16Å; R234-A237 PolarHBondContact O-N 3.31Å; R234-T238 PolarHBondContact O-N 3.5Å; R234-T238 PolarHBondContact O-OG1 3.47Å |
| 235 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.3 | 177.5 | 49.6 | 0 | 0 | 0 | 111 | V181 L184 D185 C188 P209 C213 A231 V232 A237 T238 L239 | V181-L235 HydrophobicContact CG1-CB 4.29Å; V181-L235 HydrophobicContact CG1-CD2 4Å; L184-L235 HydrophobicContact CB-CD1 4.41Å; L184-L235 HydrophobicContact CB-CD2 3.65Å; L184-L235 HydrophobicContact CD1-CD2 4.25Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.22Å; C188-L235 HydrophobicContact CB-CD1 4.4Å; P209-L235 HydrophobicContact CB-CD1 4.34Å; P209-L235 HydrophobicContact CB-CD2 4.19Å; C213-L235 WeakPolarHBondContact SG-CD2 3.47Å; A231-L235 PolarHBondContact O-N 3.2Å; V232-L235 PolarHBondContact O-N 2.85Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.14Å; L235-T238 WeakPolarHBondContact O-CB 3.49Å; L235-T238 PolarHBondContact O-N 2.83Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 HydrophobicContact CD1-CD2 4.3Å; L235-L239 HydrophobicContact CD1-CG 3.95Å; L235-L239 HydrophobicContact CG-CD1 4.12Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.29Å; L235-L239 WeakPolarHBondContact O-CG 3.12Å; L235-L239 PolarHBondContact O-N 2.9Å |
| 236 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -42.4 | 176.2 | -70.5 | 177.8 | 0 | 0 | 0 | 112.1 | C213 Y214 L217 V232 I233 T238 L239 V240 F274 | C213-L236 HydrophobicContact CB-CD2 3.88Å; C213-L236 HydrophobicContact CB-CG 4.17Å; Y214-L236 HydrophobicContact CE1-CD1 4.41Å; Y214-L236 HydrophobicContact CE1-CD2 3.81Å; L217-L236 HydrophobicContact CD1-CD1 4.47Å; V232-L236 HydrophobicContact CG1-CD1 4.02Å; V232-L236 HydrophobicContact CG1-CG 4.35Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.44Å; I233-L236 PolarHBondContact O-N 3.48Å; L236-T238 PolarHBondContact O-N 3.37Å; L236-L239 PolarHBondContact O-N 2.98Å; L236-V240 WeakPolarHBondContact O-CB 3.04Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.24Å; L236-F274 HydrophobicContact CB-CZ 4.27Å |
| 237 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I233 R234 L235 R241 F274 E278 L280 | I233-A237 WeakPolarHBondContact O-CB 3.37Å; I233-A237 PolarHBondContact O-N 3.48Å; R234-A237 PolarHBondContact O-N 3.31Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.14Å; A237-R241 WeakPolarHBondContact O-CB 3.34Å; A237-R241 PolarHBondContact O-N 3.24Å; A237-F274 HydrophobicContact CB-CD1 4.49Å; A237-F274 HydrophobicContact CB-CE1 3.91Å; A237-E278 HydrophobicContact CB-CB 4.5Å; A237-E278 HydrophobicContact CB-CG 3.74Å; A237-L280 HydrophobicContact CB-CD1 4.4Å |
| 238 | T | 96.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.4 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | D185 C188 R189 R234 L235 L236 V240 R241 R242 | D185-T238 WeakPolarHBondContact OD1-CB 3.25Å; D185-T238 PolarHBondContact OD1-OG1 2.97Å; C188-T238 HydrophobicContact CB-CG2 3.73Å; R189-T238 HydrophobicContact CG-CG2 3.75Å; R189-T238 PolarHBondContact NE-OG1 3.39Å; R234-T238 PolarHBondContact O-N 3.5Å; R234-T238 PolarHBondContact O-OG1 3.47Å; L235-T238 WeakPolarHBondContact O-CB 3.49Å; L235-T238 PolarHBondContact O-N 2.83Å; L236-T238 PolarHBondContact O-N 3.37Å; T238-V240 PolarHBondContact O-N 3.15Å; T238-R241 PolarHBondContact O-N 2.81Å; T238-R242 WeakPolarHBondContact O-CB 3.37Å; T238-R242 PolarHBondContact O-N 3.41Å |
| 239 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | -179.7 | -66.3 | 173.4 | 0 | 0 | 0 | 111.7 | C188 I206 P209 A210 L235 L236 Y243 H245 | C188-L239 HydrophobicContact CB-CD2 4.4Å; I206-L239 HydrophobicContact CG2-CD2 4.17Å; P209-L239 HydrophobicContact CB-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD2 3.97Å; A210-L239 HydrophobicContact CB-CD1 3.95Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 HydrophobicContact CD1-CD2 4.3Å; L235-L239 HydrophobicContact CD1-CG 3.95Å; L235-L239 HydrophobicContact CG-CD1 4.12Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.29Å; L235-L239 WeakPolarHBondContact O-CG 3.12Å; L235-L239 PolarHBondContact O-N 2.9Å; L236-L239 PolarHBondContact O-N 2.98Å; L239-Y243 HydrophobicContact CD2-CD2 4.28Å; L239-Y243 WeakPolarHBondContact O-CA 3.4Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 3.41Å; L239-H245 HydrophobicContact CB-CB 4.2Å |
| 240 | V | 96.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | L236 T238 G244 C249 L280 V283 | L236-V240 WeakPolarHBondContact O-CB 3.04Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.24Å; T238-V240 PolarHBondContact O-N 3.15Å; V240-G244 PolarHBondContact O-N 3.42Å; V240-C249 HydrophobicContact CG2-CB 4.07Å; V240-L280 HydrophobicContact CG1-CD1 4.17Å; V240-V283 HydrophobicContact CG1-CG1 4.16Å; V240-V283 HydrophobicContact CG1-CG2 3.73Å |
| 241 | R | 92.1 | Very high | 96 | Very high | 118 Ų | 118 | 34.9 Ų | 34.9 | 45% | 0.445 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -38.7 | -174.2 | -176.9 | 176.1 | -64.7 | 111.3 | -3.1 | 113.5 | A237 T238 E278 | A237-R241 WeakPolarHBondContact O-CB 3.34Å; A237-R241 PolarHBondContact O-N 3.24Å; T238-R241 PolarHBondContact O-N 2.81Å; R241-E278 IonicContact CZ-OE2 2.77Å; R241-E278 IonicContact NH1-OE2 2.64Å; R241-E278 PolarHBondContact NH1-OE2 3.44Å; R241-E278 PolarHBondContact NH2-O 2.92Å; R241-E278 IonicContact NH2-OE2 3.4Å; R241-E278 PolarHBondContact NH2-OE2 2.73Å |
| 242 | R | 92.9 | Very high | 96 | Very high | 102 Ų | 102 | 38.2 Ų | 38.2 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -101 | -26.4 | -168.8 | -64.5 | -165.9 | 66.4 | 156.1 | -8.8 | 114.5 | R189 L190 T238 | R189-R242 PolarHBondContact O-NH1 3.21Å; L190-R242 PolarHBondContact O-NH2 3.43Å; T238-R242 WeakPolarHBondContact O-CB 3.37Å; T238-R242 PolarHBondContact O-N 3.41Å |
| 243 | Y | 94.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 18% | 0.18 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -123.8 | 10.3 | -171.2 | -57.5 | -83.2 | 0 | 0 | 0 | 113.2 | C188 L192 A201 I206 L239 H245 | C188-Y243 HydrophobicContact CB-CE2 4.1Å; C188-Y243 VanDerWaalsContact O-CE2 3.27Å; C188-Y243 WeakPolarHBondContact O-CE2 3.27Å; C188-Y243 PolarHBondContact O-OH 3.35Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.42Å; A201-Y243 HydrophobicContact CB-CD1 3.97Å; A201-Y243 HydrophobicContact CB-CE1 3.96Å; I206-Y243 HydrophobicContact CD1-CD1 3.28Å; I206-Y243 HydrophobicContact CD1-CD2 4.04Å; I206-Y243 HydrophobicContact CD1-CE1 3.78Å; I206-Y243 HydrophobicContact CD1-CE2 4.47Å; I206-Y243 HydrophobicContact CD1-CG 3.42Å; I206-Y243 VanDerWaalsContact CD1-CG 3.42Å; I206-Y243 HydrophobicContact CG1-CD1 4.16Å; I206-Y243 HydrophobicContact CG1-CG 4.2Å; L239-Y243 HydrophobicContact CD2-CD2 4.28Å; L239-Y243 WeakPolarHBondContact O-CA 3.4Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 3.41Å; Y243-H245 VanDerWaalsContact C-N 3.3Å; Y243-H245 PolarHBondContact O-N 2.83Å |
| 244 | G | 90.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 61% | 0.608 | 19% | 0.189 | S | C | * | . | trans | 69 | 24.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V240 S246 | V240-G244 PolarHBondContact O-N 3.42Å; G244-S246 PolarHBondContact O-N 2.91Å; G244-S246 VanDerWaalsContact O-N 3.09Å | ||
| 245 | H | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 20.1 | -174.2 | -161 | 69.6 | 0 | 0 | 0 | 114.5 | I206 A210 Y214 L239 Y243 A248 C249 | I206-H245 HydrophobicContact CG2-CB 4.38Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.49Å; Y214-H245 AromaticContact CE2-NE2 3.93Å; Y214-H245 AromaticContact CZ-NE2 3.99Å; Y214-H245 PolarHBondContact OH-CD2 2.66Å; Y214-H245 PolarHBondContact OH-NE2 3.39Å; Y214-H245 VanDerWaalsContact OH-NE2 3.13Å; L239-H245 HydrophobicContact CB-CB 4.2Å; Y243-H245 VanDerWaalsContact C-N 3.3Å; Y243-H245 PolarHBondContact O-N 2.83Å; H245-A248 VanDerWaalsContact CE1-CB 3.47Å; H245-A248 WeakPolarHBondContact CE1-CB 3.45Å; H245-C249 WeakPolarHBondContact O-CB 3.45Å; H245-C249 PolarHBondContact O-N 2.96Å; H245-C249 VanDerWaalsContact O-N 3.09Å |
| 246 | S | 94.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | -171.7 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | G244 C249 S250 E286 | G244-S246 PolarHBondContact O-N 2.91Å; G244-S246 VanDerWaalsContact O-N 3.09Å; S246-C249 PolarHBondContact O-N 2.7Å; S246-S250 WeakPolarHBondContact O-CB 3.18Å; S246-S250 PolarHBondContact O-N 2.79Å; S246-S250 PolarHBondContact O-OG 3.37Å; S246-E286 PolarHBondContact OG-OE2 3.02Å |
| 247 | I | 94.8 | Very high | 95.8 | Very high | 114 Ų | 114 | 35.5 Ų | 35.5 | 59% | 0.585 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.7 | -53.7 | -177.1 | -60.6 | 158.3 | 0 | 0 | 0 | 109.9 | C249 S250 V251 E286 | I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.01Å; I247-S250 WeakPolarHBondContact O-CB 3.44Å; I247-S250 PolarHBondContact O-N 2.63Å; I247-S250 VanDerWaalsContact O-N 3.16Å; I247-V251 WeakPolarHBondContact O-CG2 3.25Å; I247-V251 PolarHBondContact O-N 3Å; I247-V251 VanDerWaalsContact O-N 3.08Å; I247-E286 WeakPolarHBondContact CA-OE1 3.43Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.15Å |
| 248 | A | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60 | -40.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H245 V251 K252 | H245-A248 VanDerWaalsContact CE1-CB 3.47Å; H245-A248 WeakPolarHBondContact CE1-CB 3.45Å; A248-V251 PolarHBondContact O-N 2.96Å; A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 WeakPolarHBondContact O-CG 3.35Å; A248-K252 PolarHBondContact O-N 2.92Å |
| 249 | C | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | Y214 V240 H245 S246 I247 V251 K252 L253 | Y214-C249 WeakPolarHBondContact OH-CA 3.33Å; Y214-C249 WeakPolarHBondContact OH-CB 3.08Å; V240-C249 HydrophobicContact CG2-CB 4.07Å; H245-C249 WeakPolarHBondContact O-CB 3.45Å; H245-C249 PolarHBondContact O-N 2.96Å; H245-C249 VanDerWaalsContact O-N 3.09Å; S246-C249 PolarHBondContact O-N 2.7Å; I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.01Å; C249-V251 PolarHBondContact O-N 3.1Å; C249-K252 PolarHBondContact O-N 3.31Å; C249-L253 WeakPolarHBondContact O-CB 3.43Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.21Å; C249-L253 PolarHBondContact O-N 3.39Å |
| 250 | S | 96.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | S246 I247 A254 L287 | S246-S250 WeakPolarHBondContact O-CB 3.18Å; S246-S250 PolarHBondContact O-N 2.79Å; S246-S250 PolarHBondContact O-OG 3.37Å; I247-S250 WeakPolarHBondContact O-CB 3.44Å; I247-S250 PolarHBondContact O-N 2.63Å; I247-S250 VanDerWaalsContact O-N 3.16Å; S250-A254 WeakPolarHBondContact O-CB 3.42Å; S250-A254 PolarHBondContact O-N 3.34Å; S250-L287 WeakPolarHBondContact O-CD1 3.33Å |
| 251 | V | 96.9 | Very high | 95.4 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | I247 A248 C249 A254 Q255 E290 | I247-V251 WeakPolarHBondContact O-CG2 3.25Å; I247-V251 PolarHBondContact O-N 3Å; I247-V251 VanDerWaalsContact O-N 3.08Å; A248-V251 PolarHBondContact O-N 2.96Å; C249-V251 PolarHBondContact O-N 3.1Å; V251-A254 PolarHBondContact O-N 3.36Å; V251-Q255 WeakPolarHBondContact O-CG 3.37Å; V251-Q255 PolarHBondContact O-N 3.46Å; V251-E290 HydrophobicContact CG2-CG 4.35Å |
| 252 | K | 97.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -40.9 | -177.9 | -74.6 | -71.4 | 178.6 | -169.4 | 0 | 112.8 | Y214 A248 C249 Q255 L256 | Y214-K252 HydrophobicContact CD1-CB 3.87Å; Y214-K252 HydrophobicContact CD2-CB 3.83Å; Y214-K252 HydrophobicContact CD2-CD 4.13Å; Y214-K252 HydrophobicContact CD2-CG 3.77Å; Y214-K252 HydrophobicContact CE1-CB 3.76Å; Y214-K252 HydrophobicContact CE2-CB 3.73Å; Y214-K252 HydrophobicContact CE2-CG 3.68Å; Y214-K252 HydrophobicContact CG-CB 3.94Å; Y214-K252 HydrophobicContact CG-CG 4.32Å; A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 WeakPolarHBondContact O-CG 3.35Å; A248-K252 PolarHBondContact O-N 2.92Å; C249-K252 PolarHBondContact O-N 3.31Å; K252-Q255 PolarHBondContact O-N 3.14Å; K252-L256 WeakPolarHBondContact O-CG 3.32Å; K252-L256 PolarHBondContact O-N 3.5Å |
| 253 | L | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -36.1 | 176.5 | -68.8 | 177 | 0 | 0 | 0 | 112.2 | Y214 L217 C249 L256 L257 L267 I270 L287 | Y214-L253 HydrophobicContact CD1-CD2 4.46Å; Y214-L253 HydrophobicContact CE1-CD2 4.26Å; Y214-L253 HydrophobicContact CE1-CG 4.4Å; L217-L253 HydrophobicContact CD1-CD2 4.18Å; C249-L253 WeakPolarHBondContact O-CB 3.43Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.21Å; C249-L253 PolarHBondContact O-N 3.39Å; L253-L256 HydrophobicContact CD2-CD1 4.35Å; L253-L256 PolarHBondContact O-N 2.81Å; L253-L257 PolarHBondContact O-N 3.35Å; L253-L267 HydrophobicContact CB-CD1 3.83Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.09Å; L253-L267 HydrophobicContact CG-CD1 4.11Å; L253-I270 HydrophobicContact CD1-CD1 4.42Å; L253-I270 HydrophobicContact CD1-CG2 4.22Å; L253-I270 HydrophobicContact CD2-CD1 3.82Å; L253-L287 HydrophobicContact CB-CD1 3.84Å; L253-L287 HydrophobicContact CD1-CD2 4.47Å |
| 254 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | S250 V251 L256 L257 Q258 E290 I291 Y294 | S250-A254 WeakPolarHBondContact O-CB 3.42Å; S250-A254 PolarHBondContact O-N 3.34Å; V251-A254 PolarHBondContact O-N 3.36Å; A254-L256 PolarHBondContact O-N 3.08Å; A254-L257 PolarHBondContact O-N 2.95Å; A254-Q258 PolarHBondContact O-N 3.32Å; A254-E290 HydrophobicContact CB-CG 3.91Å; A254-I291 HydrophobicContact CB-CG1 3.94Å; A254-Y294 HydrophobicContact CB-CE2 3.87Å |
| 255 | Q | 95.8 | Very high | 96 | Very high | 77 Ų | 77 | 38.1 Ų | 38.1 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 175 | -72.8 | 173.9 | -6.6 | 0 | 0 | 112.4 | V251 K252 Q258 C259 Y294 | V251-Q255 WeakPolarHBondContact O-CG 3.37Å; V251-Q255 PolarHBondContact O-N 3.46Å; K252-Q255 PolarHBondContact O-N 3.14Å; Q255-Q258 WeakPolarHBondContact O-CB 3.32Å; Q255-Q258 PolarHBondContact O-N 2.98Å; Q255-C259 PolarHBondContact O-N 3.38Å; Q255-C259 VanDerWaalsContact O-N 3.15Å; Q255-C259 PolarHBondContact O-SG 3Å; Q255-Y294 PolarHBondContact N-OH 2.91Å |
| 256 | L | 98 | Very high | 96 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.5 | -72.3 | 173.4 | 0 | 0 | 0 | 111.5 | Y214 L217 E218 K252 L253 A254 Q258 C259 F260 M263 | Y214-L256 HydrophobicContact CD1-CD1 4.08Å; L217-L256 HydrophobicContact CB-CD1 3.93Å; L217-L256 HydrophobicContact CD1-CD1 4.18Å; E218-L256 HydrophobicContact CG-CD2 3.59Å; K252-L256 WeakPolarHBondContact O-CG 3.32Å; K252-L256 PolarHBondContact O-N 3.5Å; L253-L256 HydrophobicContact CD2-CD1 4.35Å; L253-L256 PolarHBondContact O-N 2.81Å; A254-L256 PolarHBondContact O-N 3.08Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 3.5Å; L256-C259 PolarHBondContact O-N 2.95Å; L256-F260 HydrophobicContact CD2-CD2 3.94Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.43Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 3.26Å; L256-M263 HydrophobicContact CB-CE 4Å; L256-M263 HydrophobicContact CB-CG 4.1Å; L256-M263 HydrophobicContact CB-SD 4.41Å; L256-M263 HydrophobicContact CD1-CE 4.27Å |
| 257 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 175.6 | -179 | 62.1 | 0 | 0 | 0 | 112.4 | L253 A254 C259 M263 V264 L267 I291 N308 F309 F312 | L253-L257 PolarHBondContact O-N 3.35Å; A254-L257 PolarHBondContact O-N 2.95Å; L257-C259 VanDerWaalsContact C-N 3.35Å; L257-C259 PolarHBondContact O-N 3.49Å; L257-M263 HydrophobicContact CB-CB 4.48Å; L257-M263 HydrophobicContact CD1-CB 4.15Å; L257-V264 HydrophobicContact CD1-CG2 3.82Å; L257-L267 HydrophobicContact CB-CD2 4.25Å; L257-L267 HydrophobicContact CD2-CD2 3.88Å; L257-I291 HydrophobicContact CD2-CD1 3.91Å; L257-I291 HydrophobicContact CD2-CG1 4.45Å; L257-N308 HydrophobicContact CD1-CB 4.09Å; L257-N308 HydrophobicContact CG-CB 4.42Å; L257-N308 VanDerWaalsContact O-CB 3.29Å; L257-N308 WeakPolarHBondContact O-CB 3.5Å; L257-N308 PolarHBondContact O-ND2 2.97Å; L257-F309 HydrophobicContact CB-CE1 4.07Å; L257-F309 HydrophobicContact CD2-CD1 3.46Å; L257-F309 VanDerWaalsContact CD2-CD1 3.46Å; L257-F309 HydrophobicContact CD2-CE1 3.73Å; L257-F309 HydrophobicContact CG-CD1 3.79Å; L257-F309 HydrophobicContact CG-CE1 3.82Å; L257-F312 HydrophobicContact CD1-CB 4.16Å; L257-F312 HydrophobicContact CD1-CG 4.5Å; L257-F312 HydrophobicContact CD2-CB 3.76Å; L257-F312 HydrophobicContact CD2-CD1 3.62Å; L257-F312 HydrophobicContact CD2-CD2 4.42Å; L257-F312 HydrophobicContact CD2-CE1 4.33Å; L257-F312 HydrophobicContact CD2-CG 3.66Å |
| 258 | Q | 93.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 173.8 | -169.9 | -173.8 | 6.4 | 0 | 0 | 110.9 | A254 Q255 L256 Y294 A305 N308 F309 | A254-Q258 PolarHBondContact O-N 3.32Å; Q255-Q258 WeakPolarHBondContact O-CB 3.32Å; Q255-Q258 PolarHBondContact O-N 2.98Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 3.5Å; Q258-Y294 HydrophobicContact CB-CE1 4.46Å; Q258-Y294 HydrophobicContact CG-CE1 4.36Å; Q258-A305 HydrophobicContact CB-CB 4.49Å; Q258-A305 HydrophobicContact CG-CB 3.55Å; Q258-N308 PolarHBondContact O-ND2 3.41Å; Q258-F309 HydrophobicContact CB-CE2 4.24Å; Q258-F309 HydrophobicContact CB-CZ 3.79Å; Q258-F309 HydrophobicContact CG-CE2 4.24Å; Q258-F309 HydrophobicContact CG-CZ 4.27Å |
| 259 | C | 94.3 | Very high | 96.2 | Very high | 75 Ų | 75 | 31.1 Ų | 31.1 | 51% | 0.507 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -81.7 | -29.7 | -170.1 | -60.4 | 0 | 0 | 0 | 0 | 114 | Q255 L256 L257 | Q255-C259 PolarHBondContact O-N 3.38Å; Q255-C259 VanDerWaalsContact O-N 3.15Å; Q255-C259 PolarHBondContact O-SG 3Å; L256-C259 PolarHBondContact O-N 2.95Å; L257-C259 VanDerWaalsContact C-N 3.35Å; L257-C259 PolarHBondContact O-N 3.49Å |
| 260 | F | 95.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 26% | 0.259 | 17% | 0.173 | S | C | . | . | trans | -128.4 | 118.8 | -164 | -59.2 | -68.4 | 0 | 0 | 0 | 113.5 | E218 L256 H262 M263 | E218-F260 HydrophobicContact CB-CE2 3.92Å; E218-F260 HydrophobicContact CB-CZ 3.84Å; E218-F260 HydrophobicContact CG-CE2 3.75Å; E218-F260 HydrophobicContact CG-CZ 4.01Å; L256-F260 HydrophobicContact CD2-CD2 3.94Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.43Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 3.26Å; F260-H262 VanDerWaalsContact C-N 3.35Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.29Å; F260-H262 AromaticContact CG-CE1 3.87Å; F260-H262 PolarHBondContact O-N 2.91Å; F260-M263 HydrophobicContact CB-CB 4.45Å; F260-M263 HydrophobicContact CB-CG 3.77Å; F260-M263 VanDerWaalsContact O-CB 3.3Å; F260-M263 WeakPolarHBondContact O-CB 3.46Å; F260-M263 PolarHBondContact O-N 3.36Å; F260-M263 VanDerWaalsContact O-N 3.13Å | ||
| 261 | P | 94.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 31 Ų | 31 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -31.8 | -177.3 | -21.4 | 32 | 0 | 0 | 0 | 114.7 | M263 V264 Q304 N308 | P261-M263 PolarHBondContact O-N 2.86Å; P261-V264 WeakPolarHBondContact O-CG2 3.41Å; P261-V264 PolarHBondContact O-N 3.4Å; P261-Q304 HydrophobicContact CG-CG 4.3Å; P261-N308 WeakPolarHBondContact CA-OD1 3.13Å |
| 262 | H | 95 | Very high | 96.2 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.2 | 178.3 | 63.8 | -88.9 | 0 | 0 | 0 | 112.9 | L217 E218 R220 F260 V264 T265 C266 | L217-H262 PolarHBondContact O-NE2 2.84Å; E218-H262 PolarHBondContact O-CE1 3.09Å; R220-H262 HydrophobicContact CG-CB 4.22Å; F260-H262 VanDerWaalsContact C-N 3.35Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.29Å; F260-H262 AromaticContact CG-CE1 3.87Å; F260-H262 PolarHBondContact O-N 2.91Å; H262-V264 PolarHBondContact O-N 3.21Å; H262-T265 PolarHBondContact O-N 3.25Å; H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3Å; H262-C266 VanDerWaalsContact O-SG 3.34Å |
| 263 | M | 97 | Very high | 96 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -18.3 | 177.7 | -72.8 | -60.8 | -56.6 | 0 | 0 | 112.9 | L217 L256 L257 F260 P261 T265 C266 L267 | L217-M263 HydrophobicContact CB-CE 4.48Å; L217-M263 HydrophobicContact CB-SD 4.08Å; L217-M263 HydrophobicContact CD1-CE 4.46Å; L256-M263 HydrophobicContact CB-CE 4Å; L256-M263 HydrophobicContact CB-CG 4.1Å; L256-M263 HydrophobicContact CB-SD 4.41Å; L256-M263 HydrophobicContact CD1-CE 4.27Å; L257-M263 HydrophobicContact CB-CB 4.48Å; L257-M263 HydrophobicContact CD1-CB 4.15Å; F260-M263 HydrophobicContact CB-CB 4.45Å; F260-M263 HydrophobicContact CB-CG 3.77Å; F260-M263 VanDerWaalsContact O-CB 3.3Å; F260-M263 WeakPolarHBondContact O-CB 3.46Å; F260-M263 PolarHBondContact O-N 3.36Å; F260-M263 VanDerWaalsContact O-N 3.13Å; P261-M263 PolarHBondContact O-N 2.86Å; M263-T265 VanDerWaalsContact C-N 3.34Å; M263-T265 PolarHBondContact O-N 3.15Å; M263-C266 HydrophobicContact CE-CB 4.32Å; M263-C266 PolarHBondContact O-N 3.13Å; M263-C266 HydrophobicContact SD-CB 4.02Å; M263-L267 HydrophobicContact CE-CB 4.5Å; M263-L267 WeakPolarHBondContact O-CA 3.44Å; M263-L267 WeakPolarHBondContact O-CB 3.47Å; M263-L267 PolarHBondContact O-N 3.34Å |
| 264 | V | 96.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.5 | -51.8 | 171.1 | 177 | 0 | 0 | 0 | 0 | 110.3 | L257 P261 H262 M268 N308 N311 F312 | L257-V264 HydrophobicContact CD1-CG2 3.82Å; P261-V264 WeakPolarHBondContact O-CG2 3.41Å; P261-V264 PolarHBondContact O-N 3.4Å; H262-V264 PolarHBondContact O-N 3.21Å; V264-M268 WeakPolarHBondContact O-CB 3.36Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.3Å; V264-M268 PolarHBondContact O-N 3.43Å; V264-M268 VanDerWaalsContact O-N 3.14Å; V264-N308 HydrophobicContact CG2-CB 4.34Å; V264-N311 HydrophobicContact CG1-CB 4.14Å; V264-N311 HydrophobicContact CG2-CB 4.22Å; V264-F312 HydrophobicContact CG1-CB 4.25Å; V264-F312 HydrophobicContact CG2-CB 4.41Å |
| 265 | T | 95.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 32.8 Ų | 32.8 | 64% | 0.638 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -71.5 | -40.9 | -179.5 | -49.2 | 0 | 0 | 0 | 0 | 112 | H262 M263 M268 A269 | H262-T265 PolarHBondContact O-N 3.25Å; M263-T265 VanDerWaalsContact C-N 3.34Å; M263-T265 PolarHBondContact O-N 3.15Å; T265-M268 PolarHBondContact O-N 3Å; T265-A269 PolarHBondContact O-N 3.45Å; T265-A269 VanDerWaalsContact O-N 3.15Å |
| 266 | C | 95.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -42.6 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | H262 M263 M268 A269 I270 | H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3Å; H262-C266 VanDerWaalsContact O-SG 3.34Å; M263-C266 HydrophobicContact CE-CB 4.32Å; M263-C266 PolarHBondContact O-N 3.13Å; M263-C266 HydrophobicContact SD-CB 4.02Å; C266-M268 VanDerWaalsContact C-N 3.33Å; C266-A269 WeakPolarHBondContact O-CB 3.49Å; C266-A269 PolarHBondContact O-N 3.23Å; C266-A269 VanDerWaalsContact O-N 3.15Å; C266-I270 PolarHBondContact O-N 3.31Å |
| 267 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.9 | -33.6 | 177.7 | -166.6 | 60.8 | 0 | 0 | 0 | 111.6 | L253 L257 M263 A269 I270 V271 L287 I291 F312 | L253-L267 HydrophobicContact CB-CD1 3.83Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.09Å; L253-L267 HydrophobicContact CG-CD1 4.11Å; L257-L267 HydrophobicContact CB-CD2 4.25Å; L257-L267 HydrophobicContact CD2-CD2 3.88Å; M263-L267 HydrophobicContact CE-CB 4.5Å; M263-L267 WeakPolarHBondContact O-CA 3.44Å; M263-L267 WeakPolarHBondContact O-CB 3.47Å; M263-L267 PolarHBondContact O-N 3.34Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.19Å; L267-I270 HydrophobicContact CD1-CB 4.26Å; L267-I270 HydrophobicContact CD1-CD1 3.95Å; L267-I270 HydrophobicContact CD1-CG2 4.45Å; L267-I270 WeakPolarHBondContact O-CB 3.47Å; L267-I270 PolarHBondContact O-N 3.45Å; L267-V271 WeakPolarHBondContact O-CG2 3.49Å; L267-V271 PolarHBondContact O-N 3.44Å; L267-L287 HydrophobicContact CD1-CD2 3.88Å; L267-L287 HydrophobicContact CD2-CD2 4.32Å; L267-L287 HydrophobicContact CG-CD2 4.26Å; L267-I291 HydrophobicContact CD2-CD1 4.09Å; L267-F312 HydrophobicContact CB-CD2 4.17Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.32Å; L267-F312 HydrophobicContact CD2-CD1 4.42Å; L267-F312 HydrophobicContact CD2-CD2 4.19Å; L267-F312 HydrophobicContact CD2-CE1 3.94Å; L267-F312 HydrophobicContact CD2-CE2 3.69Å; L267-F312 HydrophobicContact CD2-CZ 3.53Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.56Å; L267-F312 HydrophobicContact CG-CZ 3.66Å |
| 268 | M | 96.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.054 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 170 | -80.2 | -57.3 | -56.9 | 0 | 0 | 112.4 | V264 T265 C266 V271 R272 F312 E315 V316 Y320 | V264-M268 WeakPolarHBondContact O-CB 3.36Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.3Å; V264-M268 PolarHBondContact O-N 3.43Å; V264-M268 VanDerWaalsContact O-N 3.14Å; T265-M268 PolarHBondContact O-N 3Å; C266-M268 VanDerWaalsContact C-N 3.33Å; M268-V271 PolarHBondContact O-N 3.1Å; M268-R272 WeakPolarHBondContact O-CB 3.02Å; M268-R272 PolarHBondContact O-N 3.34Å; M268-F312 HydrophobicContact CG-CD2 3.94Å; M268-F312 HydrophobicContact CG-CE2 3.93Å; M268-F312 HydrophobicContact SD-CD2 4.03Å; M268-F312 HydrophobicContact SD-CE2 3.71Å; M268-E315 HydrophobicContact CE-CG 4.01Å; M268-E315 HydrophobicContact CG-CB 4.11Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.07Å; M268-E315 HydrophobicContact SD-CG 4.04Å; M268-V316 HydrophobicContact CE-CG2 4.4Å; M268-V316 HydrophobicContact SD-CB 4.32Å; M268-V316 HydrophobicContact SD-CG2 3.4Å; M268-V316 WeakPolarHBondContact SD-CG2 3.27Å; M268-Y320 HydrophobicContact CE-CE2 4.49Å |
| 269 | A | 95.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 T265 C266 L267 R272 S273 | I233-A269 HydrophobicContact CD1-CB 4.23Å; T265-A269 PolarHBondContact O-N 3.45Å; T265-A269 VanDerWaalsContact O-N 3.15Å; C266-A269 WeakPolarHBondContact O-CB 3.49Å; C266-A269 PolarHBondContact O-N 3.23Å; C266-A269 VanDerWaalsContact O-N 3.15Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.19Å; A269-R272 PolarHBondContact O-N 2.78Å; A269-S273 PolarHBondContact O-N 3.34Å |
| 270 | I | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -50.2 | 173.2 | -66.5 | 164 | 0 | 0 | 0 | 110.2 | L217 I233 L253 C266 L267 R272 S273 F274 | L217-I270 HydrophobicContact CD1-CD1 4.35Å; I233-I270 HydrophobicContact CD1-CG1 4.25Å; I233-I270 HydrophobicContact CG1-CB 4.46Å; I233-I270 HydrophobicContact CG1-CG1 3.67Å; L253-I270 HydrophobicContact CD1-CD1 4.42Å; L253-I270 HydrophobicContact CD1-CG2 4.22Å; L253-I270 HydrophobicContact CD2-CD1 3.82Å; C266-I270 PolarHBondContact O-N 3.31Å; L267-I270 HydrophobicContact CD1-CB 4.26Å; L267-I270 HydrophobicContact CD1-CD1 3.95Å; L267-I270 HydrophobicContact CD1-CG2 4.45Å; L267-I270 WeakPolarHBondContact O-CB 3.47Å; L267-I270 PolarHBondContact O-N 3.45Å; I270-R272 PolarHBondContact O-N 3.15Å; I270-S273 PolarHBondContact O-N 3.02Å; I270-F274 HydrophobicContact CG2-CD1 4.14Å; I270-F274 HydrophobicContact CG2-CD2 4.2Å; I270-F274 HydrophobicContact CG2-CE1 3.96Å; I270-F274 HydrophobicContact CG2-CE2 4.02Å; I270-F274 HydrophobicContact CG2-CG 4.27Å; I270-F274 HydrophobicContact CG2-CZ 3.9Å; I270-F274 WeakPolarHBondContact O-CB 3.37Å; I270-F274 WeakPolarHBondContact O-CD1 3.16Å; I270-F274 WeakPolarHBondContact O-CG 3.37Å; I270-F274 PolarHBondContact O-N 2.94Å |
| 271 | V | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.9 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | L267 M268 S273 F274 I275 V284 L287 F312 Y320 | L267-V271 WeakPolarHBondContact O-CG2 3.49Å; L267-V271 PolarHBondContact O-N 3.44Å; M268-V271 PolarHBondContact O-N 3.1Å; V271-S273 PolarHBondContact O-N 3.26Å; V271-F274 PolarHBondContact O-N 2.84Å; V271-I275 HydrophobicContact CG1-CD1 3.74Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CG1 3.4Å; V271-I275 PolarHBondContact O-N 2.7Å; V271-V284 HydrophobicContact CG1-CG1 3.8Å; V271-V284 HydrophobicContact CG1-CG2 4.48Å; V271-V284 HydrophobicContact CG2-CG1 4.15Å; V271-L287 HydrophobicContact CG2-CD2 4.1Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.96Å; V271-Y320 HydrophobicContact CG1-CD2 4.34Å; V271-Y320 HydrophobicContact CG1-CE2 4.06Å |
| 272 | R | 96.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -52.8 | 177.5 | 179.7 | 174.8 | -65.5 | 134.7 | 1.3 | 111.4 | M268 A269 I270 F274 I275 E276 Y320 | M268-R272 WeakPolarHBondContact O-CB 3.02Å; M268-R272 PolarHBondContact O-N 3.34Å; A269-R272 PolarHBondContact O-N 2.78Å; I270-R272 PolarHBondContact O-N 3.15Å; R272-F274 VanDerWaalsContact C-N 3.32Å; R272-F274 PolarHBondContact O-N 3.35Å; R272-I275 PolarHBondContact O-N 2.81Å; R272-E276 HydrophobicContact CG-CG 4.42Å; R272-E276 VanDerWaalsContact CG-OE2 3.31Å; R272-E276 WeakPolarHBondContact CG-OE2 3.13Å; R272-E276 WeakPolarHBondContact O-CB 3.32Å; R272-E276 PolarHBondContact O-N 2.84Å; R272-Y320 WeakPolarHBondContact CA-OH 3.4Å; R272-Y320 WeakPolarHBondContact CG-OH 3.4Å |
| 273 | S | 94.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 179.7 | -169 | 0 | 0 | 0 | 0 | 112 | I233 A269 I270 V271 I275 D277 E278 | I233-S273 WeakPolarHBondContact CG2-OG 3.37Å; A269-S273 PolarHBondContact O-N 3.34Å; I270-S273 PolarHBondContact O-N 3.02Å; V271-S273 PolarHBondContact O-N 3.26Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.42Å; S273-D277 WeakPolarHBondContact CA-OD2 3.21Å; S273-D277 WeakPolarHBondContact CB-OD2 3.4Å; S273-D277 WeakPolarHBondContact O-CA 3.46Å; S273-D277 WeakPolarHBondContact O-CB 3.48Å; S273-D277 PolarHBondContact O-N 2.71Å; S273-D277 PolarHBondContact OG-OD2 2.98Å; S273-E278 PolarHBondContact O-N 3.4Å |
| 274 | F | 96.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 176.5 | -82.2 | 20.5 | 0 | 0 | 0 | 112.4 | L236 A237 I270 V271 R272 K279 L280 V283 V284 | L236-F274 HydrophobicContact CB-CZ 4.27Å; A237-F274 HydrophobicContact CB-CD1 4.49Å; A237-F274 HydrophobicContact CB-CE1 3.91Å; I270-F274 HydrophobicContact CG2-CD1 4.14Å; I270-F274 HydrophobicContact CG2-CD2 4.2Å; I270-F274 HydrophobicContact CG2-CE1 3.96Å; I270-F274 HydrophobicContact CG2-CE2 4.02Å; I270-F274 HydrophobicContact CG2-CG 4.27Å; I270-F274 HydrophobicContact CG2-CZ 3.9Å; I270-F274 WeakPolarHBondContact O-CB 3.37Å; I270-F274 WeakPolarHBondContact O-CD1 3.16Å; I270-F274 WeakPolarHBondContact O-CG 3.37Å; I270-F274 PolarHBondContact O-N 2.94Å; V271-F274 PolarHBondContact O-N 2.84Å; R272-F274 VanDerWaalsContact C-N 3.32Å; R272-F274 PolarHBondContact O-N 3.35Å; F274-K279 CarbonylContact O-C 3.55Å; F274-K279 PolarHBondContact O-N 3.29Å; F274-K279 VanDerWaalsContact O-N 3.09Å; F274-L280 HydrophobicContact CB-CB 4.3Å; F274-L280 HydrophobicContact CD1-CD1 4.45Å; F274-L280 HydrophobicContact CD2-CD1 4.46Å; F274-L280 HydrophobicContact CG-CB 4.48Å; F274-L280 HydrophobicContact CG-CD1 4.37Å; F274-L280 PolarHBondContact O-N 3.09Å; F274-V283 HydrophobicContact CD2-CG1 4.37Å; F274-V283 HydrophobicContact CE2-CG1 4.24Å; F274-V284 HydrophobicContact CB-CG2 3.69Å; F274-V284 HydrophobicContact CD2-CG2 4.29Å |
| 275 | I | 94.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.9 | -53 | 177.8 | -66.3 | 174.2 | 0 | 0 | 0 | 111.1 | V271 R272 S273 I281 V284 Y320 L323 | V271-I275 HydrophobicContact CG1-CD1 3.74Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CG1 3.4Å; V271-I275 PolarHBondContact O-N 2.7Å; R272-I275 PolarHBondContact O-N 2.81Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.42Å; I275-I281 HydrophobicContact CG2-CG1 4.38Å; I275-V284 HydrophobicContact CD1-CG1 4.29Å; I275-V284 HydrophobicContact CG1-CG2 3.99Å; I275-Y320 HydrophobicContact CD1-CD1 4.12Å; I275-Y320 HydrophobicContact CD1-CD2 3.88Å; I275-Y320 HydrophobicContact CD1-CE1 4.12Å; I275-Y320 HydrophobicContact CD1-CE2 3.88Å; I275-Y320 HydrophobicContact CD1-CG 4.01Å; I275-Y320 HydrophobicContact CG2-CE1 4.23Å; I275-L323 HydrophobicContact CD1-CD2 3.89Å |
| 276 | E | 93.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -83.9 | -46.9 | -166.1 | -66.3 | 172.1 | -165.4 | 0 | 0 | 112.4 | R272 Y320 | R272-E276 HydrophobicContact CG-CG 4.42Å; R272-E276 VanDerWaalsContact CG-OE2 3.31Å; R272-E276 WeakPolarHBondContact CG-OE2 3.13Å; R272-E276 WeakPolarHBondContact O-CB 3.32Å; R272-E276 PolarHBondContact O-N 2.84Å; E276-Y320 PolarHBondContact OE1-OH 2.89Å |
| 277 | D | 92.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 48.4 Ų | 48.4 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -46.9 | -175.3 | -53.8 | -43.4 | 0 | 0 | 0 | 111.3 | S273 | S273-D277 WeakPolarHBondContact CA-OD2 3.21Å; S273-D277 WeakPolarHBondContact CB-OD2 3.4Å; S273-D277 WeakPolarHBondContact O-CA 3.46Å; S273-D277 WeakPolarHBondContact O-CB 3.48Å; S273-D277 PolarHBondContact O-N 2.71Å; S273-D277 PolarHBondContact OG-OD2 2.98Å |
| 278 | E | 90.8 | Very high | 94 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -99.6 | -11.9 | -165.6 | -61 | -67.2 | 164.3 | 0 | 0 | 113.6 | A237 R241 S273 L280 | A237-E278 HydrophobicContact CB-CB 4.5Å; A237-E278 HydrophobicContact CB-CG 3.74Å; R241-E278 IonicContact CZ-OE2 2.77Å; R241-E278 IonicContact NH1-OE2 2.64Å; R241-E278 PolarHBondContact NH1-OE2 3.44Å; R241-E278 PolarHBondContact NH2-O 2.92Å; R241-E278 IonicContact NH2-OE2 3.4Å; R241-E278 PolarHBondContact NH2-OE2 2.73Å; S273-E278 PolarHBondContact O-N 3.4Å; E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 HydrophobicContact CB-CD1 3.98Å; E278-L280 HydrophobicContact CB-CG 3.97Å; E278-L280 PolarHBondContact O-N 2.8Å |
| 279 | K | 91.4 | Very high | 93.8 | Very high | 175 Ų | 175 | 53.9 Ų | 53.9 | 76% | 0.761 | 26% | 0.26 | S | S | * | . | trans | 56.1 | 31.8 | -179.6 | -55.3 | -178.4 | -178.6 | 179.1 | 0 | 114.7 | F274 I281 | F274-K279 CarbonylContact O-C 3.55Å; F274-K279 PolarHBondContact O-N 3.29Å; F274-K279 VanDerWaalsContact O-N 3.09Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.39Å | ||
| 280 | L | 92.2 | Very high | 93.8 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | trans | -91.3 | 46 | -179.6 | -61.7 | 176.5 | 0 | 0 | 0 | 112.8 | A237 V240 F274 E278 S282 V283 V284 | A237-L280 HydrophobicContact CB-CD1 4.4Å; V240-L280 HydrophobicContact CG1-CD1 4.17Å; F274-L280 HydrophobicContact CB-CB 4.3Å; F274-L280 HydrophobicContact CD1-CD1 4.45Å; F274-L280 HydrophobicContact CD2-CD1 4.46Å; F274-L280 HydrophobicContact CG-CB 4.48Å; F274-L280 HydrophobicContact CG-CD1 4.37Å; F274-L280 PolarHBondContact O-N 3.09Å; E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 HydrophobicContact CB-CD1 3.98Å; E278-L280 HydrophobicContact CB-CG 3.97Å; E278-L280 PolarHBondContact O-N 2.8Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 3.26Å; L280-V283 HydrophobicContact CB-CB 4.21Å; L280-V283 HydrophobicContact CB-CG2 4.12Å; L280-V283 HydrophobicContact CD2-CG2 4.48Å; L280-V283 WeakPolarHBondContact O-CB 3.4Å; L280-V283 PolarHBondContact O-N 3.12Å; L280-V283 VanDerWaalsContact O-N 3.1Å; L280-V284 PolarHBondContact O-N 3.4Å | ||
| 281 | I | 91.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | -175.4 | -60 | 169.7 | 0 | 0 | 0 | 112.2 | I275 K279 V283 V284 R285 | I275-I281 HydrophobicContact CG2-CG1 4.38Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.39Å; I281-V283 VanDerWaalsContact C-N 3.3Å; I281-V283 PolarHBondContact O-N 3.36Å; I281-V284 PolarHBondContact O-N 3.09Å; I281-R285 WeakPolarHBondContact O-CG 3.41Å; I281-R285 PolarHBondContact O-N 3.42Å |
| 282 | S | 90.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 56 Ų | 56 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.1 | -38.2 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | L280 R285 E286 | L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 3.26Å; S282-R285 PolarHBondContact O-N 3.16Å; S282-E286 PolarHBondContact O-N 3.4Å |
| 283 | V | 93 | Very high | 92.9 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | V240 F274 L280 I281 R285 E286 L287 | V240-V283 HydrophobicContact CG1-CG1 4.16Å; V240-V283 HydrophobicContact CG1-CG2 3.73Å; F274-V283 HydrophobicContact CD2-CG1 4.37Å; F274-V283 HydrophobicContact CE2-CG1 4.24Å; L280-V283 HydrophobicContact CB-CB 4.21Å; L280-V283 HydrophobicContact CB-CG2 4.12Å; L280-V283 HydrophobicContact CD2-CG2 4.48Å; L280-V283 WeakPolarHBondContact O-CB 3.4Å; L280-V283 PolarHBondContact O-N 3.12Å; L280-V283 VanDerWaalsContact O-N 3.1Å; I281-V283 VanDerWaalsContact C-N 3.3Å; I281-V283 PolarHBondContact O-N 3.36Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.48Å; V283-E286 WeakPolarHBondContact O-CB 3.43Å; V283-E286 PolarHBondContact O-N 3.3Å; V283-E286 VanDerWaalsContact O-N 3.15Å; V283-L287 PolarHBondContact O-N 3.16Å |
| 284 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | V271 F274 I275 L280 I281 E286 L287 L288 L323 | V271-V284 HydrophobicContact CG1-CG1 3.8Å; V271-V284 HydrophobicContact CG1-CG2 4.48Å; V271-V284 HydrophobicContact CG2-CG1 4.15Å; F274-V284 HydrophobicContact CB-CG2 3.69Å; F274-V284 HydrophobicContact CD2-CG2 4.29Å; I275-V284 HydrophobicContact CD1-CG1 4.29Å; I275-V284 HydrophobicContact CG1-CG2 3.99Å; L280-V284 PolarHBondContact O-N 3.4Å; I281-V284 PolarHBondContact O-N 3.09Å; V284-E286 VanDerWaalsContact C-N 3.29Å; V284-E286 PolarHBondContact O-N 3.45Å; V284-L287 PolarHBondContact O-N 2.65Å; V284-L288 HydrophobicContact CG1-CD1 4.11Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 2.83Å; V284-L323 HydrophobicContact CG1-CD2 3.75Å |
| 285 | R | 92.7 | Very high | 92 | Very high | 121 Ų | 121 | 59.3 Ų | 59.3 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -36 | 173.4 | -72.2 | 179.5 | -179.1 | -163.1 | 0.4 | 112.3 | I281 S282 V283 K289 L323 | I281-R285 WeakPolarHBondContact O-CG 3.41Å; I281-R285 PolarHBondContact O-N 3.42Å; S282-R285 PolarHBondContact O-N 3.16Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.48Å; R285-K289 WeakPolarHBondContact O-CB 3.48Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.44Å; R285-K289 PolarHBondContact O-N 3.2Å; R285-L323 HydrophobicContact CG-CD1 3.63Å |
| 286 | E | 92.5 | Very high | 91.1 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 174.4 | -168.9 | 179.1 | 176.9 | 0 | 0 | 111.4 | S246 I247 S282 V283 V284 L288 K289 E290 | S246-E286 PolarHBondContact OG-OE2 3.02Å; I247-E286 WeakPolarHBondContact CA-OE1 3.43Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.15Å; S282-E286 PolarHBondContact O-N 3.4Å; V283-E286 WeakPolarHBondContact O-CB 3.43Å; V283-E286 PolarHBondContact O-N 3.3Å; V283-E286 VanDerWaalsContact O-N 3.15Å; V284-E286 VanDerWaalsContact C-N 3.29Å; V284-E286 PolarHBondContact O-N 3.45Å; E286-L288 PolarHBondContact O-N 3.03Å; E286-K289 WeakPolarHBondContact O-CB 3.39Å; E286-K289 PolarHBondContact O-N 2.69Å; E286-E290 PolarHBondContact O-N 2.71Å |
| 287 | L | 96.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 173.6 | 172 | 64.7 | 0 | 0 | 0 | 112.3 | S250 L253 L267 V271 V283 V284 K289 E290 I291 | S250-L287 WeakPolarHBondContact O-CD1 3.33Å; L253-L287 HydrophobicContact CB-CD1 3.84Å; L253-L287 HydrophobicContact CD1-CD2 4.47Å; L267-L287 HydrophobicContact CD1-CD2 3.88Å; L267-L287 HydrophobicContact CD2-CD2 4.32Å; L267-L287 HydrophobicContact CG-CD2 4.26Å; V271-L287 HydrophobicContact CG2-CD2 4.1Å; V283-L287 PolarHBondContact O-N 3.16Å; V284-L287 PolarHBondContact O-N 2.65Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-E290 WeakPolarHBondContact O-CB 3.28Å; L287-E290 PolarHBondContact O-N 3.36Å; L287-I291 HydrophobicContact CD1-CD1 3.99Å; L287-I291 HydrophobicContact CD1-CG1 4.36Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 3Å |
| 288 | L | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 178.6 | -68.9 | 171.5 | 0 | 0 | 0 | 111.9 | V284 E286 E290 I291 C292 F312 L313 V316 L323 I327 | V284-L288 HydrophobicContact CG1-CD1 4.11Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 2.83Å; E286-L288 PolarHBondContact O-N 3.03Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-I291 PolarHBondContact O-N 3.48Å; L288-C292 WeakPolarHBondContact O-CB 3.22Å; L288-C292 PolarHBondContact O-N 3.18Å; L288-C292 PolarHBondContact O-SG 3.48Å; L288-F312 HydrophobicContact CD2-CE1 3.82Å; L288-F312 HydrophobicContact CD2-CZ 4.49Å; L288-L313 HydrophobicContact CD2-CD2 4.12Å; L288-V316 HydrophobicContact CD1-CG1 4.11Å; L288-V316 HydrophobicContact CD2-CG1 4.27Å; L288-V316 HydrophobicContact CD2-CG2 4.27Å; L288-L323 HydrophobicContact CD1-CD1 4.16Å; L288-L323 HydrophobicContact CD1-CD2 3.68Å; L288-L323 HydrophobicContact CD1-CG 3.75Å; L288-I327 HydrophobicContact CB-CG2 3.88Å; L288-I327 HydrophobicContact CD1-CD1 4.43Å; L288-I327 HydrophobicContact CD1-CG2 3.98Å |
| 289 | K | 92.5 | Very high | 89.2 | Confident | 127 Ų | 127 | 52.4 Ų | 52.4 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 172.4 | -80.2 | 171.4 | 178.7 | -173.9 | 0 | 111.5 | R285 E286 L287 C292 S293 L330 | R285-K289 WeakPolarHBondContact O-CB 3.48Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.44Å; R285-K289 PolarHBondContact O-N 3.2Å; E286-K289 WeakPolarHBondContact O-CB 3.39Å; E286-K289 PolarHBondContact O-N 2.69Å; L287-K289 VanDerWaalsContact C-N 3.34Å; K289-C292 CarbonylContact O-C 3.42Å; K289-C292 PolarHBondContact O-N 3.07Å; K289-S293 WeakPolarHBondContact O-CB 3.4Å; K289-S293 PolarHBondContact O-N 3.36Å; K289-L330 HydrophobicContact CB-CD1 4.45Å; K289-L330 HydrophobicContact CG-CD1 3.6Å |
| 290 | E | 94.5 | Very high | 88.4 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.4 | -175.8 | 59.7 | -163.6 | 0 | 0 | 111.2 | V251 A254 E286 L287 L288 C292 S293 Y294 | V251-E290 HydrophobicContact CG2-CG 4.35Å; A254-E290 HydrophobicContact CB-CG 3.91Å; E286-E290 PolarHBondContact O-N 2.71Å; L287-E290 WeakPolarHBondContact O-CB 3.28Å; L287-E290 PolarHBondContact O-N 3.36Å; L288-E290 VanDerWaalsContact C-N 3.31Å; E290-C292 VanDerWaalsContact C-N 3.29Å; E290-C292 PolarHBondContact O-N 3.23Å; E290-S293 WeakPolarHBondContact O-CB 3.46Å; E290-S293 PolarHBondContact O-N 3.12Å; E290-S293 VanDerWaalsContact O-N 3.08Å; E290-S293 PolarHBondContact O-OG 3.33Å; E290-Y294 WeakPolarHBondContact O-CD2 3.32Å |
| 291 | I | 92.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175 | -69.8 | 166.8 | 0 | 0 | 0 | 111.3 | A254 L257 L267 L287 L288 S293 F309 F312 L313 | A254-I291 HydrophobicContact CB-CG1 3.94Å; L257-I291 HydrophobicContact CD2-CD1 3.91Å; L257-I291 HydrophobicContact CD2-CG1 4.45Å; L267-I291 HydrophobicContact CD2-CD1 4.09Å; L287-I291 HydrophobicContact CD1-CD1 3.99Å; L287-I291 HydrophobicContact CD1-CG1 4.36Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 3Å; L288-I291 PolarHBondContact O-N 3.48Å; I291-S293 PolarHBondContact O-N 2.98Å; I291-F309 HydrophobicContact CG1-CE1 4.32Å; I291-F309 HydrophobicContact CG2-CD1 3.53Å; I291-F309 HydrophobicContact CG2-CE1 3.99Å; I291-F309 HydrophobicContact CG2-CG 4.22Å; I291-F312 HydrophobicContact CD1-CD1 3.8Å; I291-F312 HydrophobicContact CD1-CE1 3.39Å; I291-F312 HydrophobicContact CD1-CZ 4.31Å; I291-L313 HydrophobicContact CG2-CD2 4.22Å; I291-L313 HydrophobicContact CG2-CG 4.42Å |
| 292 | C | 90 | Very high | 87.6 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.2 | -13.7 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | L288 K289 E290 L330 L331 R334 | L288-C292 WeakPolarHBondContact O-CB 3.22Å; L288-C292 PolarHBondContact O-N 3.18Å; L288-C292 PolarHBondContact O-SG 3.48Å; K289-C292 CarbonylContact O-C 3.42Å; K289-C292 PolarHBondContact O-N 3.07Å; E290-C292 VanDerWaalsContact C-N 3.29Å; E290-C292 PolarHBondContact O-N 3.23Å; C292-L330 HydrophobicContact CB-CB 4.18Å; C292-L331 HydrophobicContact CB-CD2 4.38Å; C292-L331 VanDerWaalsContact SG-CD2 3.59Å; C292-R334 PolarHBondContact O-NH2 3.41Å |
| 293 | S | 88.7 | Confident | 87.4 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -82.8 | -15.4 | -177.3 | 81.1 | 0 | 0 | 0 | 0 | 113.4 | K289 E290 I291 N295 | K289-S293 WeakPolarHBondContact O-CB 3.4Å; K289-S293 PolarHBondContact O-N 3.36Å; E290-S293 WeakPolarHBondContact O-CB 3.46Å; E290-S293 PolarHBondContact O-N 3.12Å; E290-S293 VanDerWaalsContact O-N 3.08Å; E290-S293 PolarHBondContact O-OG 3.33Å; I291-S293 PolarHBondContact O-N 2.98Å; S293-N295 PolarHBondContact O-N 2.99Å |
| 294 | Y | 88.4 | Confident | 87.2 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -58.7 | 128.1 | -180 | -85.6 | -113.7 | 0 | 0 | 0 | 111.4 | A254 Q255 Q258 E290 G296 L299 F309 R334 | A254-Y294 HydrophobicContact CB-CE2 3.87Å; Q255-Y294 PolarHBondContact N-OH 2.91Å; Q258-Y294 HydrophobicContact CB-CE1 4.46Å; Q258-Y294 HydrophobicContact CG-CE1 4.36Å; E290-Y294 WeakPolarHBondContact O-CD2 3.32Å; Y294-G296 PolarHBondContact O-N 2.84Å; Y294-L299 HydrophobicContact CD1-CD2 4.24Å; Y294-F309 AromaticContact CD1-CE2 3.88Å; Y294-F309 HydrophobicContact CD1-CE2 3.88Å; Y294-F309 AromaticContact CD1-CZ 3.96Å; Y294-F309 HydrophobicContact CD1-CZ 3.96Å; Y294-F309 HydrophobicContact CD2-CZ 4.35Å; Y294-F309 HydrophobicContact CE1-CE2 4.29Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.39Å; Y294-F309 HydrophobicContact CG-CE2 4.14Å; Y294-F309 HydrophobicContact CG-CZ 4.16Å; Y294-R334 PolarHBondContact O-NH1 3.36Å; Y294-R334 PolarHBondContact O-NH2 3.4Å |
| 295 | N | 82.9 | Confident | 87 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | trans | -61.7 | 130.4 | -175.6 | -179.6 | 18 | 0 | 0 | 0 | 111.9 | S293 A297 D298 L299 | S293-N295 PolarHBondContact O-N 2.99Å; N295-A297 VanDerWaalsContact C-N 3.32Å; N295-A297 PolarHBondContact O-N 3.26Å; N295-A297 PolarHBondContact OD1-N 3.42Å; N295-D298 HydrophobicContact CB-CB 4.34Å; N295-D298 WeakPolarHBondContact CB-OD2 3.27Å; N295-D298 PolarHBondContact ND2-OD2 3.26Å; N295-D298 PolarHBondContact O-N 2.92Å; N295-D298 VanDerWaalsContact O-N 3.12Å; N295-L299 PolarHBondContact O-N 2.9Å; N295-L299 VanDerWaalsContact O-N 3.16Å | ||
| 296 | G | 76.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -47.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y294 D298 L299 E300 E337 | Y294-G296 PolarHBondContact O-N 2.84Å; G296-D298 PolarHBondContact O-N 3.19Å; G296-D298 VanDerWaalsContact O-N 3.16Å; G296-L299 WeakPolarHBondContact O-CB 3.44Å; G296-L299 PolarHBondContact O-N 3.48Å; G296-E300 WeakPolarHBondContact O-CG 3.37Å; G296-E300 PolarHBondContact O-N 3.38Å; G296-E337 WeakPolarHBondContact CA-OE1 3.47Å |
| 297 | A | 78 | Confident | 86.7 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.9 | -31.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | N295 | N295-A297 VanDerWaalsContact C-N 3.32Å; N295-A297 PolarHBondContact O-N 3.26Å; N295-A297 PolarHBondContact OD1-N 3.42Å |
| 298 | D | 80.6 | Confident | 86.6 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -81.4 | -35.7 | 178.4 | -65.7 | -43.6 | 0 | 0 | 0 | 111.1 | N295 G296 E300 R301 D302 | N295-D298 HydrophobicContact CB-CB 4.34Å; N295-D298 WeakPolarHBondContact CB-OD2 3.27Å; N295-D298 PolarHBondContact ND2-OD2 3.26Å; N295-D298 PolarHBondContact O-N 2.92Å; N295-D298 VanDerWaalsContact O-N 3.12Å; G296-D298 PolarHBondContact O-N 3.19Å; G296-D298 VanDerWaalsContact O-N 3.16Å; D298-E300 VanDerWaalsContact C-N 3.29Å; D298-E300 PolarHBondContact O-N 2.99Å; D298-R301 PolarHBondContact O-N 2.9Å; D298-D302 PolarHBondContact O-N 3.28Å |
| 299 | L | 79.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -31.8 | 173.6 | -64.7 | -178.9 | 0 | 0 | 0 | 112.2 | Y294 N295 G296 R301 D302 A305 S306 F309 M342 | Y294-L299 HydrophobicContact CD1-CD2 4.24Å; N295-L299 PolarHBondContact O-N 2.9Å; N295-L299 VanDerWaalsContact O-N 3.16Å; G296-L299 WeakPolarHBondContact O-CB 3.44Å; G296-L299 PolarHBondContact O-N 3.48Å; L299-R301 VanDerWaalsContact C-N 3.28Å; L299-R301 PolarHBondContact O-N 3.31Å; L299-D302 CarbonylContact O-C 3.14Å; L299-D302 PolarHBondContact O-N 3.01Å; L299-D302 VanDerWaalsContact O-N 3.09Å; L299-A305 HydrophobicContact CD2-CB 4.11Å; L299-S306 VanDerWaalsContact C-OG 3.26Å; L299-S306 WeakPolarHBondContact CB-OG 3.36Å; L299-S306 PolarHBondContact O-OG 2.96Å; L299-F309 HydrophobicContact CD1-CD2 4.18Å; L299-F309 HydrophobicContact CD2-CD2 3.55Å; L299-F309 HydrophobicContact CD2-CE2 3.44Å; L299-F309 VanDerWaalsContact CD2-CE2 3.44Å; L299-M342 HydrophobicContact CD1-CE 4.42Å |
| 300 | E | 73.7 | Confident | 86.5 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 176.9 | -28.7 | -173.6 | 147.4 | 0 | 0 | 111.9 | G296 D298 D302 P339 | G296-E300 WeakPolarHBondContact O-CG 3.37Å; G296-E300 PolarHBondContact O-N 3.38Å; D298-E300 VanDerWaalsContact C-N 3.29Å; D298-E300 PolarHBondContact O-N 2.99Å; E300-D302 PolarHBondContact O-N 3.26Å; E300-P339 HydrophobicContact CB-CG 3.88Å; E300-P339 HydrophobicContact CG-CG 3.45Å; E300-P339 VanDerWaalsContact CG-CG 3.45Å; E300-P339 WeakPolarHBondContact OE1-CD 3.49Å; E300-P339 WeakPolarHBondContact OE1-CG 3.35Å |
| 301 | R | 82.4 | Confident | 86.4 | Confident | 220 Ų | 220 | 50.8 Ų | 50.8 | 83% | 0.83 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -71.6 | -20.4 | 176.8 | -65.3 | 179.2 | 176.7 | -178 | -0.2 | 112.2 | D298 L299 | D298-R301 PolarHBondContact O-N 2.9Å; L299-R301 VanDerWaalsContact C-N 3.28Å; L299-R301 PolarHBondContact O-N 3.31Å |
| 302 | D | 84.7 | Confident | 86.6 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -119.6 | 81.3 | -178.8 | -169.9 | -14 | 0 | 0 | 0 | 110.9 | D298 L299 E300 Q304 A305 S306 | D298-D302 PolarHBondContact O-N 3.28Å; L299-D302 CarbonylContact O-C 3.14Å; L299-D302 PolarHBondContact O-N 3.01Å; L299-D302 VanDerWaalsContact O-N 3.09Å; E300-D302 PolarHBondContact O-N 3.26Å; D302-Q304 PolarHBondContact O-N 3.28Å; D302-Q304 VanDerWaalsContact O-N 3.12Å; D302-Q304 PolarHBondContact OD1-N 3.42Å; D302-A305 HydrophobicContact CB-CB 3.9Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 PolarHBondContact OD1-N 3.14Å; D302-A305 WeakPolarHBondContact OD2-CB 3.36Å; D302-S306 PolarHBondContact O-N 3.48Å; D302-S306 PolarHBondContact O-OG 3.23Å | ||
| 303 | S | 86.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.9 | -29 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | Q307 | S303-Q307 WeakPolarHBondContact O-CB 3.44Å; S303-Q307 PolarHBondContact O-N 3.28Å |
| 304 | Q | 89.6 | Confident | 87.1 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.5 | -47.2 | 179.5 | -175.4 | 63.3 | 64.6 | 0 | 0 | 110.5 | P261 D302 S306 Q307 N308 | P261-Q304 HydrophobicContact CG-CG 4.3Å; D302-Q304 PolarHBondContact O-N 3.28Å; D302-Q304 VanDerWaalsContact O-N 3.12Å; D302-Q304 PolarHBondContact OD1-N 3.42Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3.44Å; Q304-Q307 PolarHBondContact O-N 3.15Å; Q304-N308 PolarHBondContact NE2-OD1 3.45Å; Q304-N308 WeakPolarHBondContact O-CB 3.37Å; Q304-N308 PolarHBondContact O-N 3.07Å; Q304-N308 PolarHBondContact O-ND2 3.1Å; Q304-N308 PolarHBondContact O-OD1 3.26Å |
| 305 | A | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | 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 4.11Å; D302-A305 HydrophobicContact CB-CB 3.9Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 PolarHBondContact OD1-N 3.14Å; D302-A305 WeakPolarHBondContact OD2-CB 3.36Å; A305-Q307 VanDerWaalsContact C-N 3.33Å; A305-Q307 PolarHBondContact O-N 2.91Å; A305-N308 PolarHBondContact O-N 3.49Å; A305-F309 HydrophobicContact CB-CD2 4.41Å; A305-F309 HydrophobicContact CB-CE2 4.16Å; A305-F309 WeakPolarHBondContact O-CD2 3.31Å; A305-F309 WeakPolarHBondContact O-CG 3Å; A305-F309 PolarHBondContact O-N 3.25Å |
| 306 | S | 88.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.8 | -47.8 | 174.9 | -76 | 0 | 0 | 0 | 0 | 112.3 | L299 D302 Q304 S310 | L299-S306 VanDerWaalsContact C-OG 3.26Å; L299-S306 WeakPolarHBondContact CB-OG 3.36Å; L299-S306 PolarHBondContact O-OG 2.96Å; D302-S306 PolarHBondContact O-N 3.48Å; D302-S306 PolarHBondContact O-OG 3.23Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3.44Å; S306-S310 WeakPolarHBondContact O-CB 3.31Å; S306-S310 PolarHBondContact O-N 3.21Å |
| 307 | Q | 90.4 | Very high | 89 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 179.1 | -170 | 64.9 | 46.5 | 0 | 0 | 112.1 | S303 Q304 A305 S310 N311 | S303-Q307 WeakPolarHBondContact O-CB 3.44Å; S303-Q307 PolarHBondContact O-N 3.28Å; Q304-Q307 PolarHBondContact O-N 3.15Å; A305-Q307 VanDerWaalsContact C-N 3.33Å; A305-Q307 PolarHBondContact O-N 2.91Å; Q307-S310 PolarHBondContact O-N 2.83Å; Q307-N311 PolarHBondContact NE2-ND2 2.93Å; Q307-N311 PolarHBondContact NE2-OD1 3.31Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.34Å; Q307-N311 PolarHBondContact O-N 3.49Å; Q307-N311 PolarHBondContact O-ND2 3.27Å |
| 308 | N | 94.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 179 | -65.8 | -12.2 | 0 | 0 | 0 | 111.1 | L257 Q258 P261 V264 Q304 A305 N311 F312 | L257-N308 HydrophobicContact CD1-CB 4.09Å; L257-N308 HydrophobicContact CG-CB 4.42Å; L257-N308 VanDerWaalsContact O-CB 3.29Å; L257-N308 WeakPolarHBondContact O-CB 3.5Å; L257-N308 PolarHBondContact O-ND2 2.97Å; Q258-N308 PolarHBondContact O-ND2 3.41Å; P261-N308 WeakPolarHBondContact CA-OD1 3.13Å; V264-N308 HydrophobicContact CG2-CB 4.34Å; Q304-N308 PolarHBondContact NE2-OD1 3.45Å; Q304-N308 WeakPolarHBondContact O-CB 3.37Å; Q304-N308 PolarHBondContact O-N 3.07Å; Q304-N308 PolarHBondContact O-ND2 3.1Å; Q304-N308 PolarHBondContact O-OD1 3.26Å; A305-N308 PolarHBondContact O-N 3.49Å; N308-N311 PolarHBondContact O-N 2.84Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.06Å; N308-F312 PolarHBondContact O-N 3.24Å |
| 309 | F | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 176.2 | -68.4 | -45.9 | 0 | 0 | 0 | 111.5 | L257 Q258 I291 Y294 L299 A305 N311 F312 L313 | L257-F309 HydrophobicContact CB-CE1 4.07Å; L257-F309 HydrophobicContact CD2-CD1 3.46Å; L257-F309 VanDerWaalsContact CD2-CD1 3.46Å; L257-F309 HydrophobicContact CD2-CE1 3.73Å; L257-F309 HydrophobicContact CG-CD1 3.79Å; L257-F309 HydrophobicContact CG-CE1 3.82Å; Q258-F309 HydrophobicContact CB-CE2 4.24Å; Q258-F309 HydrophobicContact CB-CZ 3.79Å; Q258-F309 HydrophobicContact CG-CE2 4.24Å; Q258-F309 HydrophobicContact CG-CZ 4.27Å; I291-F309 HydrophobicContact CG1-CE1 4.32Å; I291-F309 HydrophobicContact CG2-CD1 3.53Å; I291-F309 HydrophobicContact CG2-CE1 3.99Å; I291-F309 HydrophobicContact CG2-CG 4.22Å; Y294-F309 AromaticContact CD1-CE2 3.88Å; Y294-F309 HydrophobicContact CD1-CE2 3.88Å; Y294-F309 AromaticContact CD1-CZ 3.96Å; Y294-F309 HydrophobicContact CD1-CZ 3.96Å; Y294-F309 HydrophobicContact CD2-CZ 4.35Å; Y294-F309 HydrophobicContact CE1-CE2 4.29Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.39Å; Y294-F309 HydrophobicContact CG-CE2 4.14Å; Y294-F309 HydrophobicContact CG-CZ 4.16Å; L299-F309 HydrophobicContact CD1-CD2 4.18Å; L299-F309 HydrophobicContact CD2-CD2 3.55Å; L299-F309 HydrophobicContact CD2-CE2 3.44Å; L299-F309 VanDerWaalsContact CD2-CE2 3.44Å; A305-F309 HydrophobicContact CB-CD2 4.41Å; A305-F309 HydrophobicContact CB-CE2 4.16Å; A305-F309 WeakPolarHBondContact O-CD2 3.31Å; A305-F309 WeakPolarHBondContact O-CG 3Å; A305-F309 PolarHBondContact O-N 3.25Å; F309-N311 PolarHBondContact O-N 2.87Å; F309-F312 PolarHBondContact O-N 3.4Å; F309-L313 WeakPolarHBondContact O-CB 3Å; F309-L313 VanDerWaalsContact O-CG 3.24Å; F309-L313 WeakPolarHBondContact O-CG 3.3Å; F309-L313 PolarHBondContact O-N 2.91Å |
| 310 | S | 91.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | S306 Q307 F312 L313 L314 C345 | S306-S310 WeakPolarHBondContact O-CB 3.31Å; S306-S310 PolarHBondContact O-N 3.21Å; Q307-S310 PolarHBondContact O-N 2.83Å; S310-F312 VanDerWaalsContact C-N 3.33Å; S310-F312 PolarHBondContact O-N 2.97Å; S310-L313 PolarHBondContact O-N 3.42Å; S310-L314 WeakPolarHBondContact O-CB 3.24Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.22Å; S310-L314 PolarHBondContact O-N 3.05Å; S310-C345 WeakPolarHBondContact OG-CB 3.43Å |
| 311 | N | 93.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 179.9 | -72.9 | -15.5 | 0 | 0 | 0 | 111.8 | V264 Q307 N308 F309 E315 | V264-N311 HydrophobicContact CG1-CB 4.14Å; V264-N311 HydrophobicContact CG2-CB 4.22Å; Q307-N311 PolarHBondContact NE2-ND2 2.93Å; Q307-N311 PolarHBondContact NE2-OD1 3.31Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.34Å; Q307-N311 PolarHBondContact O-N 3.49Å; Q307-N311 PolarHBondContact O-ND2 3.27Å; N308-N311 PolarHBondContact O-N 2.84Å; F309-N311 PolarHBondContact O-N 2.87Å; N311-E315 WeakPolarHBondContact O-CB 3.29Å; N311-E315 PolarHBondContact O-N 3.14Å |
| 312 | F | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 178.2 | 176.2 | -103.6 | 0 | 0 | 0 | 112.2 | L257 V264 L267 M268 V271 L288 I291 N308 F309 S310 L314 E315 V316 | L257-F312 HydrophobicContact CD1-CB 4.16Å; L257-F312 HydrophobicContact CD1-CG 4.5Å; L257-F312 HydrophobicContact CD2-CB 3.76Å; L257-F312 HydrophobicContact CD2-CD1 3.62Å; L257-F312 HydrophobicContact CD2-CD2 4.42Å; L257-F312 HydrophobicContact CD2-CE1 4.33Å; L257-F312 HydrophobicContact CD2-CG 3.66Å; V264-F312 HydrophobicContact CG1-CB 4.25Å; V264-F312 HydrophobicContact CG2-CB 4.41Å; L267-F312 HydrophobicContact CB-CD2 4.17Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.32Å; L267-F312 HydrophobicContact CD2-CD1 4.42Å; L267-F312 HydrophobicContact CD2-CD2 4.19Å; L267-F312 HydrophobicContact CD2-CE1 3.94Å; L267-F312 HydrophobicContact CD2-CE2 3.69Å; L267-F312 HydrophobicContact CD2-CZ 3.53Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.56Å; L267-F312 HydrophobicContact CG-CZ 3.66Å; M268-F312 HydrophobicContact CG-CD2 3.94Å; M268-F312 HydrophobicContact CG-CE2 3.93Å; M268-F312 HydrophobicContact SD-CD2 4.03Å; M268-F312 HydrophobicContact SD-CE2 3.71Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.96Å; L288-F312 HydrophobicContact CD2-CE1 3.82Å; L288-F312 HydrophobicContact CD2-CZ 4.49Å; I291-F312 HydrophobicContact CD1-CD1 3.8Å; I291-F312 HydrophobicContact CD1-CE1 3.39Å; I291-F312 HydrophobicContact CD1-CZ 4.31Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.06Å; N308-F312 PolarHBondContact O-N 3.24Å; F309-F312 PolarHBondContact O-N 3.4Å; S310-F312 VanDerWaalsContact C-N 3.33Å; S310-F312 PolarHBondContact O-N 2.97Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 2.88Å; F312-E315 PolarHBondContact O-N 3.41Å; F312-V316 HydrophobicContact CD1-CG2 4.28Å; F312-V316 HydrophobicContact CD2-CG2 4.38Å; F312-V316 HydrophobicContact CE1-CG2 3.82Å; F312-V316 HydrophobicContact CE2-CG2 3.92Å; F312-V316 HydrophobicContact CZ-CG2 3.64Å; F312-V316 WeakPolarHBondContact O-CG2 3.43Å; F312-V316 PolarHBondContact O-N 2.88Å |
| 313 | L | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 179.4 | -70.6 | 173.8 | 0 | 0 | 0 | 112 | L288 I291 F309 S310 A317 I327 L331 | L288-L313 HydrophobicContact CD2-CD2 4.12Å; I291-L313 HydrophobicContact CG2-CD2 4.22Å; I291-L313 HydrophobicContact CG2-CG 4.42Å; F309-L313 WeakPolarHBondContact O-CB 3Å; F309-L313 VanDerWaalsContact O-CG 3.24Å; F309-L313 WeakPolarHBondContact O-CG 3.3Å; F309-L313 PolarHBondContact O-N 2.91Å; S310-L313 PolarHBondContact O-N 3.42Å; L313-A317 WeakPolarHBondContact O-CB 3.49Å; L313-A317 PolarHBondContact O-N 3.35Å; L313-I327 HydrophobicContact CD2-CD1 4.14Å; L313-L331 HydrophobicContact CD1-CD2 4.01Å |
| 314 | L | 94.8 | Very high | 93 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 174.5 | -71.5 | 172.7 | 0 | 0 | 0 | 112.2 | S310 F312 A317 R318 G348 V349 | S310-L314 WeakPolarHBondContact O-CB 3.24Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.22Å; S310-L314 PolarHBondContact O-N 3.05Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 2.88Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-R318 WeakPolarHBondContact O-CG 3.29Å; L314-R318 PolarHBondContact O-N 3.48Å; L314-G348 VanDerWaalsContact CD2-C 3.46Å; L314-V349 HydrophobicContact CD2-CG2 4.1Å |
| 315 | E | 95.4 | Very high | 93 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 178.4 | -163.7 | 59.6 | -159.4 | 0 | 0 | 112.2 | M268 N311 F312 A317 R318 T319 | M268-E315 HydrophobicContact CE-CG 4.01Å; M268-E315 HydrophobicContact CG-CB 4.11Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.07Å; M268-E315 HydrophobicContact SD-CG 4.04Å; N311-E315 WeakPolarHBondContact O-CB 3.29Å; N311-E315 PolarHBondContact O-N 3.14Å; F312-E315 PolarHBondContact O-N 3.41Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-R318 IonicContact OE2-NH1 2.82Å; E315-R318 PolarHBondContact OE2-NH1 2.99Å; E315-T319 WeakPolarHBondContact O-CB 3.37Å; E315-T319 PolarHBondContact O-N 3.4Å; E315-T319 PolarHBondContact O-OG1 2.86Å |
| 316 | V | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 168.9 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | M268 L288 F312 T319 Y320 L323 | M268-V316 HydrophobicContact CE-CG2 4.4Å; M268-V316 HydrophobicContact SD-CB 4.32Å; M268-V316 HydrophobicContact SD-CG2 3.4Å; M268-V316 WeakPolarHBondContact SD-CG2 3.27Å; L288-V316 HydrophobicContact CD1-CG1 4.11Å; L288-V316 HydrophobicContact CD2-CG1 4.27Å; L288-V316 HydrophobicContact CD2-CG2 4.27Å; F312-V316 HydrophobicContact CD1-CG2 4.28Å; F312-V316 HydrophobicContact CD2-CG2 4.38Å; F312-V316 HydrophobicContact CE1-CG2 3.82Å; F312-V316 HydrophobicContact CE2-CG2 3.92Å; F312-V316 HydrophobicContact CZ-CG2 3.64Å; F312-V316 WeakPolarHBondContact O-CG2 3.43Å; F312-V316 PolarHBondContact O-N 2.88Å; V316-T319 PolarHBondContact O-N 3.33Å; V316-Y320 WeakPolarHBondContact O-CA 3.09Å; V316-Y320 PolarHBondContact O-N 3.13Å; V316-L323 HydrophobicContact CG1-CD2 4.28Å |
| 317 | A | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L313 L314 E315 P321 A324 V349 E352 | L313-A317 WeakPolarHBondContact O-CB 3.49Å; L313-A317 PolarHBondContact O-N 3.35Å; L314-A317 PolarHBondContact O-N 3.47Å; E315-A317 VanDerWaalsContact C-N 3.33Å; A317-P321 WeakPolarHBondContact O-CA 3.44Å; A317-P321 WeakPolarHBondContact O-CG 3.24Å; A317-A324 HydrophobicContact CB-CB 3.81Å; A317-V349 HydrophobicContact CB-CB 4.33Å; A317-V349 HydrophobicContact CB-CG1 4.12Å; A317-V349 HydrophobicContact CB-CG2 4.01Å; A317-E352 HydrophobicContact CB-CB 4.04Å; A317-E352 HydrophobicContact CB-CG 4.15Å |
| 318 | R | 95 | Very high | 92.9 | Very high | 123 Ų | 123 | 30.2 Ų | 30.2 | 46% | 0.464 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.4 | -75.6 | 173.6 | -165.8 | 143.2 | 1.8 | 112.9 | L314 E315 E352 | L314-R318 WeakPolarHBondContact O-CG 3.29Å; L314-R318 PolarHBondContact O-N 3.48Å; E315-R318 IonicContact OE2-NH1 2.82Å; E315-R318 PolarHBondContact OE2-NH1 2.99Å; R318-E352 HydrophobicContact CG-CG 3.79Å; R318-E352 VanDerWaalsContact CG-OE1 3.23Å; R318-E352 WeakPolarHBondContact CG-OE1 3.42Å; R318-E352 IonicContact NE-OE1 3.08Å; R318-E352 PolarHBondContact NE-OE1 3.42Å |
| 319 | T | 95.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -81.8 | -40 | -173.3 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | E315 V316 | E315-T319 WeakPolarHBondContact O-CB 3.37Å; E315-T319 PolarHBondContact O-N 3.4Å; E315-T319 PolarHBondContact O-OG1 2.86Å; V316-T319 PolarHBondContact O-N 3.33Å |
| 320 | Y | 94.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -128.8 | 70.6 | -176.4 | -54.8 | -70.8 | 0 | 0 | 0 | 112 | M268 V271 R272 I275 E276 V316 T322 L323 A324 | M268-Y320 HydrophobicContact CE-CE2 4.49Å; V271-Y320 HydrophobicContact CG1-CD2 4.34Å; V271-Y320 HydrophobicContact CG1-CE2 4.06Å; R272-Y320 WeakPolarHBondContact CA-OH 3.4Å; R272-Y320 WeakPolarHBondContact CG-OH 3.4Å; I275-Y320 HydrophobicContact CD1-CD1 4.12Å; I275-Y320 HydrophobicContact CD1-CD2 3.88Å; I275-Y320 HydrophobicContact CD1-CE1 4.12Å; I275-Y320 HydrophobicContact CD1-CE2 3.88Å; I275-Y320 HydrophobicContact CD1-CG 4.01Å; I275-Y320 HydrophobicContact CG2-CE1 4.23Å; E276-Y320 PolarHBondContact OE1-OH 2.89Å; V316-Y320 WeakPolarHBondContact O-CA 3.09Å; V316-Y320 PolarHBondContact O-N 3.13Å; Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 3.33Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.04Å; Y320-A324 PolarHBondContact O-N 2.9Å | ||
| 321 | P | 91.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -35.2 | -176.6 | -27.4 | 35 | 0 | 0 | 0 | 114.9 | A317 L323 A324 Q325 M356 | A317-P321 WeakPolarHBondContact O-CA 3.44Å; A317-P321 WeakPolarHBondContact O-CG 3.24Å; P321-L323 VanDerWaalsContact C-N 3.32Å; P321-L323 PolarHBondContact O-N 3.17Å; P321-A324 WeakPolarHBondContact O-CB 3.35Å; P321-A324 PolarHBondContact O-N 2.65Å; P321-Q325 PolarHBondContact O-N 3.4Å; P321-M356 HydrophobicContact CB-CE 4.37Å; P321-M356 HydrophobicContact CB-CG 4.08Å; P321-M356 HydrophobicContact CB-SD 3.32Å; P321-M356 WeakPolarHBondContact CB-SD 3.39Å |
| 322 | T | 89.9 | Confident | 91.9 | Very high | 95 Ų | 95 | 39.9 Ų | 39.9 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66 | -34.5 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | Y320 M356 | Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 3.33Å; T322-M356 HydrophobicContact CG2-CE 3.66Å |
| 323 | L | 91.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.9 | -41.8 | 173.3 | -178 | 62.4 | 0 | 0 | 0 | 110.2 | I275 V284 R285 L288 V316 Y320 P321 Q325 S326 I327 | I275-L323 HydrophobicContact CD1-CD2 3.89Å; V284-L323 HydrophobicContact CG1-CD2 3.75Å; R285-L323 HydrophobicContact CG-CD1 3.63Å; L288-L323 HydrophobicContact CD1-CD1 4.16Å; L288-L323 HydrophobicContact CD1-CD2 3.68Å; L288-L323 HydrophobicContact CD1-CG 3.75Å; V316-L323 HydrophobicContact CG1-CD2 4.28Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.04Å; P321-L323 VanDerWaalsContact C-N 3.32Å; P321-L323 PolarHBondContact O-N 3.17Å; L323-Q325 VanDerWaalsContact C-N 3.31Å; L323-Q325 PolarHBondContact O-N 3.4Å; L323-S326 WeakPolarHBondContact O-CB 3.4Å; L323-S326 PolarHBondContact O-N 2.67Å; L323-S326 PolarHBondContact O-OG 2.74Å; L323-I327 PolarHBondContact O-N 2.92Å |
| 324 | A | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A317 Y320 P321 S326 I327 L328 V349 I353 | A317-A324 HydrophobicContact CB-CB 3.81Å; Y320-A324 PolarHBondContact O-N 2.9Å; P321-A324 WeakPolarHBondContact O-CB 3.35Å; P321-A324 PolarHBondContact O-N 2.65Å; A324-S326 PolarHBondContact O-N 3.43Å; A324-I327 WeakPolarHBondContact O-CG1 3.32Å; A324-I327 PolarHBondContact O-N 3.22Å; A324-I327 VanDerWaalsContact O-N 3.13Å; A324-L328 PolarHBondContact O-N 3.26Å; A324-V349 HydrophobicContact CB-CG1 4.4Å; A324-I353 HydrophobicContact CB-CD1 3.83Å; A324-I353 HydrophobicContact CB-CG1 3.86Å |
| 325 | Q | 89.7 | Confident | 90.4 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.4 | -36.9 | 174.4 | -169.6 | -167.9 | 7.9 | 0 | 0 | 112.2 | P321 L323 I353 | P321-Q325 PolarHBondContact O-N 3.4Å; L323-Q325 VanDerWaalsContact C-N 3.31Å; L323-Q325 PolarHBondContact O-N 3.4Å; Q325-I353 HydrophobicContact CB-CG2 4.48Å |
| 326 | S | 87.7 | Confident | 89.7 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.7 | -25.4 | -179.6 | 77.7 | 0 | 0 | 0 | 0 | 113.9 | L323 A324 | L323-S326 WeakPolarHBondContact O-CB 3.4Å; L323-S326 PolarHBondContact O-N 2.67Å; L323-S326 PolarHBondContact O-OG 2.74Å; A324-S326 PolarHBondContact O-N 3.43Å |
| 327 | I | 89.1 | Confident | 89 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -94.4 | -19.9 | 178.9 | 63 | 163.1 | 0 | 0 | 0 | 112.8 | L288 L313 L323 A324 P329 L330 L331 | L288-I327 HydrophobicContact CB-CG2 3.88Å; L288-I327 HydrophobicContact CD1-CD1 4.43Å; L288-I327 HydrophobicContact CD1-CG2 3.98Å; L313-I327 HydrophobicContact CD2-CD1 4.14Å; L323-I327 PolarHBondContact O-N 2.92Å; A324-I327 WeakPolarHBondContact O-CG1 3.32Å; A324-I327 PolarHBondContact O-N 3.22Å; A324-I327 VanDerWaalsContact O-N 3.13Å; I327-P329 VanDerWaalsContact C-N 3.31Å; I327-P329 VanDerWaalsContact O-N 3.16Å; I327-L330 WeakPolarHBondContact O-CA 3.37Å; I327-L330 VanDerWaalsContact O-CB 3.29Å; I327-L330 WeakPolarHBondContact O-CB 3.48Å; I327-L330 PolarHBondContact O-N 3.34Å; I327-L331 HydrophobicContact CD1-CD1 4.2Å; I327-L331 PolarHBondContact O-N 3.07Å |
| 328 | L | 90.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.4 | -41.7 | -177.8 | -177.6 | 63.4 | 0 | 0 | 0 | 113.8 | A324 L330 L331 R332 V346 V349 I350 I353 L374 | A324-L328 PolarHBondContact O-N 3.26Å; L328-L330 PolarHBondContact O-N 3.26Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L328-L331 PolarHBondContact O-N 3.04Å; L328-R332 WeakPolarHBondContact O-CG 3.46Å; L328-R332 PolarHBondContact O-N 2.93Å; L328-R332 VanDerWaalsContact O-N 3.09Å; L328-V346 HydrophobicContact CD1-CG1 4.16Å; L328-V349 HydrophobicContact CD1-CG1 4.31Å; L328-I350 HydrophobicContact CD1-CG1 3.9Å; L328-I350 HydrophobicContact CD2-CG1 4.36Å; L328-I353 HydrophobicContact CB-CD1 4.18Å; L328-I353 HydrophobicContact CD2-CD1 4.03Å; L328-L374 HydrophobicContact CD2-CD2 3.47Å; L328-L374 VanDerWaalsContact CD2-CD2 3.47Å |
| 329 | P | 89.1 | Confident | 87.2 | Confident | 91 Ų | 91 | 51 Ų | 51 | 59% | 0.591 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.2 | -29.2 | 175.3 | -26.6 | 36.2 | 0 | 0 | 0 | 114.8 | I327 | I327-P329 VanDerWaalsContact C-N 3.31Å; I327-P329 VanDerWaalsContact O-N 3.16Å |
| 330 | L | 86.8 | Confident | 86.7 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -78.5 | -25.6 | 177.2 | -55.4 | 172 | 0 | 0 | 0 | 112.3 | K289 C292 I327 L328 C333 | K289-L330 HydrophobicContact CB-CD1 4.45Å; K289-L330 HydrophobicContact CG-CD1 3.6Å; C292-L330 HydrophobicContact CB-CB 4.18Å; I327-L330 WeakPolarHBondContact O-CA 3.37Å; I327-L330 VanDerWaalsContact O-CB 3.29Å; I327-L330 WeakPolarHBondContact O-CB 3.48Å; I327-L330 PolarHBondContact O-N 3.34Å; L328-L330 PolarHBondContact O-N 3.26Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L330-C333 PolarHBondContact O-SG 3.4Å; L330-C333 VanDerWaalsContact O-SG 3.4Å |
| 331 | L | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -87 | -18.7 | 178.8 | -67.6 | 178.7 | 0 | 0 | 0 | 112.7 | C292 L313 I327 L328 C333 R334 V346 V349 | C292-L331 HydrophobicContact CB-CD2 4.38Å; C292-L331 VanDerWaalsContact SG-CD2 3.59Å; L313-L331 HydrophobicContact CD1-CD2 4.01Å; I327-L331 HydrophobicContact CD1-CD1 4.2Å; I327-L331 PolarHBondContact O-N 3.07Å; L328-L331 PolarHBondContact O-N 3.04Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.49Å; L331-R334 VanDerWaalsContact O-CB 3.24Å; L331-R334 WeakPolarHBondContact O-CB 3.46Å; L331-R334 VanDerWaalsContact O-CG 3.31Å; L331-R334 WeakPolarHBondContact O-CG 3.31Å; L331-R334 PolarHBondContact O-N 2.72Å; L331-V346 HydrophobicContact CB-CG1 4.23Å; L331-V346 HydrophobicContact CB-CG2 3.89Å; L331-V349 HydrophobicContact CD1-CG1 4.35Å; L331-V349 HydrophobicContact CD1-CG2 4.28Å |
| 332 | R | 85.4 | Confident | 86 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57.7 | -36.9 | -175.1 | -76.1 | -176.8 | 74.2 | 174.8 | 3.6 | 113.8 | L328 R334 L335 | L328-R332 WeakPolarHBondContact O-CG 3.46Å; L328-R332 PolarHBondContact O-N 2.93Å; L328-R332 VanDerWaalsContact O-N 3.09Å; R332-R334 PolarHBondContact O-N 2.65Å; R332-R334 VanDerWaalsContact O-N 3.15Å; R332-L335 WeakPolarHBondContact O-CB 3.34Å; R332-L335 PolarHBondContact O-N 3.26Å; R332-L335 VanDerWaalsContact O-N 3.16Å |
| 333 | C | 83.7 | Confident | 86.1 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.4 | -17.5 | 176.9 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | L330 L331 L335 D336 | L330-C333 PolarHBondContact O-SG 3.4Å; L330-C333 VanDerWaalsContact O-SG 3.4Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.49Å; C333-L335 VanDerWaalsContact C-N 3.34Å; C333-D336 PolarHBondContact O-N 3.16Å |
| 334 | R | 84.2 | Confident | 86.1 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -79.8 | -15.8 | 178.3 | -46.3 | -61.2 | 179.3 | 156.3 | 6.4 | 113.3 | C292 Y294 L331 R332 D336 E337 M342 V346 | C292-R334 PolarHBondContact O-NH2 3.41Å; Y294-R334 PolarHBondContact O-NH1 3.36Å; Y294-R334 PolarHBondContact O-NH2 3.4Å; L331-R334 VanDerWaalsContact O-CB 3.24Å; L331-R334 WeakPolarHBondContact O-CB 3.46Å; L331-R334 VanDerWaalsContact O-CG 3.31Å; L331-R334 WeakPolarHBondContact O-CG 3.31Å; L331-R334 PolarHBondContact O-N 2.72Å; R332-R334 PolarHBondContact O-N 2.65Å; R332-R334 VanDerWaalsContact O-N 3.15Å; R334-D336 PolarHBondContact O-N 3.15Å; R334-E337 WeakPolarHBondContact CD-OE1 3.38Å; R334-E337 VanDerWaalsContact CD-OE2 3.3Å; R334-E337 WeakPolarHBondContact CD-OE2 3.43Å; R334-E337 IonicContact CZ-OE1 3.81Å; R334-E337 IonicContact NE-OE1 2.91Å; R334-E337 IonicContact NH1-OE1 2.79Å; R334-E337 PolarHBondContact NH1-OE1 3.49Å; R334-E337 IonicContact NH1-OE2 2.75Å; R334-E337 PolarHBondContact O-N 2.91Å; R334-M342 HydrophobicContact CG-CE 4.37Å; R334-V346 HydrophobicContact CB-CG2 3.87Å |
| 335 | L | 86.6 | Confident | 86.1 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -68.2 | -21.8 | 172.4 | -69.7 | 173 | 0 | 0 | 0 | 111.9 | R332 C333 R343 V346 L347 I350 L377 | R332-L335 WeakPolarHBondContact O-CB 3.34Å; R332-L335 PolarHBondContact O-N 3.26Å; R332-L335 VanDerWaalsContact O-N 3.16Å; C333-L335 VanDerWaalsContact C-N 3.34Å; L335-R343 WeakPolarHBondContact O-CD 3.25Å; L335-V346 HydrophobicContact CD1-CG1 4.01Å; L335-V346 HydrophobicContact CD2-CB 3.67Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.07Å; L335-V346 HydrophobicContact CG-CG1 3.71Å; L335-L347 HydrophobicContact CD2-CD2 4.21Å; L335-L347 HydrophobicContact CD2-CG 4.18Å; L335-I350 HydrophobicContact CD1-CD1 4.23Å; L335-L377 HydrophobicContact CD1-CD1 4.32Å; L335-L377 HydrophobicContact CD1-CD2 4.18Å |
| 336 | D | 81.7 | Confident | 86.3 | Confident | 138 Ų | 138 | 46.1 Ų | 46.1 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -92.1 | -2 | 178.5 | -57.2 | -44.4 | 0 | 0 | 0 | 113 | C333 R334 | C333-D336 PolarHBondContact O-N 3.16Å; R334-D336 PolarHBondContact O-N 3.15Å |
| 337 | E | 81.1 | Confident | 86.7 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.4 | 150.4 | 179.9 | -68.4 | 179.3 | 168.8 | 0 | 0 | 111.3 | G296 R334 R343 | G296-E337 WeakPolarHBondContact CA-OE1 3.47Å; R334-E337 WeakPolarHBondContact CD-OE1 3.38Å; R334-E337 VanDerWaalsContact CD-OE2 3.3Å; R334-E337 WeakPolarHBondContact CD-OE2 3.43Å; R334-E337 IonicContact CZ-OE1 3.81Å; R334-E337 IonicContact NE-OE1 2.91Å; R334-E337 IonicContact NH1-OE1 2.79Å; R334-E337 PolarHBondContact NH1-OE1 3.49Å; R334-E337 IonicContact NH1-OE2 2.75Å; R334-E337 PolarHBondContact O-N 2.91Å; E337-R343 WeakPolarHBondContact O-CD 3.44Å; E337-R343 PolarHBondContact O-NH1 3.41Å |
| 338 | E | 76.3 | Confident | 87 | Confident | 156 Ų | 156 | 43.7 Ų | 43.7 | 73% | 0.729 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -67.8 | -35.9 | -177.3 | -70.6 | -67.9 | 150.1 | 0 | 0 | 115.4 | Y340 R343 | E338-Y340 PolarHBondContact O-N 3.22Å; E338-R343 PolarHBondContact O-NH1 3.09Å |
| 339 | P | 77.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | trans | -73.1 | 125.4 | 178.3 | -14.1 | 28 | 0 | 0 | 0 | 112 | E300 Q341 | E300-P339 HydrophobicContact CB-CG 3.88Å; E300-P339 HydrophobicContact CG-CG 3.45Å; E300-P339 VanDerWaalsContact CG-CG 3.45Å; E300-P339 WeakPolarHBondContact OE1-CD 3.49Å; E300-P339 WeakPolarHBondContact OE1-CG 3.35Å; P339-Q341 VanDerWaalsContact C-N 3.25Å; P339-Q341 PolarHBondContact O-N 3.18Å | ||
| 340 | Y | 85.2 | Confident | 87.6 | Confident | 73 Ų | 73 | 39 Ų | 39 | 29% | 0.286 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.9 | -23 | -177.2 | 71.8 | -91.3 | 0 | 0 | 0 | 113.6 | E338 R343 N344 N386 Y388 V389 | E338-Y340 PolarHBondContact O-N 3.22Å; Y340-R343 PolarHBondContact O-N 3.42Å; Y340-N344 VanDerWaalsContact O-CB 3.25Å; Y340-N344 WeakPolarHBondContact O-CB 3.32Å; Y340-N344 PolarHBondContact O-N 3.41Å; Y340-N386 WeakPolarHBondContact CD1-ND2 3.38Å; Y340-Y388 HydrophobicContact CD2-CD2 4.41Å; Y340-Y388 HydrophobicContact CD2-CG 4.44Å; Y340-Y388 HydrophobicContact CE2-CD2 4.07Å; Y340-Y388 HydrophobicContact CE2-CG 4.18Å; Y340-V389 VanDerWaalsContact CB-CG2 3.49Å |
| 341 | Q | 85.9 | Confident | 88 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | -177.7 | -61.8 | 84.4 | -9.7 | 0 | 0 | 111.3 | P339 N344 C345 | P339-Q341 VanDerWaalsContact C-N 3.25Å; P339-Q341 PolarHBondContact O-N 3.18Å; Q341-N344 PolarHBondContact O-N 2.81Å; Q341-C345 PolarHBondContact O-N 2.86Å |
| 342 | M | 85.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -41.3 | 176.7 | -71.4 | -56.1 | -64.9 | 0 | 0 | 111.3 | L299 R334 N344 C345 V346 | L299-M342 HydrophobicContact CD1-CE 4.42Å; R334-M342 HydrophobicContact CG-CE 4.37Å; M342-N344 VanDerWaalsContact C-N 3.33Å; M342-N344 PolarHBondContact O-N 3Å; M342-C345 VanDerWaalsContact O-CB 3.32Å; M342-C345 WeakPolarHBondContact O-CB 3.4Å; M342-C345 PolarHBondContact O-N 3.14Å; M342-V346 WeakPolarHBondContact O-CG2 3.43Å; M342-V346 PolarHBondContact O-N 2.88Å |
| 343 | R | 90.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 171.8 | -60.8 | -154.7 | -64.2 | -80.2 | 5.8 | 111.4 | L335 E337 E338 Y340 C345 V346 L347 D384 V389 | L335-R343 WeakPolarHBondContact O-CD 3.25Å; E337-R343 WeakPolarHBondContact O-CD 3.44Å; E337-R343 PolarHBondContact O-NH1 3.41Å; E338-R343 PolarHBondContact O-NH1 3.09Å; Y340-R343 PolarHBondContact O-N 3.42Å; R343-C345 VanDerWaalsContact C-N 3.34Å; R343-C345 PolarHBondContact O-N 2.98Å; R343-V346 PolarHBondContact O-N 3.19Å; R343-V346 VanDerWaalsContact O-N 3.16Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 3Å; R343-D384 IonicContact CZ-OD1 3.59Å; R343-D384 IonicContact CZ-OD2 3.83Å; R343-D384 IonicContact NE-OD1 2.96Å; R343-D384 IonicContact NE-OD2 3.84Å; R343-D384 PolarHBondContact NE-OD2 3.39Å; R343-D384 IonicContact NH2-OD1 2.88Å; R343-D384 PolarHBondContact NH2-OD1 3.43Å; R343-D384 IonicContact NH2-OD2 2.59Å; R343-V389 HydrophobicContact CB-CG1 4.41Å; R343-V389 HydrophobicContact CB-CG2 4.37Å |
| 344 | N | 92.1 | Very high | 89 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -35.3 | 177.1 | -82.1 | -8.9 | 0 | 0 | 0 | 113.4 | Y340 Q341 M342 G348 V389 K392 | Y340-N344 VanDerWaalsContact O-CB 3.25Å; Y340-N344 WeakPolarHBondContact O-CB 3.32Å; Y340-N344 PolarHBondContact O-N 3.41Å; Q341-N344 PolarHBondContact O-N 2.81Å; M342-N344 VanDerWaalsContact C-N 3.33Å; M342-N344 PolarHBondContact O-N 3Å; N344-G348 PolarHBondContact O-N 3.16Å; N344-V389 VanDerWaalsContact OD1-CA 3.29Å; N344-V389 WeakPolarHBondContact OD1-CA 3.23Å; N344-K392 HydrophobicContact CB-CG 4.44Å; N344-K392 WeakPolarHBondContact OD1-CB 3.38Å |
| 345 | C | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | S310 Q341 M342 R343 G348 V349 | S310-C345 WeakPolarHBondContact OG-CB 3.43Å; Q341-C345 PolarHBondContact O-N 2.86Å; M342-C345 VanDerWaalsContact O-CB 3.32Å; M342-C345 WeakPolarHBondContact O-CB 3.4Å; M342-C345 PolarHBondContact O-N 3.14Å; R343-C345 VanDerWaalsContact C-N 3.34Å; R343-C345 PolarHBondContact O-N 2.98Å; C345-G348 PolarHBondContact O-N 3.24Å; C345-G348 VanDerWaalsContact O-N 3.14Å; C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3.02Å |
| 346 | V | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | L328 L331 R334 L335 M342 R343 G348 V349 I350 | L328-V346 HydrophobicContact CD1-CG1 4.16Å; L331-V346 HydrophobicContact CB-CG1 4.23Å; L331-V346 HydrophobicContact CB-CG2 3.89Å; R334-V346 HydrophobicContact CB-CG2 3.87Å; L335-V346 HydrophobicContact CD1-CG1 4.01Å; L335-V346 HydrophobicContact CD2-CB 3.67Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.07Å; L335-V346 HydrophobicContact CG-CG1 3.71Å; M342-V346 WeakPolarHBondContact O-CG2 3.43Å; M342-V346 PolarHBondContact O-N 2.88Å; R343-V346 PolarHBondContact O-N 3.19Å; R343-V346 VanDerWaalsContact O-N 3.16Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 2.93Å; V346-V349 PolarHBondContact O-N 3.23Å; V346-I350 HydrophobicContact CG1-CD1 4.2Å; V346-I350 WeakPolarHBondContact O-CG1 3.33Å; V346-I350 PolarHBondContact O-N 2.99Å |
| 347 | L | 96.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 171.9 | -72.4 | -178.2 | 0 | 0 | 0 | 111.4 | L335 R343 I350 G351 L378 H381 V389 K392 A393 I396 | L335-L347 HydrophobicContact CD2-CD2 4.21Å; L335-L347 HydrophobicContact CD2-CG 4.18Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 3Å; L347-I350 HydrophobicContact CD2-CD1 4.43Å; L347-I350 CarbonylContact O-C 3.57Å; L347-I350 WeakPolarHBondContact O-CB 3.46Å; L347-I350 PolarHBondContact O-N 3.2Å; L347-G351 PolarHBondContact O-N 3.47Å; L347-L378 HydrophobicContact CD2-CD1 4.07Å; L347-H381 HydrophobicContact CD1-CB 3.97Å; L347-H381 HydrophobicContact CD2-CB 4.14Å; L347-V389 HydrophobicContact CD1-CG1 3.47Å; L347-V389 VanDerWaalsContact CD1-CG1 3.47Å; L347-K392 HydrophobicContact CB-CG 4.29Å; L347-A393 HydrophobicContact CD1-CB 4.34Å; L347-I396 HydrophobicContact CB-CD1 3.94Å; L347-I396 WeakPolarHBondContact O-CD1 3.42Å |
| 348 | G | 95.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L314 N344 C345 V346 I350 G351 E352 | L314-G348 VanDerWaalsContact CD2-C 3.46Å; N344-G348 PolarHBondContact O-N 3.16Å; C345-G348 PolarHBondContact O-N 3.24Å; C345-G348 VanDerWaalsContact O-N 3.14Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 2.93Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 2.89Å; G348-G351 CarbonylContact O-C 3.5Å; G348-G351 WeakPolarHBondContact O-CA 3.5Å; G348-G351 PolarHBondContact O-N 3.2Å; G348-E352 WeakPolarHBondContact O-CG 3.33Å; G348-E352 PolarHBondContact O-N 3.24Å |
| 349 | V | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L314 A317 A324 L328 L331 C345 V346 G351 E352 I353 | L314-V349 HydrophobicContact CD2-CG2 4.1Å; A317-V349 HydrophobicContact CB-CB 4.33Å; A317-V349 HydrophobicContact CB-CG1 4.12Å; A317-V349 HydrophobicContact CB-CG2 4.01Å; A324-V349 HydrophobicContact CB-CG1 4.4Å; L328-V349 HydrophobicContact CD1-CG1 4.31Å; L331-V349 HydrophobicContact CD1-CG1 4.35Å; L331-V349 HydrophobicContact CD1-CG2 4.28Å; C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3.02Å; V346-V349 PolarHBondContact O-N 3.23Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 3.1Å; V349-E352 PolarHBondContact O-N 3.46Å; V349-I353 HydrophobicContact CG1-CD1 3.58Å; V349-I353 HydrophobicContact CG1-CG1 4.46Å; V349-I353 WeakPolarHBondContact O-CD1 3.32Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.48Å; V349-I353 PolarHBondContact O-N 2.87Å |
| 350 | I | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 172.2 | -68.7 | 169.1 | 0 | 0 | 0 | 110.2 | L328 L335 V346 L347 G348 E352 I353 L354 L374 L377 | L328-I350 HydrophobicContact CD1-CG1 3.9Å; L328-I350 HydrophobicContact CD2-CG1 4.36Å; L335-I350 HydrophobicContact CD1-CD1 4.23Å; V346-I350 HydrophobicContact CG1-CD1 4.2Å; V346-I350 WeakPolarHBondContact O-CG1 3.33Å; V346-I350 PolarHBondContact O-N 2.99Å; L347-I350 HydrophobicContact CD2-CD1 4.43Å; L347-I350 CarbonylContact O-C 3.57Å; L347-I350 WeakPolarHBondContact O-CB 3.46Å; L347-I350 PolarHBondContact O-N 3.2Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 2.89Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.07Å; I350-I353 PolarHBondContact O-N 3.37Å; I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 2.81Å; I350-L374 HydrophobicContact CG1-CD2 4.29Å; I350-L374 HydrophobicContact CG2-CB 4.2Å; I350-L374 HydrophobicContact CG2-CD2 4.34Å; I350-L377 HydrophobicContact CD1-CB 4.38Å; I350-L377 HydrophobicContact CD1-CD1 4.22Å |
| 351 | G | 94.4 | Very high | 87.7 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L347 G348 V349 P355 | L347-G351 PolarHBondContact O-N 3.47Å; G348-G351 CarbonylContact O-C 3.5Å; G348-G351 WeakPolarHBondContact O-CA 3.5Å; G348-G351 PolarHBondContact O-N 3.2Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 3.1Å; G351-P355 WeakPolarHBondContact O-CD 3.44Å; G351-P355 WeakPolarHBondContact O-CG 3.35Å |
| 352 | E | 93.5 | Very high | 87 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -82.3 | -30.5 | 174.4 | -58.1 | -59.5 | 166.1 | 0 | 0 | 112.5 | A317 R318 G348 V349 I350 | A317-E352 HydrophobicContact CB-CB 4.04Å; A317-E352 HydrophobicContact CB-CG 4.15Å; R318-E352 HydrophobicContact CG-CG 3.79Å; R318-E352 VanDerWaalsContact CG-OE1 3.23Å; R318-E352 WeakPolarHBondContact CG-OE1 3.42Å; R318-E352 IonicContact NE-OE1 3.08Å; R318-E352 PolarHBondContact NE-OE1 3.42Å; G348-E352 WeakPolarHBondContact O-CG 3.33Å; G348-E352 PolarHBondContact O-N 3.24Å; V349-E352 PolarHBondContact O-N 3.46Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 3.07Å |
| 353 | I | 93.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.9 | -41.5 | 180 | -69 | 164.5 | 0 | 0 | 0 | 111.8 | A324 Q325 L328 V349 I350 P355 M356 F357 L374 | A324-I353 HydrophobicContact CB-CD1 3.83Å; A324-I353 HydrophobicContact CB-CG1 3.86Å; Q325-I353 HydrophobicContact CB-CG2 4.48Å; L328-I353 HydrophobicContact CB-CD1 4.18Å; L328-I353 HydrophobicContact CD2-CD1 4.03Å; V349-I353 HydrophobicContact CG1-CD1 3.58Å; V349-I353 HydrophobicContact CG1-CG1 4.46Å; V349-I353 WeakPolarHBondContact O-CD1 3.32Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.48Å; V349-I353 PolarHBondContact O-N 2.87Å; I350-I353 PolarHBondContact O-N 3.37Å; I353-P355 VanDerWaalsContact C-CD 3.48Å; I353-M356 VanDerWaalsContact O-CB 3.23Å; I353-M356 WeakPolarHBondContact O-CB 3.41Å; I353-M356 WeakPolarHBondContact O-CG 3.29Å; I353-M356 PolarHBondContact O-N 2.88Å; I353-F357 HydrophobicContact CG2-CD2 4.49Å; I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 HydrophobicContact CG2-CZ 4.49Å; I353-L374 HydrophobicContact CG2-CD1 3.93Å |
| 354 | L | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.7 | -172.3 | -175.9 | 58 | 0 | 0 | 0 | 113.9 | I350 M356 F357 A358 R371 L374 M375 L378 I400 | I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 2.81Å; L354-M356 PolarHBondContact O-N 3.43Å; L354-M356 VanDerWaalsContact O-N 3.12Å; L354-F357 PolarHBondContact O-N 3.01Å; L354-A358 WeakPolarHBondContact O-CB 3.42Å; L354-A358 PolarHBondContact O-N 2.85Å; L354-R371 HydrophobicContact CD1-CG 4.06Å; L354-L374 HydrophobicContact CD1-CB 3.92Å; L354-L374 HydrophobicContact CD1-CD1 4.27Å; L354-M375 HydrophobicContact CD1-CE 4.18Å; L354-M375 HydrophobicContact CD1-CG 4.15Å; L354-M375 HydrophobicContact CD2-CG 4.08Å; L354-L378 HydrophobicContact CD2-CD2 4.41Å; L354-I400 HydrophobicContact CB-CD1 4.1Å; L354-I400 HydrophobicContact CD2-CD1 3.77Å; L354-I400 HydrophobicContact CD2-CG1 3.83Å; L354-I400 HydrophobicContact CG-CD1 3.73Å; L354-I400 HydrophobicContact CG-CG1 4.35Å |
| 355 | P | 89.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.4 | -26.8 | 174.5 | -29 | 36.8 | 0 | 0 | 0 | 114.9 | G351 I353 F357 A358 I400 L403 | G351-P355 WeakPolarHBondContact O-CD 3.44Å; G351-P355 WeakPolarHBondContact O-CG 3.35Å; I353-P355 VanDerWaalsContact C-CD 3.48Å; P355-F357 PolarHBondContact O-N 2.7Å; P355-A358 PolarHBondContact O-N 3.45Å; P355-I400 HydrophobicContact CG-CD1 4.04Å; P355-L403 HydrophobicContact CB-CD1 4.3Å; P355-L403 HydrophobicContact CG-CD1 4.18Å |
| 356 | M | 87.1 | Confident | 85.3 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 29% | 0.286 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -28.4 | 175.6 | -60.5 | 174.3 | 65.7 | 0 | 0 | 112.7 | P321 T322 I353 L354 R360 | P321-M356 HydrophobicContact CB-CE 4.37Å; P321-M356 HydrophobicContact CB-CG 4.08Å; P321-M356 HydrophobicContact CB-SD 3.32Å; P321-M356 WeakPolarHBondContact CB-SD 3.39Å; T322-M356 HydrophobicContact CG2-CE 3.66Å; I353-M356 VanDerWaalsContact O-CB 3.23Å; I353-M356 WeakPolarHBondContact O-CB 3.41Å; I353-M356 WeakPolarHBondContact O-CG 3.29Å; I353-M356 PolarHBondContact O-N 2.88Å; L354-M356 PolarHBondContact O-N 3.43Å; L354-M356 VanDerWaalsContact O-N 3.12Å; M356-R360 WeakPolarHBondContact O-CD 3.32Å |
| 357 | F | 84.1 | Confident | 85 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -104.6 | -28.9 | 179.1 | -47.7 | -71.3 | 0 | 0 | 0 | 112.4 | I353 L354 P355 K359 L363 E367 Q370 R371 L374 | I353-F357 HydrophobicContact CG2-CD2 4.49Å; I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 HydrophobicContact CG2-CZ 4.49Å; L354-F357 PolarHBondContact O-N 3.01Å; P355-F357 PolarHBondContact O-N 2.7Å; F357-K359 PolarHBondContact O-N 2.89Å; F357-L363 HydrophobicContact CB-CD1 4.47Å; F357-L363 HydrophobicContact CB-CD2 4.37Å; F357-L363 HydrophobicContact CD1-CD2 4.42Å; F357-L363 WeakPolarHBondContact O-CD1 3.39Å; F357-E367 HydrophobicContact CD1-CB 4.05Å; F357-E367 HydrophobicContact CD1-CG 4.49Å; F357-E367 HydrophobicContact CE1-CB 4.31Å; F357-E367 HydrophobicContact CE1-CG 4.36Å; F357-Q370 HydrophobicContact CE2-CG 4.17Å; F357-Q370 HydrophobicContact CZ-CG 4.19Å; F357-R371 HydrophobicContact CB-CB 3.75Å; F357-R371 HydrophobicContact CB-CG 3.94Å; F357-R371 HydrophobicContact CG-CB 4.39Å; F357-L374 HydrophobicContact CD2-CD1 4.2Å; F357-L374 HydrophobicContact CE2-CD1 4.07Å |
| 358 | A | 77.3 | Confident | 84.4 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L354 P355 I400 | L354-A358 WeakPolarHBondContact O-CB 3.42Å; L354-A358 PolarHBondContact O-N 2.85Å; P355-A358 PolarHBondContact O-N 3.45Å; A358-I400 HydrophobicContact CB-CD1 4.28Å |
| 359 | K | 70.8 | Confident | 84.1 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18.9 | -177.6 | -77.9 | -171.8 | 172.7 | -174.9 | 0 | 115.3 | F357 L403 | F357-K359 PolarHBondContact O-N 2.89Å; K359-L403 WeakPolarHBondContact CE-O 3.35Å |
| 360 | R | 73.6 | Confident | 83.7 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | trans | -86.4 | 119 | -168.2 | -70.8 | 171.9 | 61.2 | -159.1 | -11.5 | 110.4 | M356 L363 E367 | M356-R360 WeakPolarHBondContact O-CD 3.32Å; R360-L363 HydrophobicContact CB-CD2 3.73Å; R360-L363 HydrophobicContact CB-CG 4.11Å; R360-E367 IonicContact CZ-OE1 2.67Å; R360-E367 IonicContact CZ-OE2 2.63Å; R360-E367 IonicContact NH1-OE1 3.51Å; R360-E367 PolarHBondContact NH1-OE1 3.38Å; R360-E367 IonicContact NH1-OE2 2.94Å; R360-E367 PolarHBondContact NH1-OE2 3.12Å; R360-E367 IonicContact NH2-OE1 3.37Å; R360-E367 IonicContact NH2-OE2 3.24Å; R360-E367 PolarHBondContact NH2-OE2 2.95Å | ||
| 361 | E | 63.5 | Low | 83.5 | Confident | 190 Ų | 190 | 69.8 Ų | 69.8 | 89% | 0.888 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -67.2 | -41.2 | 175.5 | -65.9 | -175 | 166.6 | 0 | 0 | 112.1 | ||
| 362 | Q | 70.9 | Confident | 83.2 | Confident | 174 Ų | 174 | 71 Ų | 71 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -101.6 | 89.4 | -179.9 | -66.2 | 172.2 | 6.3 | 0 | 0 | 109.6 | ||
| 363 | L | 77.3 | Confident | 83.2 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | trans | -99.5 | 140.5 | 170.7 | -69.4 | 169.5 | 0 | 0 | 0 | 109.6 | F357 R360 E367 R368 | F357-L363 HydrophobicContact CB-CD1 4.47Å; F357-L363 HydrophobicContact CB-CD2 4.37Å; F357-L363 HydrophobicContact CD1-CD2 4.42Å; F357-L363 WeakPolarHBondContact O-CD1 3.39Å; R360-L363 HydrophobicContact CB-CD2 3.73Å; R360-L363 HydrophobicContact CB-CG 4.11Å; L363-E367 HydrophobicContact CB-CB 4.16Å; L363-E367 HydrophobicContact CD2-CB 3.92Å; L363-R368 HydrophobicContact CB-CB 4.26Å | ||
| 364 | D | 82.8 | Confident | 83.2 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 57% | 0.567 | 36% | 0.361 | S | S | * | . | trans | -61.9 | 152.5 | 167.5 | -69 | -41.9 | 0 | 0 | 0 | 109.9 | N366 E367 R368 | D364-N366 PolarHBondContact O-N 3.29Å; D364-E367 HydrophobicContact CB-CG 4.27Å; D364-E367 PolarHBondContact N-OE2 2.61Å; D364-E367 PolarHBondContact O-N 2.93Å; D364-R368 PolarHBondContact O-N 2.73Å | ||
| 365 | P | 81.3 | Confident | 83.2 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -51.7 | -36.5 | -178.2 | -29 | 34.9 | 0 | 0 | 0 | 113.9 | V369 | P365-V369 VanDerWaalsContact O-CG2 3.32Å; P365-V369 WeakPolarHBondContact O-CG2 3.29Å; P365-V369 PolarHBondContact O-N 2.97Å; P365-V369 VanDerWaalsContact O-N 3.1Å |
| 366 | N | 84.5 | Confident | 83.4 | Confident | 137 Ų | 137 | 77.1 Ų | 77.1 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70 | -41.3 | 177.5 | -70.4 | -22.3 | 0 | 0 | 0 | 112.8 | D364 R368 V369 Q370 | D364-N366 PolarHBondContact O-N 3.29Å; N366-R368 VanDerWaalsContact C-N 3.34Å; N366-V369 PolarHBondContact O-N 3.03Å; N366-Q370 PolarHBondContact O-N 3.08Å |
| 367 | E | 86.7 | Confident | 83.7 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 177 | -63.3 | -176.4 | 129.7 | 0 | 0 | 110.9 | F357 R360 L363 D364 Q370 R371 | F357-E367 HydrophobicContact CD1-CB 4.05Å; F357-E367 HydrophobicContact CD1-CG 4.49Å; F357-E367 HydrophobicContact CE1-CB 4.31Å; F357-E367 HydrophobicContact CE1-CG 4.36Å; R360-E367 IonicContact CZ-OE1 2.67Å; R360-E367 IonicContact CZ-OE2 2.63Å; R360-E367 IonicContact NH1-OE1 3.51Å; R360-E367 PolarHBondContact NH1-OE1 3.38Å; R360-E367 IonicContact NH1-OE2 2.94Å; R360-E367 PolarHBondContact NH1-OE2 3.12Å; R360-E367 IonicContact NH2-OE1 3.37Å; R360-E367 IonicContact NH2-OE2 3.24Å; R360-E367 PolarHBondContact NH2-OE2 2.95Å; L363-E367 HydrophobicContact CB-CB 4.16Å; L363-E367 HydrophobicContact CD2-CB 3.92Å; D364-E367 HydrophobicContact CB-CG 4.27Å; D364-E367 PolarHBondContact N-OE2 2.61Å; D364-E367 PolarHBondContact O-N 2.93Å; E367-Q370 WeakPolarHBondContact O-CB 2.98Å; E367-Q370 PolarHBondContact O-N 3.17Å; E367-R371 PolarHBondContact O-N 2.81Å |
| 368 | R | 84.3 | Confident | 84.3 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.7 | -173.4 | 175.8 | 179.3 | 149.8 | -0 | 111.9 | L363 D364 N366 Q370 R371 D372 | L363-R368 HydrophobicContact CB-CB 4.26Å; D364-R368 PolarHBondContact O-N 2.73Å; N366-R368 VanDerWaalsContact C-N 3.34Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.5Å; R368-R371 PolarHBondContact O-N 3.34Å; R368-D372 VanDerWaalsContact O-CG 3.32Å; R368-D372 PolarHBondContact O-N 2.9Å |
| 369 | V | 88.2 | Confident | 85.1 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 111 | P365 N366 R373 | P365-V369 VanDerWaalsContact O-CG2 3.32Å; P365-V369 WeakPolarHBondContact O-CG2 3.29Å; P365-V369 PolarHBondContact O-N 2.97Å; P365-V369 VanDerWaalsContact O-N 3.1Å; N366-V369 PolarHBondContact O-N 3.03Å; V369-R373 HydrophobicContact CG1-CG 4.5Å; V369-R373 WeakPolarHBondContact O-CB 3.4Å; V369-R373 VanDerWaalsContact O-CG 3.26Å; V369-R373 WeakPolarHBondContact O-CG 3.4Å; V369-R373 PolarHBondContact O-N 2.91Å |
| 370 | Q | 88.7 | Confident | 86.2 | Confident | 52 Ų | 52 | 77 Ų | 77 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 176.5 | -178.5 | 165 | 15.1 | 0 | 0 | 111.9 | F357 N366 E367 R368 D372 R373 L374 | F357-Q370 HydrophobicContact CE2-CG 4.17Å; F357-Q370 HydrophobicContact CZ-CG 4.19Å; N366-Q370 PolarHBondContact O-N 3.08Å; E367-Q370 WeakPolarHBondContact O-CB 2.98Å; E367-Q370 PolarHBondContact O-N 3.17Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.5Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 3.04Å; Q370-R373 PolarHBondContact O-N 2.96Å; Q370-L374 HydrophobicContact CG-CD1 4.3Å; Q370-L374 HydrophobicContact CG-CG 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.33Å; Q370-L374 PolarHBondContact O-N 3.19Å |
| 371 | R | 89.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.3 | -50.8 | 175 | -177 | -161.3 | 66.1 | -167.8 | -0.6 | 111.3 | L354 F357 E367 R368 R373 L374 M375 | L354-R371 HydrophobicContact CD1-CG 4.06Å; F357-R371 HydrophobicContact CB-CB 3.75Å; F357-R371 HydrophobicContact CB-CG 3.94Å; F357-R371 HydrophobicContact CG-CB 4.39Å; E367-R371 PolarHBondContact O-N 2.81Å; R368-R371 PolarHBondContact O-N 3.34Å; R371-R373 VanDerWaalsContact C-N 3.34Å; R371-R373 PolarHBondContact O-N 3.06Å; R371-L374 PolarHBondContact O-N 2.84Å; R371-M375 HydrophobicContact CG-CE 3.78Å; R371-M375 HydrophobicContact CG-SD 4.18Å; R371-M375 WeakPolarHBondContact O-CG 3.44Å; R371-M375 PolarHBondContact O-N 3.41Å |
| 372 | D | 89.6 | Confident | 88.9 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | -175.6 | -68 | -14.4 | 0 | 0 | 0 | 111.3 | R368 Q370 L374 M375 D376 R410 | R368-D372 VanDerWaalsContact O-CG 3.32Å; R368-D372 PolarHBondContact O-N 2.9Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 3.04Å; D372-L374 PolarHBondContact O-N 3.19Å; D372-M375 PolarHBondContact O-N 2.84Å; D372-D376 PolarHBondContact O-N 2.83Å; D372-R410 PolarHBondContact O-NH2 3.34Å |
| 373 | R | 91.5 | Very high | 89.9 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 174 | -74.7 | 173.5 | 179.8 | 177.8 | 2.3 | 113.3 | V369 Q370 R371 D376 L377 | V369-R373 HydrophobicContact CG1-CG 4.5Å; V369-R373 WeakPolarHBondContact O-CB 3.4Å; V369-R373 VanDerWaalsContact O-CG 3.26Å; V369-R373 WeakPolarHBondContact O-CG 3.4Å; V369-R373 PolarHBondContact O-N 2.91Å; Q370-R373 PolarHBondContact O-N 2.96Å; R371-R373 VanDerWaalsContact C-N 3.34Å; R371-R373 PolarHBondContact O-N 3.06Å; R373-D376 PolarHBondContact O-N 3.04Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.45Å; R373-L377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 93.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 176.9 | -67.2 | -179.8 | 0 | 0 | 0 | 111.4 | L328 I350 I353 L354 F357 Q370 R371 D372 L377 L378 | L328-L374 HydrophobicContact CD2-CD2 3.47Å; L328-L374 VanDerWaalsContact CD2-CD2 3.47Å; I350-L374 HydrophobicContact CG1-CD2 4.29Å; I350-L374 HydrophobicContact CG2-CB 4.2Å; I350-L374 HydrophobicContact CG2-CD2 4.34Å; I353-L374 HydrophobicContact CG2-CD1 3.93Å; L354-L374 HydrophobicContact CD1-CB 3.92Å; L354-L374 HydrophobicContact CD1-CD1 4.27Å; F357-L374 HydrophobicContact CD2-CD1 4.2Å; F357-L374 HydrophobicContact CE2-CD1 4.07Å; Q370-L374 HydrophobicContact CG-CD1 4.3Å; Q370-L374 HydrophobicContact CG-CG 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.33Å; Q370-L374 PolarHBondContact O-N 3.19Å; R371-L374 PolarHBondContact O-N 2.84Å; D372-L374 PolarHBondContact O-N 3.19Å; L374-L377 PolarHBondContact O-N 3.23Å; L374-L378 PolarHBondContact O-N 3.22Å |
| 375 | M | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 172.8 | -73.4 | 178.1 | 178.6 | 0 | 0 | 112.1 | L354 R371 D372 L378 Q379 W397 I400 P407 R410 | L354-M375 HydrophobicContact CD1-CE 4.18Å; L354-M375 HydrophobicContact CD1-CG 4.15Å; L354-M375 HydrophobicContact CD2-CG 4.08Å; R371-M375 HydrophobicContact CG-CE 3.78Å; R371-M375 HydrophobicContact CG-SD 4.18Å; R371-M375 WeakPolarHBondContact O-CG 3.44Å; R371-M375 PolarHBondContact O-N 3.41Å; D372-M375 PolarHBondContact O-N 2.84Å; M375-L378 PolarHBondContact O-N 3.38Å; M375-Q379 WeakPolarHBondContact O-CB 3.47Å; M375-Q379 PolarHBondContact O-N 3.07Å; M375-W397 HydrophobicContact CB-CH2 3.87Å; M375-W397 HydrophobicContact CB-CZ2 4.39Å; M375-W397 HydrophobicContact CG-CH2 3.91Å; M375-W397 HydrophobicContact CG-CZ3 4.39Å; M375-W397 HydrophobicContact SD-CH2 4.44Å; M375-I400 HydrophobicContact CE-CG2 4.49Å; M375-P407 HydrophobicContact CE-CG 3.87Å; M375-P407 HydrophobicContact SD-CG 4.02Å; M375-R410 HydrophobicContact SD-CG 4.3Å |
| 376 | D | 94.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 60 Ų | 60 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176 | -68.5 | -29.4 | 0 | 0 | 0 | 111.6 | D372 R373 L378 Q379 E380 R410 | D372-D376 PolarHBondContact O-N 2.83Å; R373-D376 PolarHBondContact O-N 3.04Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.82Å; D376-Q379 WeakPolarHBondContact O-CB 3.34Å; D376-Q379 PolarHBondContact O-N 3.44Å; D376-E380 PolarHBondContact O-N 3.27Å; D376-R410 IonicContact OD1-CZ 2.74Å; D376-R410 IonicContact OD1-NH1 3.02Å; D376-R410 PolarHBondContact OD1-NH1 3.03Å; D376-R410 IonicContact OD1-NH2 3.7Å; D376-R410 PolarHBondContact OD1-NH2 3.03Å; D376-R410 IonicContact OD2-NH2 3.97Å |
| 377 | L | 93.4 | Very high | 92.2 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.6 | -70.6 | 171.5 | 0 | 0 | 0 | 111.3 | L335 I350 R373 L374 Q379 E380 H381 | L335-L377 HydrophobicContact CD1-CD1 4.32Å; L335-L377 HydrophobicContact CD1-CD2 4.18Å; I350-L377 HydrophobicContact CD1-CB 4.38Å; I350-L377 HydrophobicContact CD1-CD1 4.22Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.45Å; R373-L377 VanDerWaalsContact O-N 3.1Å; L374-L377 PolarHBondContact O-N 3.23Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 2.81Å; L377-E380 PolarHBondContact O-N 3.21Å; L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 3.45Å |
| 378 | L | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 178.6 | -168 | 64.9 | 0 | 0 | 0 | 112.4 | L347 L354 L374 M375 D376 A393 I396 W397 | L347-L378 HydrophobicContact CD2-CD1 4.07Å; L354-L378 HydrophobicContact CD2-CD2 4.41Å; L374-L378 PolarHBondContact O-N 3.22Å; M375-L378 PolarHBondContact O-N 3.38Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.82Å; L378-A393 HydrophobicContact CD1-CB 3.96Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.9Å; L378-I396 HydrophobicContact CD1-CG2 4.07Å; L378-I396 HydrophobicContact CD2-CB 4.05Å; L378-I396 HydrophobicContact CD2-CG2 3.59Å; L378-W397 HydrophobicContact CB-CZ2 4.24Å; L378-W397 HydrophobicContact CD2-CD2 3.7Å; L378-W397 HydrophobicContact CD2-CE3 4.35Å; L378-W397 HydrophobicContact CD2-CG 3.81Å; L378-W397 HydrophobicContact CD2-CZ2 4.16Å; L378-W397 HydrophobicContact CG-CD2 4.36Å; L378-W397 HydrophobicContact CG-CG 4.31Å; L378-W397 HydrophobicContact CG-CZ2 4.37Å |
| 379 | Q | 95.4 | Very high | 93.2 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.7 | -165.5 | -174.1 | -59.2 | 0 | 0 | 112.1 | M375 D376 L377 H381 I382 H383 W397 L417 | M375-Q379 WeakPolarHBondContact O-CB 3.47Å; M375-Q379 PolarHBondContact O-N 3.07Å; D376-Q379 WeakPolarHBondContact O-CB 3.34Å; D376-Q379 PolarHBondContact O-N 3.44Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 2.81Å; Q379-H381 VanDerWaalsContact C-N 3.3Å; Q379-H381 PolarHBondContact O-N 3.49Å; Q379-I382 WeakPolarHBondContact O-CB 3.13Å; Q379-I382 PolarHBondContact O-N 2.94Å; Q379-H383 PolarHBondContact O-ND1 3.29Å; Q379-W397 HydrophobicContact CB-CZ2 4.29Å; Q379-L417 HydrophobicContact CG-CD1 3.27Å |
| 380 | E | 94.2 | Very high | 93.6 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | 176.7 | -175.4 | 170.9 | -172.9 | 0 | 0 | 111.1 | D376 L377 I382 H383 | D376-E380 PolarHBondContact O-N 3.27Å; L377-E380 PolarHBondContact O-N 3.21Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.05Å; E380-H383 PolarHBondContact O-N 2.99Å |
| 381 | H | 95.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -78.1 | -0.3 | -179.7 | -70.1 | -71.8 | 0 | 0 | 0 | 115.5 | L347 L377 Q379 H383 D384 V389 R390 A393 | L347-H381 HydrophobicContact CD1-CB 3.97Å; L347-H381 HydrophobicContact CD2-CB 4.14Å; L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 3.45Å; Q379-H381 VanDerWaalsContact C-N 3.3Å; Q379-H381 PolarHBondContact O-N 3.49Å; H381-H383 PolarHBondContact O-N 2.97Å; H381-D384 IonicContact CE1-OD2 3.68Å; H381-D384 IonicContact ND1-OD2 3.82Å; H381-D384 PolarHBondContact ND1-OD2 2.91Å; H381-D384 PolarHBondContact O-N 2.92Å; H381-V389 HydrophobicContact CB-CG1 4.17Å; H381-R390 WeakPolarHBondContact O-CA 3.48Å; H381-A393 HydrophobicContact CB-CB 4.18Å |
| 382 | I | 96.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -65 | -26.9 | 160.9 | -64.8 | 176.4 | 0 | 0 | 0 | 110.1 | Q379 E380 R390 A393 L394 L414 L417 A424 | Q379-I382 WeakPolarHBondContact O-CB 3.13Å; Q379-I382 PolarHBondContact O-N 2.94Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.05Å; I382-R390 WeakPolarHBondContact O-CD 3.22Å; I382-R390 WeakPolarHBondContact O-CG 3.41Å; I382-A393 HydrophobicContact CG1-CB 4.39Å; I382-L394 HydrophobicContact CD1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.28Å; I382-L414 HydrophobicContact CD1-CD1 4.08Å; I382-L417 HydrophobicContact CD1-CB 4.46Å; I382-L417 HydrophobicContact CD1-CD1 4.11Å; I382-A424 HydrophobicContact CG2-CB 4.29Å |
| 383 | H | 93.7 | Very high | 94.8 | Very high | 120 Ų | 120 | 50 Ų | 50 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -102.1 | 19.1 | -179.4 | -53.1 | 86.2 | 0 | 0 | 0 | 112.8 | Q379 E380 H381 | Q379-H383 PolarHBondContact O-ND1 3.29Å; E380-H383 PolarHBondContact O-N 2.99Å; H381-H383 PolarHBondContact O-N 2.97Å |
| 384 | D | 95.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | trans | -62.3 | 148.8 | 178.1 | -162.5 | -74.7 | 0 | 0 | 0 | 111.2 | R343 H381 N386 V389 R390 | R343-D384 IonicContact CZ-OD1 3.59Å; R343-D384 IonicContact CZ-OD2 3.83Å; R343-D384 IonicContact NE-OD1 2.96Å; R343-D384 IonicContact NE-OD2 3.84Å; R343-D384 PolarHBondContact NE-OD2 3.39Å; R343-D384 IonicContact NH2-OD1 2.88Å; R343-D384 PolarHBondContact NH2-OD1 3.43Å; R343-D384 IonicContact NH2-OD2 2.59Å; H381-D384 IonicContact CE1-OD2 3.68Å; H381-D384 IonicContact ND1-OD2 3.82Å; H381-D384 PolarHBondContact ND1-OD2 2.91Å; H381-D384 PolarHBondContact O-N 2.92Å; D384-N386 PolarHBondContact O-N 3.27Å; D384-N386 PolarHBondContact OD1-N 3Å; D384-V389 HydrophobicContact CB-CB 3.86Å; D384-V389 HydrophobicContact CB-CG1 3.85Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.24Å; D384-R390 HydrophobicContact CB-CG 3.88Å; D384-R390 WeakPolarHBondContact O-CD 3.19Å; D384-R390 WeakPolarHBondContact O-CG 3.42Å; D384-R390 PolarHBondContact O-NE 3.31Å | ||
| 385 | V | 91.8 | Very high | 95.4 | Very high | 136 Ų | 136 | 46.1 Ų | 46.1 | 82% | 0.824 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -65.1 | -27.2 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 386 | N | 92.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -97.8 | 124.4 | -176.4 | -171.7 | -56.3 | 0 | 0 | 0 | 111.5 | Y340 D384 Y388 V389 R390 | Y340-N386 WeakPolarHBondContact CD1-ND2 3.38Å; D384-N386 PolarHBondContact O-N 3.27Å; D384-N386 PolarHBondContact OD1-N 3Å; N386-Y388 VanDerWaalsContact C-N 3.27Å; N386-Y388 PolarHBondContact O-N 3.15Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.29Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.33Å; N386-Y388 PolarHBondContact OD1-N 3.33Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 2.95Å; N386-R390 PolarHBondContact O-N 2.86Å |
| 387 | G | 94 | Very high | 95.8 | Very high | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -30.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A391 | G387-A391 VanDerWaalsContact O-CB 3.31Å; G387-A391 WeakPolarHBondContact O-CB 3.23Å; G387-A391 PolarHBondContact O-N 3.34Å |
| 388 | Y | 94.9 | Very high | 95.9 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 58% | 0.58 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -70.7 | -32.6 | 176.5 | -65.4 | -71.9 | 0 | 0 | 0 | 112.4 | Y340 N386 K392 | Y340-Y388 HydrophobicContact CD2-CD2 4.41Å; Y340-Y388 HydrophobicContact CD2-CG 4.44Å; Y340-Y388 HydrophobicContact CE2-CD2 4.07Å; Y340-Y388 HydrophobicContact CE2-CG 4.18Å; N386-Y388 VanDerWaalsContact C-N 3.27Å; N386-Y388 PolarHBondContact O-N 3.15Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.29Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.33Å; N386-Y388 PolarHBondContact OD1-N 3.33Å; Y388-K392 WeakPolarHBondContact O-CB 3.32Å; Y388-K392 PolarHBondContact O-N 3.25Å |
| 389 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.6 | -44.8 | 178 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | Y340 R343 N344 L347 H381 D384 N386 A391 K392 A393 | Y340-V389 VanDerWaalsContact CB-CG2 3.49Å; R343-V389 HydrophobicContact CB-CG1 4.41Å; R343-V389 HydrophobicContact CB-CG2 4.37Å; N344-V389 VanDerWaalsContact OD1-CA 3.29Å; N344-V389 WeakPolarHBondContact OD1-CA 3.23Å; L347-V389 HydrophobicContact CD1-CG1 3.47Å; L347-V389 VanDerWaalsContact CD1-CG1 3.47Å; H381-V389 HydrophobicContact CB-CG1 4.17Å; D384-V389 HydrophobicContact CB-CB 3.86Å; D384-V389 HydrophobicContact CB-CG1 3.85Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.24Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 2.95Å; V389-A391 PolarHBondContact O-N 2.99Å; V389-K392 WeakPolarHBondContact O-CB 3.44Å; V389-K392 PolarHBondContact O-N 2.9Å; V389-K392 VanDerWaalsContact O-N 3.16Å; V389-A393 PolarHBondContact O-N 2.96Å |
| 390 | R | 97.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 45 Ų | 45 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 173.9 | -62.5 | -170.6 | -72.7 | 168 | 11.8 | 111.9 | H381 I382 D384 N386 K392 A393 L394 D427 A432 | H381-R390 WeakPolarHBondContact O-CA 3.48Å; I382-R390 WeakPolarHBondContact O-CD 3.22Å; I382-R390 WeakPolarHBondContact O-CG 3.41Å; D384-R390 HydrophobicContact CB-CG 3.88Å; D384-R390 WeakPolarHBondContact O-CD 3.19Å; D384-R390 WeakPolarHBondContact O-CG 3.42Å; D384-R390 PolarHBondContact O-NE 3.31Å; N386-R390 PolarHBondContact O-N 2.86Å; R390-K392 VanDerWaalsContact C-N 3.29Å; R390-K392 PolarHBondContact O-N 3.47Å; R390-A393 PolarHBondContact O-N 3.27Å; R390-L394 WeakPolarHBondContact O-CB 3.42Å; R390-L394 WeakPolarHBondContact O-CD1 3.15Å; R390-L394 VanDerWaalsContact O-CG 3.31Å; R390-L394 WeakPolarHBondContact O-CG 3.17Å; R390-L394 PolarHBondContact O-N 3.11Å; R390-D427 VanDerWaalsContact CZ-CG 3.44Å; R390-D427 IonicContact CZ-OD1 3.07Å; R390-D427 VanDerWaalsContact CZ-OD1 3.24Å; R390-D427 IonicContact CZ-OD2 2.66Å; R390-D427 IonicContact NE-OD2 2.71Å; R390-D427 IonicContact NH1-OD1 3.88Å; R390-D427 IonicContact NH1-OD2 2.8Å; R390-D427 PolarHBondContact NH1-OD2 3.24Å; R390-D427 VanDerWaalsContact NH2-CG 3.3Å; R390-D427 IonicContact NH2-OD1 2.67Å; R390-D427 PolarHBondContact NH2-OD1 3.5Å; R390-D427 IonicContact NH2-OD2 3.7Å; R390-D427 PolarHBondContact NH2-OD2 3.43Å; R390-A432 HydrophobicContact CB-CB 4.46Å |
| 391 | A | 98.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G387 V389 Q395 A432 | G387-A391 VanDerWaalsContact O-CB 3.31Å; G387-A391 WeakPolarHBondContact O-CB 3.23Å; G387-A391 PolarHBondContact O-N 3.34Å; V389-A391 PolarHBondContact O-N 2.99Å; A391-Q395 VanDerWaalsContact O-CB 3.31Å; A391-Q395 WeakPolarHBondContact O-CB 3.4Å; A391-Q395 PolarHBondContact O-N 3.42Å; A391-A432 HydrophobicContact CB-CB 4.33Å |
| 392 | K | 97.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 24% | 0.235 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.4 | -174.8 | 61.7 | -178.5 | 177.1 | 0 | 112.2 | N344 L347 Y388 V389 R390 Q395 I396 | N344-K392 HydrophobicContact CB-CG 4.44Å; N344-K392 WeakPolarHBondContact OD1-CB 3.38Å; L347-K392 HydrophobicContact CB-CG 4.29Å; Y388-K392 WeakPolarHBondContact O-CB 3.32Å; Y388-K392 PolarHBondContact O-N 3.25Å; V389-K392 WeakPolarHBondContact O-CB 3.44Å; V389-K392 PolarHBondContact O-N 2.9Å; V389-K392 VanDerWaalsContact O-N 3.16Å; R390-K392 VanDerWaalsContact C-N 3.29Å; R390-K392 PolarHBondContact O-N 3.47Å; K392-Q395 PolarHBondContact O-N 3.43Å; K392-I396 HydrophobicContact CG-CD1 4.19Å; K392-I396 WeakPolarHBondContact O-CD1 3.32Å; K392-I396 VanDerWaalsContact O-CG1 3.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.25Å; K392-I396 PolarHBondContact O-N 2.93Å |
| 393 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L347 L378 H381 I382 V389 R390 I396 W397 | L347-A393 HydrophobicContact CD1-CB 4.34Å; L378-A393 HydrophobicContact CD1-CB 3.96Å; H381-A393 HydrophobicContact CB-CB 4.18Å; I382-A393 HydrophobicContact CG1-CB 4.39Å; V389-A393 PolarHBondContact O-N 2.96Å; R390-A393 PolarHBondContact O-N 3.27Å; A393-I396 PolarHBondContact O-N 3.42Å; A393-W397 VanDerWaalsContact O-CD1 3.3Å; A393-W397 PolarHBondContact O-N 3.45Å |
| 394 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.7 | -68.1 | 162.6 | 0 | 0 | 0 | 112.2 | I382 R390 I396 W397 H398 L418 A424 A432 N435 A436 T439 | I382-L394 HydrophobicContact CD1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.28Å; R390-L394 WeakPolarHBondContact O-CB 3.42Å; R390-L394 WeakPolarHBondContact O-CD1 3.15Å; R390-L394 VanDerWaalsContact O-CG 3.31Å; R390-L394 WeakPolarHBondContact O-CG 3.17Å; R390-L394 PolarHBondContact O-N 3.11Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.46Å; L394-W397 WeakPolarHBondContact O-CB 3.37Å; L394-W397 PolarHBondContact O-N 2.92Å; L394-H398 PolarHBondContact O-N 3.45Å; L394-L418 HydrophobicContact CD2-CD2 3.48Å; L394-L418 VanDerWaalsContact CD2-CD2 3.48Å; L394-A424 HydrophobicContact CD1-CB 3.84Å; L394-A424 HydrophobicContact CD2-CB 3.94Å; L394-A432 HydrophobicContact CD1-CB 3.93Å; L394-A432 WeakPolarHBondContact CD1-O 3.26Å; L394-N435 HydrophobicContact CB-CB 3.67Å; L394-A436 HydrophobicContact CD1-CB 4.28Å; L394-A436 HydrophobicContact CD2-CB 4.33Å; L394-T439 PolarHBondContact O-OG1 3.26Å |
| 395 | Q | 98.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.9 | -179.8 | -175.4 | 53.8 | 0 | 0 | 111.7 | A391 K392 H398 N399 | A391-Q395 VanDerWaalsContact O-CB 3.31Å; A391-Q395 WeakPolarHBondContact O-CB 3.4Å; A391-Q395 PolarHBondContact O-N 3.42Å; K392-Q395 PolarHBondContact O-N 3.43Å; Q395-H398 PolarHBondContact O-N 3.44Å; Q395-N399 VanDerWaalsContact O-CG 3.26Å; Q395-N399 PolarHBondContact O-N 3.46Å; Q395-N399 PolarHBondContact O-OD1 3.28Å |
| 396 | I | 97.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 177.3 | -63.6 | 158.2 | 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 3.42Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.9Å; L378-I396 HydrophobicContact CD1-CG2 4.07Å; L378-I396 HydrophobicContact CD2-CB 4.05Å; L378-I396 HydrophobicContact CD2-CG2 3.59Å; K392-I396 HydrophobicContact CG-CD1 4.19Å; K392-I396 WeakPolarHBondContact O-CD1 3.32Å; K392-I396 VanDerWaalsContact O-CG1 3.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.25Å; K392-I396 PolarHBondContact O-N 2.93Å; A393-I396 PolarHBondContact O-N 3.42Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.46Å; I396-H398 PolarHBondContact O-N 3.13Å; I396-N399 PolarHBondContact O-N 3.24Å; I396-N399 VanDerWaalsContact O-N 3.15Å; I396-I400 HydrophobicContact CG2-CG1 4.39Å; I396-I400 WeakPolarHBondContact O-CG1 3.35Å; I396-I400 PolarHBondContact O-N 3.15Å |
| 397 | W | 96.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 173.4 | -84.1 | 116.8 | 0 | 0 | 0 | 112.2 | M375 L378 Q379 A393 L394 N399 I400 V401 L406 L414 T439 | M375-W397 HydrophobicContact CB-CH2 3.87Å; M375-W397 HydrophobicContact CB-CZ2 4.39Å; M375-W397 HydrophobicContact CG-CH2 3.91Å; M375-W397 HydrophobicContact CG-CZ3 4.39Å; M375-W397 HydrophobicContact SD-CH2 4.44Å; L378-W397 HydrophobicContact CB-CZ2 4.24Å; L378-W397 HydrophobicContact CD2-CD2 3.7Å; L378-W397 HydrophobicContact CD2-CE3 4.35Å; L378-W397 HydrophobicContact CD2-CG 3.81Å; L378-W397 HydrophobicContact CD2-CZ2 4.16Å; L378-W397 HydrophobicContact CG-CD2 4.36Å; L378-W397 HydrophobicContact CG-CG 4.31Å; L378-W397 HydrophobicContact CG-CZ2 4.37Å; Q379-W397 HydrophobicContact CB-CZ2 4.29Å; A393-W397 VanDerWaalsContact O-CD1 3.3Å; A393-W397 PolarHBondContact O-N 3.45Å; L394-W397 WeakPolarHBondContact O-CB 3.37Å; L394-W397 PolarHBondContact O-N 2.92Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.45Å; W397-I400 PolarHBondContact O-N 3.2Å; W397-I400 VanDerWaalsContact O-N 3.12Å; W397-V401 WeakPolarHBondContact O-CG2 3.12Å; W397-V401 PolarHBondContact O-N 2.99Å; W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CZ3-CD1 3.65Å; W397-L414 HydrophobicContact CB-CD2 4.43Å; W397-L414 HydrophobicContact CD2-CD1 3.85Å; W397-L414 HydrophobicContact CD2-CD2 3.98Å; W397-L414 HydrophobicContact CE3-CD1 4.29Å; W397-L414 HydrophobicContact CE3-CD2 3.64Å; W397-L414 HydrophobicContact CG-CD1 3.98Å; W397-L414 HydrophobicContact CG-CD2 4.36Å; W397-L414 HydrophobicContact CZ3-CD2 4.2Å; W397-T439 HydrophobicContact CB-CG2 4.15Å |
| 398 | H | 96.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 18% | 0.181 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.1 | -48.4 | 173.2 | 170.3 | -107.6 | 0 | 0 | 0 | 111.5 | L394 Q395 I396 I400 V401 V402 K438 T439 | L394-H398 PolarHBondContact O-N 3.45Å; Q395-H398 PolarHBondContact O-N 3.44Å; I396-H398 PolarHBondContact O-N 3.13Å; H398-I400 VanDerWaalsContact C-N 3.35Å; H398-I400 PolarHBondContact O-N 3.35Å; H398-V401 WeakPolarHBondContact O-CB 3.06Å; H398-V401 PolarHBondContact O-N 3.11Å; H398-V402 WeakPolarHBondContact NE2-CG2 3.34Å; H398-V402 WeakPolarHBondContact O-CG2 3.31Å; H398-V402 PolarHBondContact O-N 2.61Å; H398-K438 PolarHBondContact CD2-O 3.31Å; H398-T439 WeakPolarHBondContact CB-OG1 3.32Å; H398-T439 PolarHBondContact N-OG1 3.36Å |
| 399 | N | 94.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.9 | -67.3 | -11 | 0 | 0 | 0 | 112.3 | Q395 I396 W397 V401 V402 L403 | Q395-N399 VanDerWaalsContact O-CG 3.26Å; Q395-N399 PolarHBondContact O-N 3.46Å; Q395-N399 PolarHBondContact O-OD1 3.28Å; I396-N399 PolarHBondContact O-N 3.24Å; I396-N399 VanDerWaalsContact O-N 3.15Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.45Å; N399-V401 VanDerWaalsContact C-N 3.33Å; N399-V402 PolarHBondContact O-N 3.3Å; N399-L403 WeakPolarHBondContact O-CB 3.19Å; N399-L403 WeakPolarHBondContact O-CD1 3.45Å; N399-L403 WeakPolarHBondContact O-CG 3.47Å; N399-L403 PolarHBondContact O-N 3.31Å |
| 400 | I | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.6 | -66.4 | -61.2 | 0 | 0 | 0 | 111 | L354 P355 A358 M375 I396 W397 H398 G405 | L354-I400 HydrophobicContact CB-CD1 4.1Å; L354-I400 HydrophobicContact CD2-CD1 3.77Å; L354-I400 HydrophobicContact CD2-CG1 3.83Å; L354-I400 HydrophobicContact CG-CD1 3.73Å; L354-I400 HydrophobicContact CG-CG1 4.35Å; P355-I400 HydrophobicContact CG-CD1 4.04Å; A358-I400 HydrophobicContact CB-CD1 4.28Å; M375-I400 HydrophobicContact CE-CG2 4.49Å; I396-I400 HydrophobicContact CG2-CG1 4.39Å; I396-I400 WeakPolarHBondContact O-CG1 3.35Å; I396-I400 PolarHBondContact O-N 3.15Å; W397-I400 PolarHBondContact O-N 3.2Å; W397-I400 VanDerWaalsContact O-N 3.12Å; H398-I400 VanDerWaalsContact C-N 3.35Å; H398-I400 PolarHBondContact O-N 3.35Å; I400-G405 WeakPolarHBondContact O-CA 3.49Å; I400-G405 PolarHBondContact O-N 3.47Å |
| 401 | V | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -61.4 | 173.7 | 176 | 0 | 0 | 0 | 0 | 108.7 | W397 H398 N399 L403 G404 L406 L414 T439 A442 M443 Q446 | W397-V401 WeakPolarHBondContact O-CG2 3.12Å; W397-V401 PolarHBondContact O-N 2.99Å; H398-V401 WeakPolarHBondContact O-CB 3.06Å; H398-V401 PolarHBondContact O-N 3.11Å; N399-V401 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 3.38Å; V401-G404 WeakPolarHBondContact O-CA 3.26Å; V401-G404 PolarHBondContact O-N 3.21Å; V401-L406 HydrophobicContact CG2-CB 4.23Å; V401-L406 HydrophobicContact CG2-CD2 3.88Å; V401-L414 HydrophobicContact CG2-CD2 4.25Å; V401-T439 HydrophobicContact CG2-CG2 4.01Å; V401-A442 HydrophobicContact CB-CB 4.41Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V401-M443 HydrophobicContact CB-CG 4.45Å; V401-M443 HydrophobicContact CG1-CB 4.41Å; V401-M443 HydrophobicContact CG1-CG 3.79Å; V401-M443 HydrophobicContact CG2-CG 3.76Å; V401-Q446 PolarHBondContact O-NE2 3.48Å; V401-Q446 PolarHBondContact O-OE1 3Å |
| 402 | V | 91.6 | Very high | 90.6 | Very high | 83 Ų | 83 | 32.2 Ų | 32.2 | 50% | 0.503 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -50.8 | -35.5 | -178.4 | 171.1 | 0 | 0 | 0 | 0 | 113.3 | H398 N399 G404 A442 | H398-V402 WeakPolarHBondContact NE2-CG2 3.34Å; H398-V402 WeakPolarHBondContact O-CG2 3.31Å; H398-V402 PolarHBondContact O-N 2.61Å; N399-V402 PolarHBondContact O-N 3.3Å; V402-G404 PolarHBondContact O-N 3.21Å; V402-A442 HydrophobicContact CG2-CB 4.06Å |
| 403 | L | 88.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3.4 | 176.9 | -71.4 | 172.7 | 0 | 0 | 0 | 115 | P355 K359 N399 V401 G405 | P355-L403 HydrophobicContact CB-CD1 4.3Å; P355-L403 HydrophobicContact CG-CD1 4.18Å; K359-L403 WeakPolarHBondContact CE-O 3.35Å; N399-L403 WeakPolarHBondContact O-CB 3.19Å; N399-L403 WeakPolarHBondContact O-CD1 3.45Å; N399-L403 WeakPolarHBondContact O-CG 3.47Å; N399-L403 PolarHBondContact O-N 3.31Å; V401-L403 PolarHBondContact O-N 3.38Å; L403-G405 VanDerWaalsContact C-N 3.28Å |
| 404 | G | 85.2 | Confident | 90.1 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 21.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V401 V402 | V401-G404 WeakPolarHBondContact O-CA 3.26Å; V401-G404 PolarHBondContact O-N 3.21Å; V402-G404 PolarHBondContact O-N 3.21Å |
| 405 | G | 85.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -94.6 | -0.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I400 L403 P407 | I400-G405 WeakPolarHBondContact O-CA 3.49Å; I400-G405 PolarHBondContact O-N 3.47Å; L403-G405 VanDerWaalsContact C-N 3.28Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å | ||
| 406 | L | 88.6 | Confident | 89.7 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | trans | -79 | 113.5 | -179.5 | -178.5 | 64.6 | 0 | 0 | 0 | 110.2 | W397 V401 R410 Q411 L414 M443 | W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CZ3-CD1 3.65Å; V401-L406 HydrophobicContact CG2-CB 4.23Å; V401-L406 HydrophobicContact CG2-CD2 3.88Å; L406-R410 HydrophobicContact CD1-CB 3.75Å; L406-Q411 HydrophobicContact CD2-CB 4.49Å; L406-Q411 HydrophobicContact CD2-CG 3.83Å; L406-Q411 HydrophobicContact CG-CG 4.13Å; L406-L414 HydrophobicContact CD1-CD2 4.1Å; L406-L414 HydrophobicContact CD2-CD2 3.95Å; L406-M443 HydrophobicContact CD2-CE 3.88Å; L406-M443 HydrophobicContact CD2-CG 4.15Å; L406-M443 HydrophobicContact CD2-SD 4.39Å | ||
| 407 | P | 82.6 | Confident | 89.7 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | trans | -64.3 | 141.6 | 177.9 | -20.3 | 34.1 | 0 | 0 | 0 | 110.6 | M375 G405 S409 R410 Q411 | M375-P407 HydrophobicContact CE-CG 3.87Å; M375-P407 HydrophobicContact SD-CG 4.02Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å; P407-S409 PolarHBondContact O-N 3.45Å; P407-S409 VanDerWaalsContact O-N 3.12Å; P407-R410 HydrophobicContact CB-CG 4.47Å; P407-R410 HydrophobicContact CG-CG 4.48Å; P407-R410 WeakPolarHBondContact O-CA 3.48Å; P407-R410 WeakPolarHBondContact O-CB 3.31Å; P407-R410 PolarHBondContact O-N 3.3Å; P407-Q411 PolarHBondContact O-N 2.96Å | ||
| 408 | I | 75.7 | Confident | 89.8 | Confident | 60 Ų | 60 | 34.1 Ų | 34.1 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -47.9 | -44.2 | 176.6 | -67.7 | 169 | 0 | 0 | 0 | 111.9 | R410 Q411 V607 Y661 | I408-R410 PolarHBondContact O-N 3.43Å; I408-Q411 PolarHBondContact O-N 3.41Å; I408-Q411 VanDerWaalsContact O-N 3.07Å; I408-V607 HydrophobicContact CD1-CG2 4.11Å; I408-Y661 HydrophobicContact CD1-CE2 4.22Å; I408-Y661 HydrophobicContact CG2-CD2 3.58Å; I408-Y661 HydrophobicContact CG2-CE2 3.38Å |
| 409 | S | 77.2 | Confident | 89.7 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -4.4 | 179.1 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | P407 | P407-S409 PolarHBondContact O-N 3.45Å; P407-S409 VanDerWaalsContact O-N 3.12Å |
| 410 | R | 87.6 | Confident | 89.7 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -114.2 | -10.3 | 178.1 | -68.1 | -78.1 | -175.4 | 175.9 | 0.4 | 112.6 | D372 M375 D376 L406 P407 I408 K413 L414 | D372-R410 PolarHBondContact O-NH2 3.34Å; M375-R410 HydrophobicContact SD-CG 4.3Å; D376-R410 IonicContact OD1-CZ 2.74Å; D376-R410 IonicContact OD1-NH1 3.02Å; D376-R410 PolarHBondContact OD1-NH1 3.03Å; D376-R410 IonicContact OD1-NH2 3.7Å; D376-R410 PolarHBondContact OD1-NH2 3.03Å; D376-R410 IonicContact OD2-NH2 3.97Å; L406-R410 HydrophobicContact CD1-CB 3.75Å; P407-R410 HydrophobicContact CB-CG 4.47Å; P407-R410 HydrophobicContact CG-CG 4.48Å; P407-R410 WeakPolarHBondContact O-CA 3.48Å; P407-R410 WeakPolarHBondContact O-CB 3.31Å; P407-R410 PolarHBondContact O-N 3.3Å; I408-R410 PolarHBondContact O-N 3.43Å; R410-K413 PolarHBondContact O-N 3.28Å; R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 PolarHBondContact O-N 3.23Å |
| 411 | Q | 88.1 | Confident | 89.5 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -56.4 | -177.4 | -71.5 | 174.3 | -9.8 | 0 | 0 | 111.9 | L406 P407 I408 K413 L414 A415 M443 C447 F668 | L406-Q411 HydrophobicContact CD2-CB 4.49Å; L406-Q411 HydrophobicContact CD2-CG 3.83Å; L406-Q411 HydrophobicContact CG-CG 4.13Å; P407-Q411 PolarHBondContact O-N 2.96Å; I408-Q411 PolarHBondContact O-N 3.41Å; I408-Q411 VanDerWaalsContact O-N 3.07Å; Q411-K413 VanDerWaalsContact C-N 3.34Å; Q411-K413 PolarHBondContact O-N 3.45Å; Q411-L414 PolarHBondContact O-N 3.44Å; Q411-A415 WeakPolarHBondContact O-CB 3.46Å; Q411-A415 PolarHBondContact O-N 3.26Å; Q411-M443 VanDerWaalsContact O-CE 3.24Å; Q411-M443 WeakPolarHBondContact O-CE 3.49Å; Q411-C447 PolarHBondContact NE2-SG 3.44Å; Q411-C447 VanDerWaalsContact NE2-SG 3.44Å; Q411-C447 PolarHBondContact OE1-SG 2.88Å; Q411-F668 HydrophobicContact CB-CD2 4.43Å |
| 412 | S | 88.7 | Confident | 89.4 | Confident | 8 Ų | 8 | 45 Ų | 45 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 176.9 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | L414 A415 A416 E664 S667 | S412-L414 PolarHBondContact O-N 3.47Å; S412-A415 PolarHBondContact O-N 3.1Å; S412-A416 WeakPolarHBondContact O-CB 3.32Å; S412-A416 PolarHBondContact O-N 3.48Å; S412-E664 WeakPolarHBondContact CB-OE2 3.31Å; S412-S667 WeakPolarHBondContact OG-CB 3.04Å; S412-S667 PolarHBondContact OG-OG 3.19Å; S412-S667 VanDerWaalsContact OG-OG 3.13Å |
| 413 | K | 91.2 | Very high | 89.6 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 179.5 | -65.5 | 179.2 | -178 | 174.7 | 0 | 113.1 | R410 Q411 L417 | R410-K413 PolarHBondContact O-N 3.28Å; Q411-K413 VanDerWaalsContact C-N 3.34Å; Q411-K413 PolarHBondContact O-N 3.45Å; K413-L417 WeakPolarHBondContact O-CG 3.49Å |
| 414 | L | 94.4 | Very high | 90 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.8 | -44.8 | 177.4 | -178.9 | 59.7 | 0 | 0 | 0 | 110.2 | I382 W397 V401 L406 R410 Q411 S412 A416 L417 L418 T439 M443 | I382-L414 HydrophobicContact CD1-CD1 4.08Å; W397-L414 HydrophobicContact CB-CD2 4.43Å; W397-L414 HydrophobicContact CD2-CD1 3.85Å; W397-L414 HydrophobicContact CD2-CD2 3.98Å; W397-L414 HydrophobicContact CE3-CD1 4.29Å; W397-L414 HydrophobicContact CE3-CD2 3.64Å; W397-L414 HydrophobicContact CG-CD1 3.98Å; W397-L414 HydrophobicContact CG-CD2 4.36Å; W397-L414 HydrophobicContact CZ3-CD2 4.2Å; V401-L414 HydrophobicContact CG2-CD2 4.25Å; L406-L414 HydrophobicContact CD1-CD2 4.1Å; L406-L414 HydrophobicContact CD2-CD2 3.95Å; R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 PolarHBondContact O-N 3.23Å; Q411-L414 PolarHBondContact O-N 3.44Å; S412-L414 PolarHBondContact O-N 3.47Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 2.99Å; L414-L417 WeakPolarHBondContact O-CB 3.3Å; L414-L417 PolarHBondContact O-N 3.22Å; L414-L418 HydrophobicContact CG-CD1 4.25Å; L414-L418 WeakPolarHBondContact O-CG 3.36Å; L414-L418 PolarHBondContact O-N 3.36Å; L414-T439 HydrophobicContact CD2-CG2 4.03Å; L414-M443 HydrophobicContact CB-CE 4.12Å; L414-M443 HydrophobicContact CD2-CE 4.26Å; L414-M443 HydrophobicContact CD2-SD 3.8Å; L414-M443 HydrophobicContact CG-CE 4.29Å; L414-M443 HydrophobicContact CG-SD 4.03Å |
| 415 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q411 S412 L417 L418 V419 M443 F668 H671 | Q411-A415 WeakPolarHBondContact O-CB 3.46Å; Q411-A415 PolarHBondContact O-N 3.26Å; S412-A415 PolarHBondContact O-N 3.1Å; A415-L417 PolarHBondContact O-N 2.85Å; A415-L417 VanDerWaalsContact O-N 3.14Å; A415-L418 PolarHBondContact O-N 3.16Å; A415-V419 WeakPolarHBondContact O-CG2 3.26Å; A415-V419 PolarHBondContact O-N 2.89Å; A415-V419 VanDerWaalsContact O-N 3.16Å; A415-M443 HydrophobicContact CB-CE 4.05Å; A415-F668 HydrophobicContact CB-CD2 3.67Å; A415-F668 HydrophobicContact CB-CE2 3.77Å; A415-H671 HydrophobicContact CB-CB 3.83Å |
| 416 | A | 94.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.6 | -24.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S412 L414 H671 | S412-A416 WeakPolarHBondContact O-CB 3.32Å; S412-A416 PolarHBondContact O-N 3.48Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 2.99Å; A416-H671 WeakPolarHBondContact CB-NE2 3.43Å |
| 417 | L | 96.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -89.7 | -16 | 177.2 | -62.3 | 175.9 | 0 | 0 | 0 | 113 | Q379 I382 K413 L414 A415 G423 A424 | Q379-L417 HydrophobicContact CG-CD1 3.27Å; I382-L417 HydrophobicContact CD1-CB 4.46Å; I382-L417 HydrophobicContact CD1-CD1 4.11Å; K413-L417 WeakPolarHBondContact O-CG 3.49Å; L414-L417 WeakPolarHBondContact O-CB 3.3Å; L414-L417 PolarHBondContact O-N 3.22Å; A415-L417 PolarHBondContact O-N 2.85Å; A415-L417 VanDerWaalsContact O-N 3.14Å; L417-G423 WeakPolarHBondContact O-CA 3.42Å; L417-A424 PolarHBondContact O-N 2.89Å |
| 418 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -91.3 | -40 | -178.9 | -60.4 | 179 | 0 | 0 | 0 | 111.6 | L394 L414 A415 G423 A424 M425 A436 T439 L440 M443 | L394-L418 HydrophobicContact CD2-CD2 3.48Å; L394-L418 VanDerWaalsContact CD2-CD2 3.48Å; L414-L418 HydrophobicContact CG-CD1 4.25Å; L414-L418 WeakPolarHBondContact O-CG 3.36Å; L414-L418 PolarHBondContact O-N 3.36Å; A415-L418 PolarHBondContact O-N 3.16Å; L418-G423 CarbonylContact O-C 3.51Å; L418-A424 HydrophobicContact CD2-CB 4.13Å; L418-A424 PolarHBondContact O-N 3.42Å; L418-M425 VanDerWaalsContact O-CB 3.32Å; L418-M425 WeakPolarHBondContact O-CB 2.99Å; L418-M425 VanDerWaalsContact O-CG 3.26Å; L418-M425 WeakPolarHBondContact O-CG 3.33Å; L418-M425 PolarHBondContact O-N 3.33Å; L418-A436 HydrophobicContact CD2-CB 3.92Å; L418-T439 HydrophobicContact CD1-CG2 3.78Å; L418-L440 HydrophobicContact CD1-CB 4.01Å; L418-L440 HydrophobicContact CD1-CD1 4.3Å; L418-M443 HydrophobicContact CD1-SD 3.89Å |
| 419 | V | 96.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -99.3 | 161 | -168.8 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | A415 G423 M425 L440 H671 T674 A675 D678 | A415-V419 WeakPolarHBondContact O-CG2 3.26Å; A415-V419 PolarHBondContact O-N 2.89Å; A415-V419 VanDerWaalsContact O-N 3.16Å; V419-G423 WeakPolarHBondContact O-CA 3.34Å; V419-M425 HydrophobicContact CG1-SD 4.22Å; V419-L440 HydrophobicContact CG1-CD1 4.41Å; V419-L440 HydrophobicContact CG1-CD2 3.44Å; V419-L440 VanDerWaalsContact CG1-CD2 3.44Å; V419-H671 HydrophobicContact CG2-CB 3.88Å; V419-T674 HydrophobicContact CB-CG2 4.2Å; V419-T674 HydrophobicContact CG2-CG2 4.13Å; V419-A675 HydrophobicContact CG1-CB 3.73Å; V419-D678 WeakPolarHBondContact CA-OD2 3.43Å; V419-D678 WeakPolarHBondContact CB-OD2 3.29Å |
| 420 | G | 93.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 82.2 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L422 G423 D678 | G420-L422 PolarHBondContact O-N 3.05Å; G420-G423 WeakPolarHBondContact O-CA 3.5Å; G420-G423 PolarHBondContact O-N 3.28Å; G420-D678 PolarHBondContact N-OD2 2.94Å |
| 421 | N | 89.6 | Confident | 94 | Very high | 147 Ų | 147 | 43.6 Ų | 43.6 | 79% | 0.786 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.5 | -172.7 | -61.7 | -2.2 | 0 | 0 | 0 | 115.1 | ||
| 422 | L | 90.4 | Very high | 94.4 | Very high | 178 Ų | 178 | 42.3 Ų | 42.3 | 93% | 0.932 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 1.6 | 176.8 | -60.5 | 177.8 | 0 | 0 | 0 | 112.6 | G420 | G420-L422 PolarHBondContact O-N 3.05Š|
| 423 | G | 94.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81.1 | 161 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L417 L418 V419 G420 M425 M426 | L417-G423 WeakPolarHBondContact O-CA 3.42Å; L418-G423 CarbonylContact O-C 3.51Å; V419-G423 WeakPolarHBondContact O-CA 3.34Å; G420-G423 WeakPolarHBondContact O-CA 3.5Å; G420-G423 PolarHBondContact O-N 3.28Å; G423-M425 PolarHBondContact O-N 2.97Å; G423-M425 VanDerWaalsContact O-N 3.14Å; G423-M426 PolarHBondContact O-N 3.21Å |
| 424 | A | 96.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -64.2 | -15.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I382 L394 L417 L418 M426 D427 A436 | I382-A424 HydrophobicContact CG2-CB 4.29Å; L394-A424 HydrophobicContact CD1-CB 3.84Å; L394-A424 HydrophobicContact CD2-CB 3.94Å; L417-A424 PolarHBondContact O-N 2.89Å; L418-A424 HydrophobicContact CD2-CB 4.13Å; L418-A424 PolarHBondContact O-N 3.42Å; A424-M426 VanDerWaalsContact C-N 3.28Å; A424-D427 VanDerWaalsContact O-CB 3.24Å; A424-D427 WeakPolarHBondContact O-CB 3.29Å; A424-D427 PolarHBondContact O-N 3.01Å; A424-A436 HydrophobicContact CB-CB 3.72Å |
| 425 | M | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -71 | -23.5 | 170.9 | -71.8 | 175.9 | 62.5 | 0 | 0 | 112.8 | L418 V419 G423 D427 R433 A436 L440 D678 F679 M682 | L418-M425 VanDerWaalsContact O-CB 3.32Å; L418-M425 WeakPolarHBondContact O-CB 2.99Å; L418-M425 VanDerWaalsContact O-CG 3.26Å; L418-M425 WeakPolarHBondContact O-CG 3.33Å; L418-M425 PolarHBondContact O-N 3.33Å; V419-M425 HydrophobicContact CG1-SD 4.22Å; G423-M425 PolarHBondContact O-N 2.97Å; G423-M425 VanDerWaalsContact O-N 3.14Å; M425-D427 VanDerWaalsContact C-N 3.35Å; M425-R433 WeakPolarHBondContact O-CD 3.49Å; M425-R433 VanDerWaalsContact O-CG 3.25Å; M425-R433 WeakPolarHBondContact O-CG 3.33Å; M425-A436 HydrophobicContact CG-CB 3.95Å; M425-L440 HydrophobicContact CE-CD2 4.48Å; M425-L440 HydrophobicContact SD-CD2 3.41Å; M425-L440 WeakPolarHBondContact SD-CD2 3.24Å; M425-D678 HydrophobicContact CE-CB 3.72Å; M425-F679 HydrophobicContact CE-CD1 3.87Å; M425-F679 HydrophobicContact CE-CD2 3.57Å; M425-F679 HydrophobicContact CE-CE1 3.8Å; M425-F679 HydrophobicContact CE-CE2 3.44Å; M425-F679 VanDerWaalsContact CE-CE2 3.44Å; M425-F679 HydrophobicContact CE-CG 3.8Å; M425-F679 HydrophobicContact CE-CZ 3.59Å; M425-F679 HydrophobicContact SD-CE2 4.18Å; M425-F679 HydrophobicContact SD-CZ 4.4Å; M425-M682 HydrophobicContact CE-SD 3.9Å |
| 426 | M | 94 | Very high | 95.6 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -100.3 | 21.1 | 176.7 | -60.6 | -58.7 | 136.3 | 0 | 0 | 112.2 | G423 A424 D678 M682 | G423-M426 PolarHBondContact O-N 3.21Å; A424-M426 VanDerWaalsContact C-N 3.28Å; M426-D678 HydrophobicContact CE-CB 3.67Å; M426-M682 HydrophobicContact CE-CG 4.23Å; M426-M682 HydrophobicContact CE-SD 4.44Å |
| 427 | D | 96.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | trans | -66.5 | 147.4 | -179.1 | -160.5 | -80.3 | 0 | 0 | 0 | 112.7 | R390 A424 M425 S429 A432 R433 | R390-D427 VanDerWaalsContact CZ-CG 3.44Å; R390-D427 IonicContact CZ-OD1 3.07Å; R390-D427 VanDerWaalsContact CZ-OD1 3.24Å; R390-D427 IonicContact CZ-OD2 2.66Å; R390-D427 IonicContact NE-OD2 2.71Å; R390-D427 IonicContact NH1-OD1 3.88Å; R390-D427 IonicContact NH1-OD2 2.8Å; R390-D427 PolarHBondContact NH1-OD2 3.24Å; R390-D427 VanDerWaalsContact NH2-CG 3.3Å; R390-D427 IonicContact NH2-OD1 2.67Å; R390-D427 PolarHBondContact NH2-OD1 3.5Å; R390-D427 IonicContact NH2-OD2 3.7Å; R390-D427 PolarHBondContact NH2-OD2 3.43Å; A424-D427 VanDerWaalsContact O-CB 3.24Å; A424-D427 WeakPolarHBondContact O-CB 3.29Å; A424-D427 PolarHBondContact O-N 3.01Å; M425-D427 VanDerWaalsContact C-N 3.35Å; D427-S429 VanDerWaalsContact C-N 3.28Å; D427-S429 PolarHBondContact O-N 3.39Å; D427-S429 WeakPolarHBondContact OD1-CA 3.33Å; D427-S429 VanDerWaalsContact OD1-CB 3.26Å; D427-S429 WeakPolarHBondContact OD1-CB 3.2Å; D427-S429 PolarHBondContact OD1-N 3.02Å; D427-A432 HydrophobicContact CB-CB 3.9Å; D427-R433 HydrophobicContact CB-CG 3.85Å; D427-R433 WeakPolarHBondContact O-CD 3.4Å; D427-R433 WeakPolarHBondContact O-CG 3.48Å; D427-R433 PolarHBondContact O-NH1 3.12Å | ||
| 428 | V | 94.2 | Very high | 95.7 | Very high | 136 Ų | 136 | 42.4 Ų | 42.4 | 82% | 0.824 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -62.9 | -36.5 | 174.4 | -177 | 0 | 0 | 0 | 0 | 111.6 | A430 R433 | V428-A430 PolarHBondContact O-N 3.28Å; V428-R433 PolarHBondContact O-NH1 3.06Å; V428-R433 VanDerWaalsContact O-NH1 3.08Å |
| 429 | S | 94.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.9 | 115 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | D427 S431 A432 R433 | D427-S429 VanDerWaalsContact C-N 3.28Å; D427-S429 PolarHBondContact O-N 3.39Å; D427-S429 WeakPolarHBondContact OD1-CA 3.33Å; D427-S429 VanDerWaalsContact OD1-CB 3.26Å; D427-S429 WeakPolarHBondContact OD1-CB 3.2Å; D427-S429 PolarHBondContact OD1-N 3.02Å; S429-S431 PolarHBondContact O-N 3.07Å; S429-S431 PolarHBondContact OG-N 2.97Å; S429-A432 WeakPolarHBondContact O-CA 3.49Å; S429-A432 WeakPolarHBondContact O-CB 3.45Å; S429-A432 PolarHBondContact O-N 3.43Å; S429-A432 PolarHBondContact OG-N 3.42Å; S429-R433 PolarHBondContact O-N 3.22Å |
| 430 | A | 94.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 42 Ų | 42 | 31% | 0.306 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.3 | -32.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V428 K434 T687 | V428-A430 PolarHBondContact O-N 3.28Å; A430-K434 VanDerWaalsContact O-CB 3.27Å; A430-K434 WeakPolarHBondContact O-CB 3.45Å; A430-K434 PolarHBondContact O-N 3.1Å; A430-T687 HydrophobicContact CB-CG2 4.29Å |
| 431 | S | 95.9 | Very high | 95.7 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.1 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | S429 N435 | S429-S431 PolarHBondContact O-N 3.07Å; S429-S431 PolarHBondContact OG-N 2.97Å; S431-N435 PolarHBondContact O-N 3.39Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 3.37Å |
| 432 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -48.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R390 A391 L394 D427 S429 K434 N435 A436 | R390-A432 HydrophobicContact CB-CB 4.46Å; A391-A432 HydrophobicContact CB-CB 4.33Å; L394-A432 HydrophobicContact CD1-CB 3.93Å; L394-A432 WeakPolarHBondContact CD1-O 3.26Å; D427-A432 HydrophobicContact CB-CB 3.9Å; S429-A432 WeakPolarHBondContact O-CA 3.49Å; S429-A432 WeakPolarHBondContact O-CB 3.45Å; S429-A432 PolarHBondContact O-N 3.43Å; S429-A432 PolarHBondContact OG-N 3.42Å; A432-K434 PolarHBondContact O-N 2.86Å; A432-N435 PolarHBondContact O-N 2.96Å; A432-A436 WeakPolarHBondContact O-CB 3.45Å; A432-A436 PolarHBondContact O-N 2.95Å |
| 433 | R | 97.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 26.9 Ų | 26.9 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.4 | -52.7 | 174.9 | -63.7 | -161.8 | -61.9 | -88.1 | 9.9 | 111.9 | M425 D427 V428 S429 N435 A436 C437 T687 D690 | M425-R433 WeakPolarHBondContact O-CD 3.49Å; M425-R433 VanDerWaalsContact O-CG 3.25Å; M425-R433 WeakPolarHBondContact O-CG 3.33Å; D427-R433 HydrophobicContact CB-CG 3.85Å; D427-R433 WeakPolarHBondContact O-CD 3.4Å; D427-R433 WeakPolarHBondContact O-CG 3.48Å; D427-R433 PolarHBondContact O-NH1 3.12Å; V428-R433 PolarHBondContact O-NH1 3.06Å; V428-R433 VanDerWaalsContact O-NH1 3.08Å; S429-R433 PolarHBondContact O-N 3.22Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.04Å; R433-A436 WeakPolarHBondContact O-CA 3.07Å; R433-A436 WeakPolarHBondContact O-CB 3.26Å; R433-A436 PolarHBondContact O-N 3.46Å; R433-C437 PolarHBondContact O-N 3.26Å; R433-C437 PolarHBondContact O-SG 2.98Å; R433-T687 PolarHBondContact NH2-OG1 3.5Å; R433-D690 IonicContact CZ-OD1 3.07Å; R433-D690 IonicContact CZ-OD2 3.46Å; R433-D690 VanDerWaalsContact CZ-OD2 3.29Å; R433-D690 IonicContact NE-OD1 3.57Å; R433-D690 PolarHBondContact NE-OD1 3.09Å; R433-D690 IonicContact NE-OD2 3.58Å; R433-D690 PolarHBondContact NE-OD2 3.38Å; R433-D690 IonicContact NH2-OD1 3.58Å; R433-D690 IonicContact NH2-OD2 3.09Å; R433-D690 PolarHBondContact NH2-OD2 3.38Å |
| 434 | K | 98.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 26.9 Ų | 26.9 | 36% | 0.361 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.9 | -47.6 | 177.8 | 177.4 | 172.6 | -178 | 167.1 | 0 | 112.7 | A430 A432 K438 E693 | A430-K434 VanDerWaalsContact O-CB 3.27Å; A430-K434 WeakPolarHBondContact O-CB 3.45Å; A430-K434 PolarHBondContact O-N 3.1Å; A432-K434 PolarHBondContact O-N 2.86Å; K434-K438 VanDerWaalsContact CE-CE 3.42Å; K434-K438 HydrophobicContact CG-CD 4.5Å; K434-K438 WeakPolarHBondContact O-CG 3.48Å; K434-K438 PolarHBondContact O-N 2.84Å; K434-E693 VanDerWaalsContact CE-OE1 3.25Å; K434-E693 WeakPolarHBondContact CE-OE1 3.32Å; K434-E693 HydrophobicContact CG-CG 4.1Å |
| 435 | N | 98.1 | Very high | 95 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71 | -33.2 | 179.2 | -72.2 | -66.3 | 0 | 0 | 0 | 112.2 | L394 S431 A432 R433 T439 | L394-N435 HydrophobicContact CB-CB 3.67Å; S431-N435 PolarHBondContact O-N 3.39Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 3.37Å; A432-N435 PolarHBondContact O-N 2.96Å; R433-N435 VanDerWaalsContact C-N 3.33Å; R433-N435 PolarHBondContact O-N 3.04Å; N435-T439 WeakPolarHBondContact O-CB 3.44Å; N435-T439 PolarHBondContact O-N 2.84Å; N435-T439 PolarHBondContact O-OG1 2.87Å |
| 436 | A | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L394 L418 A424 M425 A432 R433 T439 L440 | L394-A436 HydrophobicContact CD1-CB 4.28Å; L394-A436 HydrophobicContact CD2-CB 4.33Å; L418-A436 HydrophobicContact CD2-CB 3.92Å; A424-A436 HydrophobicContact CB-CB 3.72Å; M425-A436 HydrophobicContact CG-CB 3.95Å; A432-A436 WeakPolarHBondContact O-CB 3.45Å; A432-A436 PolarHBondContact O-N 2.95Å; R433-A436 WeakPolarHBondContact O-CA 3.07Å; R433-A436 WeakPolarHBondContact O-CB 3.26Å; R433-A436 PolarHBondContact O-N 3.46Å; A436-T439 WeakPolarHBondContact O-CB 3.38Å; A436-T439 PolarHBondContact O-N 2.9Å; A436-L440 PolarHBondContact O-N 2.95Å |
| 437 | C | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.2 | -52.1 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | R433 T439 L440 T441 F679 M682 E693 | R433-C437 PolarHBondContact O-N 3.26Å; R433-C437 PolarHBondContact O-SG 2.98Å; C437-T439 VanDerWaalsContact C-N 3.29Å; C437-T439 PolarHBondContact O-N 3.34Å; C437-L440 PolarHBondContact O-N 2.82Å; C437-L440 VanDerWaalsContact O-N 3.15Å; C437-T441 WeakPolarHBondContact O-CB 3.48Å; C437-T441 PolarHBondContact O-N 3.27Å; C437-T441 PolarHBondContact O-OG1 3.42Å; C437-F679 HydrophobicContact CB-CE1 3.7Å; C437-F679 HydrophobicContact CB-CZ 3.79Å; C437-F679 VanDerWaalsContact SG-CE1 3.6Å; C437-M682 WeakPolarHBondContact SG-CE 3.42Å; C437-M682 VanDerWaalsContact SG-SD 3.63Å; C437-E693 HydrophobicContact CB-CB 3.87Å |
| 438 | K | 97.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 23% | 0.226 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -44 | 175.6 | -72.8 | -179.8 | -176.5 | -53.3 | 0 | 112.6 | H398 K434 L440 A442 E693 E696 | H398-K438 PolarHBondContact CD2-O 3.31Å; K434-K438 VanDerWaalsContact CE-CE 3.42Å; K434-K438 HydrophobicContact CG-CD 4.5Å; K434-K438 WeakPolarHBondContact O-CG 3.48Å; K434-K438 PolarHBondContact O-N 2.84Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 2.88Å; K438-A442 VanDerWaalsContact O-CB 3.31Å; K438-A442 WeakPolarHBondContact O-CB 3.5Å; K438-A442 PolarHBondContact O-N 3.15Å; K438-E693 WeakPolarHBondContact CE-OE1 3.49Å; K438-E693 WeakPolarHBondContact CE-OE2 3.41Å; K438-E693 WeakPolarHBondContact CG-OE2 3.31Å; K438-E693 IonicContact NZ-OE1 3.71Å; K438-E693 PolarHBondContact NZ-OE1 3.39Å; K438-E693 IonicContact NZ-OE2 3.94Å; K438-E693 PolarHBondContact NZ-OE2 3.47Å; K438-E696 IonicContact NZ-OE2 2.93Å |
| 439 | T | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 178.3 | -56 | 0 | 0 | 0 | 0 | 110.2 | L394 W397 H398 V401 L414 L418 N435 A436 C437 A442 M443 | L394-T439 PolarHBondContact O-OG1 3.26Å; W397-T439 HydrophobicContact CB-CG2 4.15Å; H398-T439 WeakPolarHBondContact CB-OG1 3.32Å; H398-T439 PolarHBondContact N-OG1 3.36Å; V401-T439 HydrophobicContact CG2-CG2 4.01Å; L414-T439 HydrophobicContact CD2-CG2 4.03Å; L418-T439 HydrophobicContact CD1-CG2 3.78Å; N435-T439 WeakPolarHBondContact O-CB 3.44Å; N435-T439 PolarHBondContact O-N 2.84Å; N435-T439 PolarHBondContact O-OG1 2.87Å; A436-T439 WeakPolarHBondContact O-CB 3.38Å; A436-T439 PolarHBondContact O-N 2.9Å; C437-T439 VanDerWaalsContact C-N 3.29Å; C437-T439 PolarHBondContact O-N 3.34Å; T439-A442 PolarHBondContact O-N 3.32Å; T439-M443 HydrophobicContact CG2-SD 4.16Å; T439-M443 VanDerWaalsContact O-CG 3.24Å; T439-M443 WeakPolarHBondContact O-CG 3.45Å; T439-M443 PolarHBondContact O-N 2.97Å |
| 440 | L | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | -177.4 | -169.8 | 58.5 | 0 | 0 | 0 | 112.8 | L418 V419 M425 A436 C437 K438 A442 M443 I444 I672 A675 F679 | L418-L440 HydrophobicContact CD1-CB 4.01Å; L418-L440 HydrophobicContact CD1-CD1 4.3Å; V419-L440 HydrophobicContact CG1-CD1 4.41Å; V419-L440 HydrophobicContact CG1-CD2 3.44Å; V419-L440 VanDerWaalsContact CG1-CD2 3.44Å; M425-L440 HydrophobicContact CE-CD2 4.48Å; M425-L440 HydrophobicContact SD-CD2 3.41Å; M425-L440 WeakPolarHBondContact SD-CD2 3.24Å; A436-L440 PolarHBondContact O-N 2.95Å; C437-L440 PolarHBondContact O-N 2.82Å; C437-L440 VanDerWaalsContact O-N 3.15Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 2.88Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 3.17Å; L440-M443 HydrophobicContact CD1-SD 4.38Å; L440-M443 WeakPolarHBondContact O-CB 3.26Å; L440-M443 PolarHBondContact O-N 3.35Å; L440-M443 VanDerWaalsContact O-N 3.12Å; L440-I444 PolarHBondContact O-N 2.74Å; L440-I672 HydrophobicContact CD1-CD1 4.02Å; L440-A675 HydrophobicContact CD2-CB 3.43Å; L440-A675 VanDerWaalsContact CD2-CB 3.43Å; L440-A675 HydrophobicContact CG-CB 4.4Å; L440-F679 HydrophobicContact CD2-CE2 4.05Å |
| 441 | T | 94.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | C437 M443 I444 I700 | C437-T441 WeakPolarHBondContact O-CB 3.48Å; C437-T441 PolarHBondContact O-N 3.27Å; C437-T441 PolarHBondContact O-OG1 3.42Å; T441-M443 VanDerWaalsContact C-N 3.35Å; T441-M443 PolarHBondContact O-N 3.01Å; T441-I444 PolarHBondContact O-N 3.5Å; T441-I700 HydrophobicContact CG2-CB 3.98Å; T441-I700 HydrophobicContact CG2-CD1 3.44Å; T441-I700 VanDerWaalsContact CG2-CD1 3.44Å; T441-I700 HydrophobicContact CG2-CG1 4.28Å; T441-I700 HydrophobicContact CG2-CG2 3.93Å |
| 442 | A | 93 | Very high | 87.1 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.7 | -32.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V401 V402 K438 T439 L440 L445 | V401-A442 HydrophobicContact CB-CB 4.41Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V402-A442 HydrophobicContact CG2-CB 4.06Å; K438-A442 VanDerWaalsContact O-CB 3.31Å; K438-A442 WeakPolarHBondContact O-CB 3.5Å; K438-A442 PolarHBondContact O-N 3.15Å; T439-A442 PolarHBondContact O-N 3.32Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 3.17Å; A442-L445 PolarHBondContact O-N 3.03Å |
| 443 | M | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 178.1 | -74.7 | 170.8 | 73.4 | 0 | 0 | 111.9 | V401 L406 Q411 L414 A415 L418 T439 L440 T441 L445 Q446 C447 F668 | V401-M443 HydrophobicContact CB-CG 4.45Å; V401-M443 HydrophobicContact CG1-CB 4.41Å; V401-M443 HydrophobicContact CG1-CG 3.79Å; V401-M443 HydrophobicContact CG2-CG 3.76Å; L406-M443 HydrophobicContact CD2-CE 3.88Å; L406-M443 HydrophobicContact CD2-CG 4.15Å; L406-M443 HydrophobicContact CD2-SD 4.39Å; Q411-M443 VanDerWaalsContact O-CE 3.24Å; Q411-M443 WeakPolarHBondContact O-CE 3.49Å; L414-M443 HydrophobicContact CB-CE 4.12Å; L414-M443 HydrophobicContact CD2-CE 4.26Å; L414-M443 HydrophobicContact CD2-SD 3.8Å; L414-M443 HydrophobicContact CG-CE 4.29Å; L414-M443 HydrophobicContact CG-SD 4.03Å; A415-M443 HydrophobicContact CB-CE 4.05Å; L418-M443 HydrophobicContact CD1-SD 3.89Å; T439-M443 HydrophobicContact CG2-SD 4.16Å; T439-M443 VanDerWaalsContact O-CG 3.24Å; T439-M443 WeakPolarHBondContact O-CG 3.45Å; T439-M443 PolarHBondContact O-N 2.97Å; L440-M443 HydrophobicContact CD1-SD 4.38Å; L440-M443 WeakPolarHBondContact O-CB 3.26Å; L440-M443 PolarHBondContact O-N 3.35Å; L440-M443 VanDerWaalsContact O-N 3.12Å; T441-M443 VanDerWaalsContact C-N 3.35Å; T441-M443 PolarHBondContact O-N 3.01Å; M443-L445 VanDerWaalsContact C-N 3.3Å; M443-L445 PolarHBondContact O-N 2.86Å; M443-Q446 PolarHBondContact O-N 2.92Å; M443-Q446 VanDerWaalsContact O-N 3.08Å; M443-C447 PolarHBondContact O-N 3.23Å; M443-C447 PolarHBondContact O-SG 3.36Å; M443-F668 HydrophobicContact CE-CE2 3.78Å |
| 444 | I | 88.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 178.5 | -79.6 | 165.6 | 0 | 0 | 0 | 111.7 | L440 T441 Q446 C447 I672 F697 A704 I706 | L440-I444 PolarHBondContact O-N 2.74Å; T441-I444 PolarHBondContact O-N 3.5Å; I444-Q446 PolarHBondContact O-N 3.36Å; I444-C447 PolarHBondContact O-N 2.98Å; I444-I672 HydrophobicContact CD1-CD1 4.14Å; I444-I672 HydrophobicContact CG1-CD1 3.82Å; I444-F697 HydrophobicContact CD1-CD2 4.03Å; I444-F697 HydrophobicContact CD1-CE2 3.26Å; I444-F697 HydrophobicContact CD1-CZ 4.01Å; I444-A704 HydrophobicContact CG2-CB 3.91Å; I444-I706 HydrophobicContact CB-CD1 4.26Å; I444-I706 HydrophobicContact CD1-CD1 3.72Å; I444-I706 HydrophobicContact CG1-CD1 3.89Å; I444-I706 HydrophobicContact CG2-CD1 3.4Å; I444-I706 VanDerWaalsContact CG2-CD1 3.4Å; I444-I706 HydrophobicContact CG2-CG1 4.38Å |
| 445 | L | 83.7 | Confident | 84 | Confident | 112 Ų | 112 | 30.5 Ų | 30.5 | 59% | 0.586 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -63.9 | -22.1 | 179.4 | -70.7 | 176.2 | 0 | 0 | 0 | 113.4 | A442 M443 I700 | A442-L445 PolarHBondContact O-N 3.03Å; M443-L445 VanDerWaalsContact C-N 3.3Å; M443-L445 PolarHBondContact O-N 2.86Å; L445-I700 HydrophobicContact CD1-CG2 3.98Å; L445-I700 HydrophobicContact CD2-CG2 3.74Å; L445-I700 HydrophobicContact CG-CG2 3.73Å |
| 446 | Q | 78 | Confident | 83.1 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -102.1 | -5.8 | -177.3 | -64.2 | -172 | -1 | 0 | 0 | 114.2 | V401 M443 I444 P448 | V401-Q446 PolarHBondContact O-NE2 3.48Å; V401-Q446 PolarHBondContact O-OE1 3Å; M443-Q446 PolarHBondContact O-N 2.92Å; M443-Q446 VanDerWaalsContact O-N 3.08Å; I444-Q446 PolarHBondContact O-N 3.36Å; Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.24Å |
| 447 | C | 73.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | trans | -115.9 | 89.4 | -175.9 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | Q411 M443 I444 A449 A450 F668 | Q411-C447 PolarHBondContact NE2-SG 3.44Å; Q411-C447 VanDerWaalsContact NE2-SG 3.44Å; Q411-C447 PolarHBondContact OE1-SG 2.88Å; M443-C447 PolarHBondContact O-N 3.23Å; M443-C447 PolarHBondContact O-SG 3.36Å; I444-C447 PolarHBondContact O-N 2.98Å; C447-A449 PolarHBondContact O-N 2.93Å; C447-A450 WeakPolarHBondContact O-CB 3.45Å; C447-A450 PolarHBondContact O-N 3.18Å; C447-F668 HydrophobicContact CB-CD1 4.37Å; C447-F668 HydrophobicContact CB-CE1 3.5Å; C447-F668 HydrophobicContact CB-CZ 3.92Å | ||
| 448 | P | 64.1 | Low | 81.4 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -51.8 | -31.4 | -179.2 | -28 | 33.7 | 0 | 0 | 0 | 113.8 | Q446 A450 K451 A596 A599 | Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.24Å; P448-A450 PolarHBondContact O-N 3.36Å; P448-K451 WeakPolarHBondContact O-CG 3.36Å; P448-K451 PolarHBondContact O-N 3.49Å; P448-A596 WeakPolarHBondContact O-CB 3.41Å; P448-A599 HydrophobicContact CB-CB 4.33Å |
| 449 | A | 69.1 | Low | 80.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -67.1 | -14.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | C447 K451 L452 T665 I669 | C447-A449 PolarHBondContact O-N 2.93Å; A449-K451 PolarHBondContact O-N 3.01Å; A449-K451 VanDerWaalsContact O-N 3.1Å; A449-L452 HydrophobicContact CB-CD1 4.38Å; A449-L452 WeakPolarHBondContact O-CB 3.05Å; A449-L452 PolarHBondContact O-N 3.16Å; A449-L452 VanDerWaalsContact O-N 3.08Å; A449-T665 HydrophobicContact CB-CG2 3.21Å; A449-I669 VanDerWaalsContact O-CD1 3.28Å; A449-I669 WeakPolarHBondContact O-CD1 3.19Å |
| 450 | A | 69.6 | Low | 80 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -60.7 | -18.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | C447 P448 L452 F668 I706 | C447-A450 WeakPolarHBondContact O-CB 3.45Å; C447-A450 PolarHBondContact O-N 3.18Å; P448-A450 PolarHBondContact O-N 3.36Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-F668 HydrophobicContact CB-CE1 4.32Å; A450-I706 HydrophobicContact CB-CD1 4.22Å; A450-I706 HydrophobicContact CB-CG1 4.46Å |
| 451 | K | 73.7 | Confident | 79.4 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -76.5 | -17.5 | 176.6 | -55 | -170.2 | -171.9 | -158.5 | 0 | 114 | P448 A449 A596 A704 | P448-K451 WeakPolarHBondContact O-CG 3.36Å; P448-K451 PolarHBondContact O-N 3.49Å; A449-K451 PolarHBondContact O-N 3.01Å; A449-K451 VanDerWaalsContact O-N 3.1Å; K451-A596 HydrophobicContact CB-CB 4.22Å; K451-A596 HydrophobicContact CD-CB 4.47Å; K451-A704 WeakPolarHBondContact CD-O 3.31Å; K451-A704 WeakPolarHBondContact CE-O 3.19Å; K451-A704 WeakPolarHBondContact CG-O 3.5Å |
| 452 | L | 71.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -82.8 | 144.3 | -176.3 | -65.9 | 168.4 | 0 | 0 | 0 | 111.1 | A449 A450 L457 A593 A596 L597 I669 | A449-L452 HydrophobicContact CB-CD1 4.38Å; A449-L452 WeakPolarHBondContact O-CB 3.05Å; A449-L452 PolarHBondContact O-N 3.16Å; A449-L452 VanDerWaalsContact O-N 3.08Å; A450-L452 VanDerWaalsContact C-N 3.34Å; L452-L457 HydrophobicContact CD1-CD1 4.25Å; L452-A593 HydrophobicContact CD2-CB 4.19Å; L452-A593 WeakPolarHBondContact CD2-O 3.27Å; L452-A596 HydrophobicContact CG-CB 4.4Å; L452-L597 HydrophobicContact CD1-CD1 4.08Å; L452-L597 HydrophobicContact CD2-CB 4.23Å; L452-I669 HydrophobicContact CB-CD1 4.04Å |
| 453 | T | 74.1 | Confident | 78.9 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | trans | -76.3 | 154.5 | 167.3 | 63 | 0 | 0 | 0 | 0 | 111.1 | N455 E456 L457 K707 | T453-N455 PolarHBondContact O-N 3.14Å; T453-E456 PolarHBondContact N-OE2 3.32Å; T453-E456 PolarHBondContact O-N 2.98Å; T453-E456 WeakPolarHBondContact OG1-CB 3.43Å; T453-E456 WeakPolarHBondContact OG1-CG 3.48Å; T453-E456 PolarHBondContact OG1-N 3.29Å; T453-E456 PolarHBondContact OG1-OE2 3.49Å; T453-L457 PolarHBondContact O-N 3.41Å; T453-L457 VanDerWaalsContact O-N 3.14Å; T453-K707 HydrophobicContact CG2-CD 3.63Å | ||
| 454 | T | 76.2 | Confident | 78.6 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.27 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.6 | -37.4 | 174.9 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | Q458 Q673 | T454-Q458 VanDerWaalsContact O-CB 3.24Å; T454-Q458 WeakPolarHBondContact O-CB 3.39Å; T454-Q458 PolarHBondContact O-N 3.22Å; T454-Q673 PolarHBondContact OG1-NE2 3.41Å; T454-Q673 PolarHBondContact OG1-OE1 3.34Å |
| 455 | N | 79.6 | Confident | 78.6 | Confident | 123 Ų | 123 | 54 Ų | 54 | 66% | 0.658 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.4 | -46.5 | -178.6 | -70.6 | -16.4 | 0 | 0 | 0 | 112.9 | T453 L457 Q458 Q459 | T453-N455 PolarHBondContact O-N 3.14Å; N455-L457 VanDerWaalsContact C-N 3.33Å; N455-L457 PolarHBondContact O-N 2.94Å; N455-Q458 PolarHBondContact O-N 3.35Å; N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.82Å; N455-Q459 VanDerWaalsContact O-N 3.16Å |
| 456 | E | 77.9 | Confident | 79.1 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 177 | -72.9 | 155.5 | 175.5 | 0 | 0 | 110.7 | T453 Q459 V460 K707 | T453-E456 PolarHBondContact N-OE2 3.32Å; T453-E456 PolarHBondContact O-N 2.98Å; T453-E456 WeakPolarHBondContact OG1-CB 3.43Å; T453-E456 WeakPolarHBondContact OG1-CG 3.48Å; T453-E456 PolarHBondContact OG1-N 3.29Å; T453-E456 PolarHBondContact OG1-OE2 3.49Å; E456-Q459 PolarHBondContact O-N 3.4Å; E456-V460 PolarHBondContact O-N 3.38Å; E456-K707 IonicContact OE1-NZ 3.37Å; E456-K707 PolarHBondContact OE1-NZ 3.16Å |
| 457 | L | 78.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 179 | -175.5 | 63.8 | 0 | 0 | 0 | 112 | L452 T453 N455 Q459 V460 V461 L662 T665 I669 | L452-L457 HydrophobicContact CD1-CD1 4.25Å; T453-L457 PolarHBondContact O-N 3.41Å; T453-L457 VanDerWaalsContact O-N 3.14Å; N455-L457 VanDerWaalsContact C-N 3.33Å; N455-L457 PolarHBondContact O-N 2.94Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.98Å; L457-V460 PolarHBondContact O-N 3.26Å; L457-V460 VanDerWaalsContact O-N 3.13Å; L457-V461 HydrophobicContact CD1-CG2 4.49Å; L457-V461 HydrophobicContact CG-CG2 4.23Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.46Å; L457-V461 PolarHBondContact O-N 3.45Å; L457-L662 HydrophobicContact CD1-CD2 3.97Å; L457-T665 HydrophobicContact CD2-CG2 3.87Å; L457-I669 HydrophobicContact CD2-CD1 3.54Å |
| 458 | Q | 83 | Confident | 80.3 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 179.4 | -168.8 | 67.2 | 19.2 | 0 | 0 | 112.1 | T454 N455 V460 V461 N462 | T454-Q458 VanDerWaalsContact O-CB 3.24Å; T454-Q458 WeakPolarHBondContact O-CB 3.39Å; T454-Q458 PolarHBondContact O-N 3.22Å; N455-Q458 PolarHBondContact O-N 3.35Å; Q458-V460 VanDerWaalsContact C-N 3.33Å; Q458-V460 PolarHBondContact O-N 3.43Å; Q458-V461 PolarHBondContact O-N 3.1Å; Q458-N462 WeakPolarHBondContact O-CB 3.36Å; Q458-N462 PolarHBondContact O-N 3.42Å; Q458-N462 PolarHBondContact O-ND2 3.45Å |
| 459 | Q | 83.2 | Confident | 81.7 | Confident | 142 Ų | 142 | 62 Ų | 62 | 66% | 0.664 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 175.3 | -68.8 | -180 | 14.3 | 0 | 0 | 111.9 | N455 E456 L457 N462 K463 | N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.82Å; N455-Q459 VanDerWaalsContact O-N 3.16Å; E456-Q459 PolarHBondContact O-N 3.4Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.98Å; Q459-N462 PolarHBondContact O-N 3.14Å; Q459-K463 PolarHBondContact O-N 2.96Å |
| 460 | V | 81.2 | Confident | 82.8 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.4 | -43.4 | 179 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | E456 L457 Q458 N462 K463 E464 L597 L662 | E456-V460 PolarHBondContact O-N 3.38Å; L457-V460 PolarHBondContact O-N 3.26Å; L457-V460 VanDerWaalsContact O-N 3.13Å; Q458-V460 VanDerWaalsContact C-N 3.33Å; Q458-V460 PolarHBondContact O-N 3.43Å; V460-N462 VanDerWaalsContact C-N 3.28Å; V460-N462 PolarHBondContact O-N 2.59Å; V460-K463 PolarHBondContact O-N 2.84Å; V460-K463 VanDerWaalsContact O-N 3.13Å; V460-E464 HydrophobicContact CG1-CG 4.23Å; V460-E464 WeakPolarHBondContact O-CG 3.36Å; V460-E464 PolarHBondContact O-N 2.85Å; V460-L597 HydrophobicContact CB-CD1 4.18Å; V460-L597 HydrophobicContact CG1-CD1 4.09Å; V460-L597 HydrophobicContact CG2-CD1 3.76Å; V460-L597 HydrophobicContact CG2-CD2 3.7Å; V460-L597 HydrophobicContact CG2-CG 4.33Å; V460-L662 HydrophobicContact CG1-CD1 4.2Å |
| 461 | V | 82.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.9 | -50.2 | 172 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | L457 Q458 K463 E464 T465 L662 L663 | L457-V461 HydrophobicContact CD1-CG2 4.49Å; L457-V461 HydrophobicContact CG-CG2 4.23Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.46Å; L457-V461 PolarHBondContact O-N 3.45Å; Q458-V461 PolarHBondContact O-N 3.1Å; V461-K463 VanDerWaalsContact C-N 3.32Å; V461-K463 PolarHBondContact O-N 3.27Å; V461-E464 PolarHBondContact O-N 3.3Å; V461-T465 HydrophobicContact CG1-CG2 4.15Å; V461-T465 WeakPolarHBondContact O-CB 3.25Å; V461-T465 WeakPolarHBondContact O-CG2 3.17Å; V461-T465 PolarHBondContact O-N 3.1Å; V461-T465 PolarHBondContact O-OG1 3.19Å; V461-L662 HydrophobicContact CG2-CB 3.74Å; V461-L663 HydrophobicContact CG1-CD2 3.8Å |
| 462 | N | 89 | Confident | 84.5 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.5 | -72.1 | -19.5 | 0 | 0 | 0 | 113.6 | Q458 Q459 V460 T465 K466 | Q458-N462 WeakPolarHBondContact O-CB 3.36Å; Q458-N462 PolarHBondContact O-N 3.42Å; Q458-N462 PolarHBondContact O-ND2 3.45Å; Q459-N462 PolarHBondContact O-N 3.14Å; V460-N462 VanDerWaalsContact C-N 3.28Å; V460-N462 PolarHBondContact O-N 2.59Å; N462-T465 VanDerWaalsContact CA-OG1 3.32Å; N462-T465 WeakPolarHBondContact CA-OG1 3.34Å; N462-T465 PolarHBondContact O-OG1 2.66Å; N462-K466 VanDerWaalsContact O-CG 3.3Å; N462-K466 WeakPolarHBondContact O-CG 3.35Å; N462-K466 PolarHBondContact O-N 3.22Å |
| 463 | K | 87.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 70.2 Ų | 70.2 | 64% | 0.635 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.6 | -46.4 | 176.4 | -179.3 | -177.6 | 175.5 | -176.7 | 0 | 111.1 | Q459 V460 V461 K466 R467 | Q459-K463 PolarHBondContact O-N 2.96Å; V460-K463 PolarHBondContact O-N 2.84Å; V460-K463 VanDerWaalsContact O-N 3.13Å; V461-K463 VanDerWaalsContact C-N 3.32Å; V461-K463 PolarHBondContact O-N 3.27Å; K463-K466 PolarHBondContact O-N 2.88Å; K463-R467 PolarHBondContact O-N 2.75Å; K463-R467 VanDerWaalsContact O-N 3.1Å |
| 464 | E | 85.1 | Confident | 86 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.5 | -27.5 | -177 | -65.3 | -53.2 | 133.6 | 0 | 0 | 112.8 | V460 V461 R467 L468 Q655 V659 L662 | V460-E464 HydrophobicContact CG1-CG 4.23Å; V460-E464 WeakPolarHBondContact O-CG 3.36Å; V460-E464 PolarHBondContact O-N 2.85Å; V461-E464 PolarHBondContact O-N 3.3Å; E464-R467 PolarHBondContact O-N 3.39Å; E464-R467 WeakPolarHBondContact OE2-CD 3.49Å; E464-R467 IonicContact OE2-NH1 2.96Å; E464-L468 PolarHBondContact O-N 2.7Å; E464-Q655 PolarHBondContact O-NE2 3.48Å; E464-Q655 PolarHBondContact OE2-NE2 3.15Å; E464-V659 HydrophobicContact CB-CG2 4.23Å; E464-V659 WeakPolarHBondContact O-CG2 3.23Å; E464-L662 HydrophobicContact CB-CD1 3.95Å; E464-L662 HydrophobicContact CG-CD1 3.9Å |
| 465 | T | 90.1 | Very high | 86.4 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -46 | 170 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | V461 N462 R467 L468 E469 V659 | V461-T465 HydrophobicContact CG1-CG2 4.15Å; V461-T465 WeakPolarHBondContact O-CB 3.25Å; V461-T465 WeakPolarHBondContact O-CG2 3.17Å; V461-T465 PolarHBondContact O-N 3.1Å; V461-T465 PolarHBondContact O-OG1 3.19Å; N462-T465 VanDerWaalsContact CA-OG1 3.32Å; N462-T465 WeakPolarHBondContact CA-OG1 3.34Å; N462-T465 PolarHBondContact O-OG1 2.66Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.78Å; T465-L468 WeakPolarHBondContact O-CA 3.48Å; T465-L468 WeakPolarHBondContact O-CB 3.38Å; T465-L468 PolarHBondContact O-N 3.08Å; T465-E469 WeakPolarHBondContact O-CG 3.44Å; T465-E469 PolarHBondContact O-N 3.39Å; T465-V659 HydrophobicContact CG2-CG1 3.63Å; T465-V659 HydrophobicContact CG2-CG2 4.25Å |
| 466 | K | 93.4 | Very high | 86.6 | Confident | 145 Ų | 145 | 69.9 Ų | 69.9 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.5 | -38 | 173.6 | -74.2 | 175.5 | -178.4 | 179.4 | 0 | 112.4 | N462 K463 E469 S470 | N462-K466 VanDerWaalsContact O-CG 3.3Å; N462-K466 WeakPolarHBondContact O-CG 3.35Å; N462-K466 PolarHBondContact O-N 3.22Å; K463-K466 PolarHBondContact O-N 2.88Å; K466-E469 PolarHBondContact O-N 2.92Å; K466-S470 PolarHBondContact O-N 3.2Å |
| 467 | R | 87.7 | Confident | 86.7 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.6 | -173.8 | -179.2 | -178.9 | 179 | 2 | 111.8 | K463 E464 T465 S470 L471 | K463-R467 PolarHBondContact O-N 2.75Å; K463-R467 VanDerWaalsContact O-N 3.1Å; E464-R467 PolarHBondContact O-N 3.39Å; E464-R467 WeakPolarHBondContact OE2-CD 3.49Å; E464-R467 IonicContact OE2-NH1 2.96Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.78Å; R467-S470 PolarHBondContact O-N 3.42Å; R467-L471 WeakPolarHBondContact O-CG 3.08Å; R467-L471 PolarHBondContact O-N 3.16Å; R467-L471 VanDerWaalsContact O-N 3.09Å |
| 468 | L | 89.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 174.3 | 176.6 | 58.5 | 0 | 0 | 0 | 111.4 | E464 T465 S470 L471 E472 V652 Q655 R656 V659 | E464-L468 PolarHBondContact O-N 2.7Å; T465-L468 WeakPolarHBondContact O-CA 3.48Å; T465-L468 WeakPolarHBondContact O-CB 3.38Å; T465-L468 PolarHBondContact O-N 3.08Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 2.76Å; L468-L471 PolarHBondContact O-N 3.2Å; L468-L471 VanDerWaalsContact O-N 3.16Å; L468-E472 HydrophobicContact CD1-CG 3.96Å; L468-E472 HydrophobicContact CG-CG 4.35Å; L468-E472 WeakPolarHBondContact O-CG 3.26Å; L468-E472 PolarHBondContact O-N 3.18Å; L468-V652 HydrophobicContact CD1-CG1 4.3Å; L468-Q655 HydrophobicContact CB-CG 3.74Å; L468-Q655 HydrophobicContact CD1-CB 4.03Å; L468-Q655 HydrophobicContact CD1-CG 4.01Å; L468-Q655 HydrophobicContact CG-CG 4.44Å; L468-R656 HydrophobicContact CD1-CB 4.46Å; L468-R656 HydrophobicContact CD1-CG 3.48Å; L468-R656 VanDerWaalsContact CD1-CG 3.48Å; L468-R656 HydrophobicContact CD2-CG 3.83Å; L468-R656 HydrophobicContact CG-CG 4.29Å; L468-V659 HydrophobicContact CB-CG2 4.21Å; L468-V659 HydrophobicContact CD2-CB 4.35Å; L468-V659 HydrophobicContact CD2-CG2 4.07Å |
| 469 | E | 93.2 | Very high | 85.9 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 177.4 | -70.2 | 169.7 | 175.7 | 0 | 0 | 111.1 | T465 K466 L471 E472 E473 | T465-E469 WeakPolarHBondContact O-CG 3.44Å; T465-E469 PolarHBondContact O-N 3.39Å; K466-E469 PolarHBondContact O-N 2.92Å; E469-L471 PolarHBondContact O-N 2.96Å; E469-E472 PolarHBondContact O-N 2.95Å; E469-E473 WeakPolarHBondContact O-CG 3.35Å; E469-E473 PolarHBondContact O-N 2.87Å |
| 470 | S | 92.2 | Very high | 85.1 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 44% | 0.441 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | K466 R467 L468 L474 | K466-S470 PolarHBondContact O-N 3.2Å; R467-S470 PolarHBondContact O-N 3.42Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 2.76Å; S470-L474 WeakPolarHBondContact O-CG 3.44Å; S470-L474 PolarHBondContact O-N 3.37Å |
| 471 | L | 88.4 | Confident | 84 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 176.7 | -72.1 | 173.7 | 0 | 0 | 0 | 112.2 | R467 L468 E469 L474 L475 L648 V652 Q655 | R467-L471 WeakPolarHBondContact O-CG 3.08Å; R467-L471 PolarHBondContact O-N 3.16Å; R467-L471 VanDerWaalsContact O-N 3.09Å; L468-L471 PolarHBondContact O-N 3.2Å; L468-L471 VanDerWaalsContact O-N 3.16Å; E469-L471 PolarHBondContact O-N 2.96Å; L471-L474 PolarHBondContact O-N 3.5Å; L471-L475 WeakPolarHBondContact O-CB 3.17Å; L471-L475 PolarHBondContact O-N 3.42Å; L471-L648 HydrophobicContact CD2-CD1 4.07Å; L471-V652 HydrophobicContact CB-CG2 3.8Å; L471-Q655 HydrophobicContact CD1-CB 3.92Å; L471-Q655 HydrophobicContact CD1-CG 4.09Å |
| 472 | E | 91 | Very high | 82.6 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 176 | -73.1 | -174.3 | 168.7 | 0 | 0 | 111.7 | L468 E469 L474 L475 I476 V652 R656 | L468-E472 HydrophobicContact CD1-CG 3.96Å; L468-E472 HydrophobicContact CG-CG 4.35Å; L468-E472 WeakPolarHBondContact O-CG 3.26Å; L468-E472 PolarHBondContact O-N 3.18Å; E469-E472 PolarHBondContact O-N 2.95Å; E472-L474 PolarHBondContact O-N 2.85Å; E472-L475 PolarHBondContact O-N 3.47Å; E472-I476 VanDerWaalsContact O-CG1 3.26Å; E472-I476 WeakPolarHBondContact O-CG1 3.46Å; E472-I476 PolarHBondContact O-N 3.23Å; E472-V652 HydrophobicContact CG-CG1 3.96Å; E472-R656 IonicContact OE1-CZ 3.53Å; E472-R656 IonicContact OE1-NE 3.63Å; E472-R656 PolarHBondContact OE1-NE 3.37Å; E472-R656 IonicContact OE1-NH2 3.19Å; E472-R656 PolarHBondContact OE1-NH2 2.91Å; E472-R656 IonicContact OE2-NH2 3.63Å |
| 473 | E | 89.9 | Confident | 80.7 | Confident | 118 Ų | 118 | 87.4 Ų | 87.4 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 173 | -76.3 | -177.2 | -175.6 | 0 | 0 | 111.9 | E469 L475 I476 R477 | E469-E473 WeakPolarHBondContact O-CG 3.35Å; E469-E473 PolarHBondContact O-N 2.87Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.42Å; E473-I476 PolarHBondContact O-N 2.96Å; E473-R477 WeakPolarHBondContact O-CB 3.2Å; E473-R477 PolarHBondContact O-N 3.44Å |
| 474 | L | 86.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.4 | -76.5 | 173.1 | 0 | 0 | 0 | 111.3 | S470 L471 E472 R477 Y478 L648 | S470-L474 WeakPolarHBondContact O-CG 3.44Å; S470-L474 PolarHBondContact O-N 3.37Å; L471-L474 PolarHBondContact O-N 3.5Å; E472-L474 PolarHBondContact O-N 2.85Å; L474-R477 PolarHBondContact O-N 2.91Å; L474-Y478 WeakPolarHBondContact O-CD2 3.42Å; L474-Y478 PolarHBondContact O-N 3.15Å; L474-L648 HydrophobicContact CB-CD2 4.31Å |
| 475 | L | 84.7 | Confident | 76.3 | Confident | 16 Ų | 16 | 88.7 Ų | 88.7 | 8% | 0.084 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 178.8 | -178.3 | 64.5 | 0 | 0 | 0 | 112 | L471 E472 E473 Y478 K479 L648 T649 V652 | L471-L475 WeakPolarHBondContact O-CB 3.17Å; L471-L475 PolarHBondContact O-N 3.42Å; E472-L475 PolarHBondContact O-N 3.47Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.42Å; L475-Y478 PolarHBondContact O-N 3.06Å; L475-K479 HydrophobicContact CG-CD 4.47Å; L475-K479 WeakPolarHBondContact O-CB 3.43Å; L475-K479 WeakPolarHBondContact O-CG 3.38Å; L475-K479 PolarHBondContact O-N 3.33Å; L475-L648 HydrophobicContact CB-CD2 4.04Å; L475-L648 HydrophobicContact CB-CG 4.23Å; L475-L648 HydrophobicContact CD1-CD2 4.02Å; L475-L648 HydrophobicContact CD1-CG 4.09Å; L475-T649 HydrophobicContact CD1-CG2 3.55Å; L475-T649 HydrophobicContact CD2-CG2 4.1Å; L475-T649 HydrophobicContact CG-CG2 4.49Å; L475-V652 HydrophobicContact CB-CG2 4.26Å; L475-V652 HydrophobicContact CD2-CB 4.41Å; L475-V652 HydrophobicContact CD2-CG1 4.47Å; L475-V652 HydrophobicContact CD2-CG2 4.06Å |
| 476 | I | 84.3 | Confident | 73.6 | Confident | 113 Ų | 113 | 92 Ų | 92 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 174.1 | -68.7 | 164.1 | 0 | 0 | 0 | 110 | E472 E473 Y478 K479 S480 | E472-I476 VanDerWaalsContact O-CG1 3.26Å; E472-I476 WeakPolarHBondContact O-CG1 3.46Å; E472-I476 PolarHBondContact O-N 3.23Å; E473-I476 PolarHBondContact O-N 2.96Å; I476-Y478 VanDerWaalsContact C-N 3.33Å; I476-Y478 PolarHBondContact O-N 3.2Å; I476-K479 CarbonylContact O-C 3.59Å; I476-K479 WeakPolarHBondContact O-CB 3.33Å; I476-K479 PolarHBondContact O-N 2.86Å; I476-K479 VanDerWaalsContact O-N 3.13Å; I476-S480 PolarHBondContact O-N 3.12Å; I476-S480 PolarHBondContact O-OG 3.34Å |
| 477 | R | 79.7 | Confident | 70.6 | Confident | 155 Ų | 155 | 93.5 Ų | 93.5 | 59% | 0.585 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -38.4 | 178.2 | -155.8 | -177.5 | -66.6 | -169.8 | 0.8 | 111.9 | E473 L474 S480 V481 | E473-R477 WeakPolarHBondContact O-CB 3.2Å; E473-R477 PolarHBondContact O-N 3.44Å; L474-R477 PolarHBondContact O-N 2.91Å; R477-S480 WeakPolarHBondContact CA-OG 3.5Å; R477-S480 PolarHBondContact O-N 3.49Å; R477-S480 PolarHBondContact O-OG 2.89Å; R477-V481 VanDerWaalsContact O-CG2 3.27Å; R477-V481 WeakPolarHBondContact O-CG2 3.5Å; R477-V481 PolarHBondContact O-N 3.47Å |
| 478 | Y | 73.7 | Confident | 67.8 | Low | 100 Ų | 100 | 94 Ų | 94 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 172.1 | -97.7 | -86.2 | 0 | 0 | 0 | 112.6 | L474 L475 I476 S480 V481 T482 L648 | L474-Y478 WeakPolarHBondContact O-CD2 3.42Å; L474-Y478 PolarHBondContact O-N 3.15Å; L475-Y478 PolarHBondContact O-N 3.06Å; I476-Y478 VanDerWaalsContact C-N 3.33Å; I476-Y478 PolarHBondContact O-N 3.2Å; Y478-S480 VanDerWaalsContact C-N 3.32Å; Y478-S480 PolarHBondContact O-N 3.02Å; Y478-V481 PolarHBondContact O-N 2.99Å; Y478-T482 PolarHBondContact O-N 3.2Å; Y478-T482 VanDerWaalsContact O-N 3.1Å; Y478-T482 PolarHBondContact O-OG1 3.27Å; Y478-L648 HydrophobicContact CD2-CD2 3.72Å; Y478-L648 HydrophobicContact CE2-CD2 4.29Å; Y478-L648 HydrophobicContact CG-CD2 4.26Å |
| 479 | K | 71.6 | Confident | 65 | Low | 107 Ų | 107 | 100.7 Ų | 100.7 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -30.5 | 175.8 | -74.5 | 176 | 179.7 | 177.7 | 0 | 112.6 | L475 I476 T482 | L475-K479 HydrophobicContact CG-CD 4.47Å; L475-K479 WeakPolarHBondContact O-CB 3.43Å; L475-K479 WeakPolarHBondContact O-CG 3.38Å; L475-K479 PolarHBondContact O-N 3.33Å; I476-K479 CarbonylContact O-C 3.59Å; I476-K479 WeakPolarHBondContact O-CB 3.33Å; I476-K479 PolarHBondContact O-N 2.86Å; I476-K479 VanDerWaalsContact O-N 3.13Å; K479-T482 WeakPolarHBondContact CA-OG1 3.36Å; K479-T482 PolarHBondContact O-OG1 3.42Å |
| 480 | S | 66.1 | Low | 61.9 | Low | 59 Ų | 59 | 102 Ų | 102 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.5 | -42.7 | 175.2 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | I476 R477 Y478 T482 K483 V484 | I476-S480 PolarHBondContact O-N 3.12Å; I476-S480 PolarHBondContact O-OG 3.34Å; R477-S480 WeakPolarHBondContact CA-OG 3.5Å; R477-S480 PolarHBondContact O-N 3.49Å; R477-S480 PolarHBondContact O-OG 2.89Å; Y478-S480 VanDerWaalsContact C-N 3.32Å; Y478-S480 PolarHBondContact O-N 3.02Å; S480-T482 VanDerWaalsContact C-N 3.31Å; S480-T482 PolarHBondContact O-N 2.83Å; S480-K483 PolarHBondContact O-N 2.82Å; S480-K483 VanDerWaalsContact O-N 3.11Å; S480-V484 WeakPolarHBondContact O-CG2 3.34Å; S480-V484 PolarHBondContact O-N 3.21Å |
| 481 | V | 58.4 | Low | 59 | Low | 99 Ų | 99 | 108.4 Ų | 108.4 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -37.2 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | R477 Y478 K483 V484 | R477-V481 VanDerWaalsContact O-CG2 3.27Å; R477-V481 WeakPolarHBondContact O-CG2 3.5Å; R477-V481 PolarHBondContact O-N 3.47Å; Y478-V481 PolarHBondContact O-N 2.99Å; V481-K483 VanDerWaalsContact C-N 3.29Å; V481-K483 PolarHBondContact O-N 3.45Å; V481-V484 PolarHBondContact O-N 3.14Å |
| 482 | T | 52.4 | Low | 56.2 | Low | 67 Ų | 67 | 113.2 Ų | 113.2 | 41% | 0.411 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.3 | -22.1 | 175.3 | 38.6 | 0 | 0 | 0 | 0 | 113.9 | Y478 K479 S480 T641 | Y478-T482 PolarHBondContact O-N 3.2Å; Y478-T482 VanDerWaalsContact O-N 3.1Å; Y478-T482 PolarHBondContact O-OG1 3.27Å; K479-T482 WeakPolarHBondContact CA-OG1 3.36Å; K479-T482 PolarHBondContact O-OG1 3.42Å; S480-T482 VanDerWaalsContact C-N 3.31Å; S480-T482 PolarHBondContact O-N 2.83Å; T482-T641 HydrophobicContact CG2-CG2 4.4Å |
| 483 | K | 48.7 | Very low | 53.2 | Low | 171 Ų | 171 | 115.2 Ų | 115.2 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.7 | -23.1 | 171.9 | -86.6 | -172.6 | 174.8 | -176.7 | 0 | 113.9 | S480 V481 G485 | S480-K483 PolarHBondContact O-N 2.82Å; S480-K483 VanDerWaalsContact O-N 3.11Å; V481-K483 VanDerWaalsContact C-N 3.29Å; V481-K483 PolarHBondContact O-N 3.45Å; K483-G485 VanDerWaalsContact C-N 3.26Å; K483-G485 PolarHBondContact O-N 3.5Å |
| 484 | V | 43.3 | Very low | 50.4 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.8 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | S480 V481 T486 | S480-V484 WeakPolarHBondContact O-CG2 3.34Å; S480-V484 PolarHBondContact O-N 3.21Å; V481-V484 PolarHBondContact O-N 3.14Å; V484-T486 PolarHBondContact O-N 2.86Å |
| 485 | G | 37.9 | Very low | 47.6 | Very low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -1.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K483 | K483-G485 VanDerWaalsContact C-N 3.26Å; K483-G485 PolarHBondContact O-N 3.5Å |
| 486 | T | 31.7 | Very low | 45.1 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -140.3 | 99.5 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | V484 | V484-T486 PolarHBondContact O-N 2.86Š|
| 487 | L | 31 | Very low | 42.6 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | trans | 163.2 | 121.3 | 134.6 | -83.6 | 160.2 | 0 | 0 | 0 | 110.6 | ||||
| 488 | D | 30 | Very low | 40.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -62.7 | 146.5 | 174 | -76.2 | -43.5 | 0 | 0 | 0 | 113.4 | ||||
| 489 | E | 29.3 | Very low | 38.1 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 59.6 | 127.1 | 138 | -64.4 | -177.4 | 174.3 | 0 | 0 | 121.5 | ||||
| 490 | N | 29.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 79.4 | 101.9 | 154.2 | -57.6 | -32.7 | 0 | 0 | 0 | 117.5 | ||||
| 491 | E | 30.7 | Very low | 34.3 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | -165.9 | 134.4 | 106.7 | -102.3 | 172.9 | -171.5 | 0 | 0 | 111.7 | |||||
| 492 | T | 29.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -89.7 | 134.7 | -172.5 | 44 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 493 | A | 27.3 | Very low | 31.5 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 52.5 | 106.5 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 494 | T | 31.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -149.3 | 117.6 | 130.7 | 40.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 495 | K | 27.6 | Very low | 29.6 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 131.7 | 163.4 | -75.9 | 175.5 | 171.5 | -179.9 | 0 | 107.7 | ||||
| 496 | D | 31.9 | Very low | 28.9 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 136 | 147.9 | -95.2 | -30.8 | 0 | 0 | 0 | 109.1 | ||||
| 497 | D | 31.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 140 | -171.6 | -78.9 | -48.9 | 0 | 0 | 0 | 113 | ||||
| 498 | N | 28.4 | Very low | 28.3 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | 51.9 | 132.4 | 127.7 | -140.3 | 7.7 | 0 | 0 | 0 | 121.1 | |||||
| 499 | N | 30.7 | Very low | 28 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | trans | 104.1 | 112.5 | 144.3 | -142 | 10.2 | 0 | 0 | 0 | 118.8 | ||||
| 500 | N | 26.7 | Very low | 27.9 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 34.8 | 112.9 | 144.9 | -83.3 | -26 | 0 | 0 | 0 | 119.7 | ||||
| 501 | N | 31.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -156.5 | 112.3 | 130.6 | -99.8 | -27 | 0 | 0 | 0 | 110.5 | I503 | N501-I503 PolarHBondContact O-N 2.8Š| ||
| 502 | G | 25.1 | Very low | 27.7 | Very low | 80 Ų | 80 | 149.7 Ų | 149.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 113.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 503 | I | 27.3 | Very low | 27.4 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 119.7 | 160 | -63.8 | -177.3 | 0 | 0 | 0 | 109.3 | N501 | N501-I503 PolarHBondContact O-N 2.8Š| ||
| 504 | N | 24.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -54.1 | 117.9 | 173.1 | -154.9 | -4.7 | 0 | 0 | 0 | 111.4 | ||||
| 505 | I | 28 | Very low | 27.1 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -128.2 | 94.2 | 171.8 | -59.1 | -179.7 | 0 | 0 | 0 | 109.6 | ||||
| 506 | Q | 23.4 | Very low | 27.3 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | -94.1 | 138.7 | 157.5 | -172.5 | 72.7 | 0.4 | 0 | 0 | 108 | ||||
| 507 | K | 24.3 | Very low | 26.9 | Very low | 191 Ų | 191 | 160 Ų | 160 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | 102.1 | 107.5 | 170.6 | -61.4 | 176.1 | 178 | 174.5 | 0 | 115.8 | ||||
| 508 | S | 26.4 | Very low | 26.8 | Very low | 112 Ų | 112 | 164.5 Ų | 164.5 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | 170.1 | 90.1 | 109.8 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 509 | L | 23.6 | Very low | 26.6 | Very low | 182 Ų | 182 | 164.1 Ų | 164.1 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -85.9 | 111.2 | 159.7 | -87.3 | 156.9 | 0 | 0 | 0 | 107.1 | ||||
| 510 | D | 26 | Very low | 26.6 | Very low | 113 Ų | 113 | 163.5 Ų | 163.5 | 60% | 0.604 | 82% | 0.817 | S | S | * | * | trans | -152 | 128.1 | 169.9 | -134.6 | 5.6 | 0 | 0 | 0 | 112.4 | ||||
| 511 | K | 26.5 | Very low | 26.5 | Very low | 171 Ų | 171 | 166.7 Ų | 166.7 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | trans | 70.3 | 104.9 | 157.6 | -63.4 | 162.8 | -178.6 | 122.1 | 0 | 119.4 | ||||
| 512 | K | 29.9 | Very low | 26.4 | Very low | 218 Ų | 218 | 168.2 Ų | 168.2 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | trans | -146.7 | 105.7 | 130.6 | -110.7 | 170.1 | -172.3 | 173.9 | 0 | 112.2 | ||||
| 513 | K | 22.9 | Very low | 26.3 | Very low | 199 Ų | 199 | 169.6 Ų | 169.6 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -70.7 | 146.2 | 165.2 | -71.1 | 173.3 | 171.6 | 175.2 | 0 | 110.7 | ||||
| 514 | K | 29.7 | Very low | 26.3 | Very low | 207 Ų | 207 | 170.8 Ų | 170.8 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | 168.6 | 102.6 | 136.4 | -95.4 | 169.1 | -179.9 | -178.1 | 0 | 108.9 | ||||
| 515 | S | 24.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 168.5 Ų | 168.5 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | 66.4 | 100.4 | 87.2 | 178 | 0 | 0 | 0 | 0 | 115 | |||||
| 516 | K | 31.5 | Very low | 26.5 | Very low | 214 Ų | 214 | 168.3 Ų | 168.3 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -155.5 | 107.7 | 137.7 | -110.6 | 173.2 | -175.6 | 176.7 | 0 | 110.7 | ||||
| 517 | R | 23.2 | Very low | 26.6 | Very low | 226 Ų | 226 | 165.7 Ų | 165.7 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -68.6 | 145.8 | 169 | -82.7 | 168.9 | 148.5 | 167.1 | -7.6 | 111 | ||||
| 518 | R | 28.6 | Very low | 26.6 | Very low | 254 Ų | 254 | 166 Ų | 166 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | -150.7 | 133.1 | 137.9 | -109.3 | 177.8 | 175.8 | 177.7 | -2.3 | 110.3 | ||||
| 519 | N | 24.5 | Very low | 26.8 | Very low | 145 Ų | 145 | 168.2 Ų | 168.2 | 78% | 0.775 | 84% | 0.839 | S | S | * | * | trans | -90.1 | 143.4 | -172.4 | -78.3 | -20.3 | 0 | 0 | 0 | 112.3 | ||||
| 520 | S | 30.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 164.8 Ų | 164.8 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -166.4 | 96.1 | 146.3 | 49.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 521 | K | 24.9 | Very low | 27.1 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | 58.5 | 120.8 | 87.6 | -88.7 | -169.1 | 175.3 | -176.4 | 0 | 115 | |||||
| 522 | E | 28.6 | Very low | 27 | Very low | 183 Ų | 183 | 166.2 Ų | 166.2 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | 123.7 | 90.7 | 163.5 | -73.5 | 176.8 | 179.1 | 0 | 0 | 110.7 | ||||
| 523 | S | 23.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 165.9 Ų | 165.9 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | 59.5 | 102.5 | 77.9 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 524 | I | 28.7 | Very low | 26.9 | Very low | 164 Ų | 164 | 167.8 Ų | 167.8 | 84% | 0.841 | 85% | 0.848 | S | S | * | * | -160.2 | 136.3 | 91.8 | -84.3 | 150.5 | 0 | 0 | 0 | 110.1 | |||||
| 525 | S | 24.3 | Very low | 26.8 | Very low | 107 Ų | 107 | 166.9 Ų | 166.9 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | trans | -74.7 | 137.8 | 177.4 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 526 | V | 30.7 | Very low | 27 | Very low | 145 Ų | 145 | 168.1 Ų | 168.1 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | trans | -127.2 | 136.3 | 148.9 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 527 | S | 26.9 | Very low | 26.7 | Very low | 110 Ų | 110 | 168.1 Ų | 168.1 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -76.8 | 138.5 | -151.5 | -40.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 528 | E | 24 | Very low | 26.9 | Very low | 198 Ų | 198 | 168.3 Ų | 168.3 | 93% | 0.925 | 85% | 0.851 | S | S | * | * | trans | -64.4 | 130.1 | 157 | -65.7 | 175.8 | 141.7 | 0 | 0 | 109.3 | ||||
| 529 | D | 30.1 | Very low | 26.6 | Very low | 157 Ų | 157 | 168.4 Ų | 168.4 | 84% | 0.84 | 85% | 0.851 | S | S | * | * | trans | -128.7 | 146.3 | 146.9 | -159.5 | 9.8 | 0 | 0 | 0 | 110 | ||||
| 530 | S | 26.7 | Very low | 26.7 | Very low | 110 Ų | 110 | 172.3 Ų | 172.3 | 77% | 0.769 | 86% | 0.855 | S | S | * | * | trans | -106.1 | 122.8 | -151.7 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 531 | G | 29.7 | Very low | 26.5 | Very low | 81 Ų | 81 | 173.5 Ų | 173.5 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | trans | -148.8 | 66.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K533 | G531-K533 PolarHBondContact O-N 2.89Š| ||
| 532 | R | 23.7 | Very low | 26.7 | Very low | 234 Ų | 234 | 174.9 Ų | 174.9 | 88% | 0.883 | 86% | 0.857 | S | S | * | * | trans | -81.5 | 103.1 | -177.7 | -166.2 | -179.4 | -163.8 | -179.8 | 4.3 | 110.6 | ||||
| 533 | K | 28.5 | Very low | 26.5 | Very low | 210 Ų | 210 | 177.5 Ų | 177.5 | 91% | 0.913 | 86% | 0.859 | S | S | * | * | trans | -140.6 | 107.8 | 155.2 | -79.2 | -168.1 | 179.8 | 174.3 | 0 | 111.4 | G531 | G531-K533 PolarHBondContact O-N 2.89Š| ||
| 534 | R | 23.3 | Very low | 26.7 | Very low | 239 Ų | 239 | 177.3 Ų | 177.3 | 90% | 0.902 | 86% | 0.858 | S | S | * | * | trans | -74.2 | 122.4 | 165.6 | -72.2 | 174.9 | 167.5 | -176.3 | -5.9 | 108.5 | ||||
| 535 | Q | 27.7 | Very low | 26.9 | Very low | 188 Ų | 188 | 177.4 Ų | 177.4 | 88% | 0.879 | 86% | 0.859 | S | S | * | * | trans | -147.9 | 128.2 | 153.9 | -128.8 | 172.7 | -0.2 | 0 | 0 | 109.9 | ||||
| 536 | T | 27.5 | Very low | 27.1 | Very low | 137 Ų | 137 | 179.7 Ų | 179.7 | 84% | 0.84 | 86% | 0.863 | S | S | * | * | trans | -63.5 | 121.9 | -174.3 | 43 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 537 | F | 25.5 | Very low | 27.3 | Very low | 214 Ų | 214 | 178.3 Ų | 178.3 | 94% | 0.939 | 86% | 0.86 | S | S | * | * | trans | -88.3 | 103.8 | 174 | -130.1 | -100.5 | 0 | 0 | 0 | 109.5 | ||||
| 538 | R | 26.4 | Very low | 27.5 | Very low | 230 Ų | 230 | 179.5 Ų | 179.5 | 87% | 0.868 | 86% | 0.858 | S | S | * | * | trans | -78.6 | 128.6 | 167.4 | -91.4 | -178.6 | 165.7 | 160.3 | -4.7 | 109.1 | R540 | R538-R540 PolarHBondContact O-N 3.49Š| ||
| 539 | R | 23.6 | Very low | 28.1 | Very low | 256 Ų | 256 | 178.4 Ų | 178.4 | 97% | 0.966 | 86% | 0.858 | S | S | * | * | trans | -41.2 | 117.3 | 167.8 | -81.3 | 173.1 | 163.6 | 153.8 | -6.6 | 110.7 | ||||
| 540 | R | 25.8 | Very low | 28.1 | Very low | 227 Ų | 227 | 178.5 Ų | 178.5 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | trans | -120 | 110.2 | 167.8 | -163.6 | 172.5 | -170.3 | 163.6 | 1.9 | 107.4 | R538 R542 | R538-R540 PolarHBondContact O-N 3.49Å; R540-R542 PolarHBondContact O-N 3.45Å | ||
| 541 | V | 27.4 | Very low | 28.4 | Very low | 140 Ų | 140 | 182.7 Ų | 182.7 | 85% | 0.848 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.8 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | ||
| 542 | R | 28.8 | Very low | 28.3 | Very low | 232 Ų | 232 | 187 Ų | 187 | 88% | 0.875 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 116.4 | 173.7 | -85.6 | -177.7 | 171.1 | 165.7 | -3.3 | 108.2 | R540 | R540-R542 PolarHBondContact O-N 3.45Š|
| 543 | R | 24.1 | Very low | 28.7 | Very low | 238 Ų | 238 | 185 Ų | 185 | 90% | 0.898 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 128.5 | 157.3 | -73.9 | 177.2 | 171.7 | 170.4 | -4.4 | 108.2 | ||
| 544 | S | 28.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 179.6 Ų | 179.6 | 75% | 0.748 | 86% | 0.855 | S | S | * | * | trans | -169.3 | 127.8 | 159.2 | -91.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 545 | L | 31.4 | Very low | 29 | Very low | 165 Ų | 165 | 173.9 Ų | 173.9 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | 92.5 | 107.9 | 143.1 | -63.5 | 161.6 | 0 | 0 | 0 | 118.4 | ||||
| 546 | D | 29.4 | Very low | 29.1 | Very low | 156 Ų | 156 | 171.7 Ų | 171.7 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | -50.8 | 142.5 | 159.5 | -58 | -54.7 | 0 | 0 | 0 | 113.1 | ||||
| 547 | S | 33.7 | Very low | 29.3 | Very low | 115 Ų | 115 | 171 Ų | 171 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -153.7 | 124.3 | 141.6 | 59.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 548 | D | 31.8 | Very low | 29.6 | Very low | 136 Ų | 136 | 167.7 Ų | 167.7 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -62.6 | 139.6 | -174.5 | -49.2 | -66.8 | 0 | 0 | 0 | 113.4 | ||||
| 549 | D | 36 | Very low | 29.9 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -147.8 | 98.2 | 142.5 | -91.1 | -35.4 | 0 | 0 | 0 | 107.2 | E551 | D549-E551 PolarHBondContact O-N 3.11Š| ||
| 550 | E | 31.6 | Very low | 30.2 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -76.7 | 109.9 | 173.8 | -66.3 | -174.3 | 164.9 | 0 | 0 | 109.9 | ||||
| 551 | E | 32.4 | Very low | 30.4 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -110.8 | 107.2 | 151.5 | -82.9 | -170.1 | 165.1 | 0 | 0 | 108.8 | D549 Q553 | D549-E551 PolarHBondContact O-N 3.11Å; E551-Q553 PolarHBondContact O-N 3.08Å | ||
| 552 | Q | 28.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 115.3 | 175.2 | -66.4 | 166.2 | 3.8 | 0 | 0 | 109.5 | ||||
| 553 | Q | 31.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -132.3 | 132.4 | 160.9 | -101.7 | 175 | -1 | 0 | 0 | 110.5 | E551 | E551-Q553 PolarHBondContact O-N 3.08Š| ||
| 554 | A | 29.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -64.3 | 137.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D556 | A554-D556 PolarHBondContact O-N 3.21Š| ||
| 555 | T | 27.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -76 | 108.4 | 172.3 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 556 | D | 30.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -119.6 | 112 | 156.5 | -77.2 | -35.2 | 0 | 0 | 0 | 106.3 | A554 D558 | A554-D556 PolarHBondContact O-N 3.21Å; D556-D558 PolarHBondContact O-N 3.42Å | ||
| 557 | D | 31.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 100.8 | -179.1 | -70.3 | -43.3 | 0 | 0 | 0 | 108.6 | K686 | D557-K686 IonicContact OD1-NZ 2.67Š| ||
| 558 | D | 32.5 | Very low | 30 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 110.8 | 164 | -77.5 | -37.9 | 0 | 0 | 0 | 108 | D556 | D556-D558 PolarHBondContact O-N 3.42Š| ||
| 559 | D | 30.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | -71 | 130 | 177.5 | -74.2 | -42.5 | 0 | 0 | 0 | 110.8 | ||||
| 560 | E | 31.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -72.8 | 122.3 | 177.5 | -64.6 | 171.8 | 166.5 | 0 | 0 | 110 | E562 | E560-E562 PolarHBondContact O-N 2.93Š| ||
| 561 | E | 29.5 | Very low | 29.2 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 52% | 0.519 | 78% | 0.783 | S | S | . | * | trans | -81.2 | 97.1 | 167.7 | -66.3 | -162.4 | -179.2 | 0 | 0 | 108.1 | R1266 I1269 | E561-R1266 VanDerWaalsContact CD-NH1 3.35Å; E561-R1266 IonicContact OE1-CZ 3.62Å; E561-R1266 IonicContact OE1-NH1 3.62Å; E561-R1266 PolarHBondContact OE1-NH1 3.14Å; E561-R1266 IonicContact OE2-CZ 2.81Å; E561-R1266 IonicContact OE2-NH1 3.66Å; E561-R1266 PolarHBondContact OE2-NH1 2.79Å; E561-R1266 IonicContact OE2-NH2 3.67Å; E561-R1266 PolarHBondContact OE2-NH2 2.93Å; E561-I1269 HydrophobicContact CG-CD1 4.48Å | ||
| 562 | E | 29 | Very low | 29 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -76.9 | 120.8 | 165.4 | -73.7 | -154.7 | 160.6 | 0 | 0 | 109.4 | E560 D564 | E560-E562 PolarHBondContact O-N 2.93Å; E562-D564 PolarHBondContact O-N 3.01Å | ||
| 563 | E | 29.2 | Very low | 28.9 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -78.2 | 115.3 | 174 | -70.2 | -178.4 | 162.5 | 0 | 0 | 109.9 | Q565 | E563-Q565 PolarHBondContact O-N 3.41Š| ||
| 564 | D | 27.9 | Very low | 28.8 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -63.3 | 123 | 170.3 | -81 | -41.3 | 0 | 0 | 0 | 110.3 | E562 E566 | E562-D564 PolarHBondContact O-N 3.01Å; D564-E566 PolarHBondContact O-N 3.3Å | ||
| 565 | Q | 27 | Very low | 28.8 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 115.1 | 174.3 | -66.1 | 161.3 | 37.4 | 0 | 0 | 109.5 | E563 E567 | E563-Q565 PolarHBondContact O-N 3.41Å; Q565-E567 PolarHBondContact O-N 3.4Å | ||
| 566 | E | 26.8 | Very low | 28.9 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 123.7 | 163.3 | -72.9 | -172.8 | 165 | 0 | 0 | 108.3 | D564 E568 | D564-E566 PolarHBondContact O-N 3.3Å; E566-E568 PolarHBondContact O-N 3.39Å; E566-E568 VanDerWaalsContact O-N 3.12Å | ||
| 567 | E | 27.9 | Very low | 28.7 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -52.4 | 115 | -179.3 | -67.9 | -172.2 | 159.7 | 0 | 0 | 111 | Q565 S569 | Q565-E567 PolarHBondContact O-N 3.4Å; E567-S569 PolarHBondContact O-N 2.87Å | ||
| 568 | E | 26.3 | Very low | 28.8 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -58.4 | 113.7 | 169 | -72.4 | -178.8 | 154.8 | 0 | 0 | 109.1 | E566 D570 | E566-E568 PolarHBondContact O-N 3.39Å; E566-E568 VanDerWaalsContact O-N 3.12Å; E568-D570 PolarHBondContact O-N 3.24Å | ||
| 569 | S | 27.3 | Very low | 28.7 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 116.7 | 162.5 | 56.2 | 0 | 0 | 0 | 0 | 108.7 | E567 D571 | E567-S569 PolarHBondContact O-N 2.87Å; S569-D571 PolarHBondContact O-N 3.42Å | ||
| 570 | D | 26.6 | Very low | 28.7 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -52.8 | 91.5 | 171.7 | -70.8 | -46.3 | 0 | 0 | 0 | 111.6 | E568 | E568-D570 PolarHBondContact O-N 3.24Š| ||
| 571 | D | 28.7 | Very low | 28.7 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 99.8 | 161.2 | -81.2 | -30.3 | 0 | 0 | 0 | 108.2 | S569 V573 | S569-D571 PolarHBondContact O-N 3.42Å; D571-V573 WeakPolarHBondContact O-CG2 3.33Å; D571-V573 PolarHBondContact O-N 2.99Å | ||
| 572 | E | 27.8 | Very low | 28.6 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -53 | 102.1 | 166.7 | -78.5 | -178.2 | 145.7 | 0 | 0 | 109.3 | D574 | E572-D574 PolarHBondContact O-N 3.46Å; E572-D574 VanDerWaalsContact O-N 3.14Å | ||
| 573 | V | 27.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -80 | 98.2 | 173.7 | -156.8 | 0 | 0 | 0 | 0 | 108.1 | D571 V575 | D571-V573 WeakPolarHBondContact O-CG2 3.33Å; D571-V573 PolarHBondContact O-N 2.99Å; V573-V575 PolarHBondContact O-N 2.88Å | ||
| 574 | D | 29.6 | Very low | 28.5 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -53.7 | 125.6 | 170.9 | -98.8 | -36.4 | 0 | 0 | 0 | 110.4 | E572 D576 | E572-D574 PolarHBondContact O-N 3.46Å; E572-D574 VanDerWaalsContact O-N 3.14Å; D574-D576 VanDerWaalsContact C-N 3.25Å; D574-D576 PolarHBondContact O-N 3.48Å | ||
| 575 | V | 29.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 78.7 | 178.9 | -178 | 0 | 0 | 0 | 0 | 108.6 | V573 N577 | V573-V575 PolarHBondContact O-N 2.88Å; V575-N577 PolarHBondContact O-N 3.26Å | ||
| 576 | D | 29.9 | Very low | 28.9 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 103.7 | 170.9 | -110.7 | -12.8 | 0 | 0 | 0 | 110.6 | D574 S578 | D574-D576 VanDerWaalsContact C-N 3.25Å; D574-D576 PolarHBondContact O-N 3.48Å; D576-S578 PolarHBondContact O-N 3.3Å | ||
| 577 | N | 27.4 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -63.8 | 84.4 | 176.1 | -176 | 28.3 | 0 | 0 | 0 | 110.8 | V575 | V575-N577 PolarHBondContact O-N 3.26Š| ||
| 578 | S | 32.3 | Very low | 30 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -114.3 | 99.2 | 170.9 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | D576 | D576-S578 PolarHBondContact O-N 3.3Š| ||
| 579 | N | 31.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 14.3 | 112.7 | 153.1 | -71.4 | -27.7 | 0 | 0 | 0 | 118.2 | A581 | N579-A581 PolarHBondContact O-N 2.9Å; N579-A581 VanDerWaalsContact O-N 3.13Å | ||
| 580 | D | 29.3 | Very low | 31.6 | Very low | 179 Ų | 179 | 131 Ų | 131 | 96% | 0.957 | 75% | 0.75 | S | S | * | * | trans | -39.5 | 108.6 | 164.4 | -75.9 | -42.8 | 0 | 0 | 0 | 113.2 | ||||
| 581 | A | 31.5 | Very low | 33 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -115.6 | 99.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | N579 V583 | N579-A581 PolarHBondContact O-N 2.9Å; N579-A581 VanDerWaalsContact O-N 3.13Å; A581-V583 PolarHBondContact O-N 3.32Å; A581-V583 VanDerWaalsContact O-N 3.12Å | ||
| 582 | N | 29 | Very low | 34.3 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | 10.2 | 85 | 159.7 | -91.6 | -13.9 | 0 | 0 | 0 | 116 | ||||
| 583 | V | 27.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | trans | -104.3 | 114.7 | 156.7 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | A581 L585 | A581-V583 PolarHBondContact O-N 3.32Å; A581-V583 VanDerWaalsContact O-N 3.12Å; V583-L585 PolarHBondContact O-N 3.36Å | ||
| 584 | T | 27.2 | Very low | 37.2 | Very low | 135 Ų | 135 | 113.7 Ų | 113.7 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | trans | -67.8 | 75.8 | -177.6 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 585 | L | 27.6 | Very low | 39 | Very low | 131 Ų | 131 | 109 Ų | 109 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | trans | -61.5 | 137.5 | 164 | -76.8 | 161.9 | 0 | 0 | 0 | 108.1 | V583 P587 | V583-L585 PolarHBondContact O-N 3.36Å; L585-P587 WeakPolarHBondContact O-CD 3.37Å; L585-P587 VanDerWaalsContact O-N 3.08Å | ||
| 586 | C | 36.3 | Very low | 40.5 | Very low | 92 Ų | 92 | 102.7 Ų | 102.7 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | trans | -51 | 117.5 | -179.8 | -154.4 | 0 | 0 | 0 | 0 | 109 | T588 | C586-T588 PolarHBondContact O-N 3.15Š| ||
| 587 | P | 34 | Very low | 42.1 | Very low | 84 Ų | 84 | 97.2 Ų | 97.2 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -6.2 | -168.2 | -21.8 | 31.7 | 0 | 0 | 0 | 114.5 | L585 L591 | L585-P587 WeakPolarHBondContact O-CD 3.37Å; L585-P587 VanDerWaalsContact O-N 3.08Å; P587-L591 WeakPolarHBondContact O-CB 3.44Å; P587-L591 PolarHBondContact O-N 3.07Å |
| 588 | T | 44.3 | Very low | 44 | Very low | 83 Ų | 83 | 95.9 Ų | 95.9 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.5 | -40.2 | -173.3 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | C586 E590 L591 D592 | C586-T588 PolarHBondContact O-N 3.15Å; T588-E590 PolarHBondContact O-N 3.34Å; T588-L591 PolarHBondContact O-N 3.31Å; T588-D592 WeakPolarHBondContact O-CB 3.45Å; T588-D592 PolarHBondContact O-N 3.05Å |
| 589 | A | 41.6 | Very low | 45.6 | Very low | 56 Ų | 56 | 92.5 Ų | 92.5 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A593 | A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 3Å |
| 590 | E | 44.4 | Very low | 47 | Very low | 145 Ų | 145 | 85.5 Ų | 85.5 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.6 | -38.5 | 175 | -69.8 | -175.8 | 171.1 | 0 | 0 | 111.6 | T588 D592 A593 A594 | T588-E590 PolarHBondContact O-N 3.34Å; E590-D592 VanDerWaalsContact C-N 3.34Å; E590-A593 PolarHBondContact O-N 3.02Å; E590-A594 VanDerWaalsContact O-CB 3.29Å; E590-A594 WeakPolarHBondContact O-CB 3.45Å; E590-A594 PolarHBondContact O-N 3.48Å |
| 591 | L | 56.7 | Low | 48.6 | Very low | 117 Ų | 117 | 80 Ų | 80 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 173.9 | -116.9 | 140 | 0 | 0 | 0 | 111.7 | P587 T588 A594 A595 | P587-L591 WeakPolarHBondContact O-CB 3.44Å; P587-L591 PolarHBondContact O-N 3.07Å; T588-L591 PolarHBondContact O-N 3.31Å; L591-A594 PolarHBondContact O-N 3.35Å; L591-A595 WeakPolarHBondContact O-CB 3.28Å; L591-A595 PolarHBondContact O-N 2.86Å |
| 592 | D | 55.4 | Low | 50.3 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 179.6 | -76.6 | -20.2 | 0 | 0 | 0 | 111.7 | T588 E590 A595 A596 | T588-D592 WeakPolarHBondContact O-CB 3.45Å; T588-D592 PolarHBondContact O-N 3.05Å; E590-D592 VanDerWaalsContact C-N 3.34Å; D592-A595 PolarHBondContact O-N 3.38Å; D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.18Å |
| 593 | A | 56.1 | Low | 52 | Low | 12 Ų | 12 | 76 Ų | 76 | 10% | 0.099 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | L452 A589 E590 A596 L597 | L452-A593 HydrophobicContact CD2-CB 4.19Å; L452-A593 WeakPolarHBondContact CD2-O 3.27Å; A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 3Å; E590-A593 PolarHBondContact O-N 3.02Å; A593-A596 PolarHBondContact O-N 3.5Å; A593-L597 VanDerWaalsContact O-CB 3.27Å; A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 PolarHBondContact O-N 3.22Å |
| 594 | A | 61.3 | Low | 53.5 | Low | 49 Ų | 49 | 70 Ų | 70 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E590 L591 L597 E598 | E590-A594 VanDerWaalsContact O-CB 3.29Å; E590-A594 WeakPolarHBondContact O-CB 3.45Å; E590-A594 PolarHBondContact O-N 3.48Å; L591-A594 PolarHBondContact O-N 3.35Å; A594-L597 WeakPolarHBondContact O-CB 3.36Å; A594-L597 PolarHBondContact O-N 2.92Å; A594-E598 WeakPolarHBondContact O-CG 3.46Å; A594-E598 PolarHBondContact O-N 3.37Å |
| 595 | A | 66.2 | Low | 55.2 | Low | 48 Ų | 48 | 65.6 Ų | 65.6 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L591 D592 L597 E598 A599 | L591-A595 WeakPolarHBondContact O-CB 3.28Å; L591-A595 PolarHBondContact O-N 2.86Å; D592-A595 PolarHBondContact O-N 3.38Å; A595-L597 VanDerWaalsContact C-N 3.27Å; A595-L597 PolarHBondContact O-N 3.32Å; A595-E598 PolarHBondContact O-N 3.21Å; A595-A599 VanDerWaalsContact O-CB 3.28Å; A595-A599 WeakPolarHBondContact O-CB 3.34Å; A595-A599 PolarHBondContact O-N 3.19Å |
| 596 | A | 62.2 | Low | 56.8 | Low | 6 Ų | 6 | 62.5 Ų | 62.5 | 5% | 0.05 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P448 K451 L452 D592 A593 A600 | P448-A596 WeakPolarHBondContact O-CB 3.41Å; K451-A596 HydrophobicContact CB-CB 4.22Å; K451-A596 HydrophobicContact CD-CB 4.47Å; L452-A596 HydrophobicContact CG-CB 4.4Å; D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.18Å; A593-A596 PolarHBondContact O-N 3.5Å; A596-A600 VanDerWaalsContact O-CB 3.31Å; A596-A600 WeakPolarHBondContact O-CB 3.41Å; A596-A600 PolarHBondContact O-N 2.84Å |
| 597 | L | 63.5 | Low | 57.9 | Low | 39 Ų | 39 | 61.4 Ų | 61.4 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 175.7 | -174.4 | 69.1 | 0 | 0 | 0 | 112.3 | L452 V460 A593 A594 A595 A599 A600 I601 | L452-L597 HydrophobicContact CD1-CD1 4.08Å; L452-L597 HydrophobicContact CD2-CB 4.23Å; V460-L597 HydrophobicContact CB-CD1 4.18Å; V460-L597 HydrophobicContact CG1-CD1 4.09Å; V460-L597 HydrophobicContact CG2-CD1 3.76Å; V460-L597 HydrophobicContact CG2-CD2 3.7Å; V460-L597 HydrophobicContact CG2-CG 4.33Å; A593-L597 VanDerWaalsContact O-CB 3.27Å; A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 PolarHBondContact O-N 3.22Å; A594-L597 WeakPolarHBondContact O-CB 3.36Å; A594-L597 PolarHBondContact O-N 2.92Å; A595-L597 VanDerWaalsContact C-N 3.27Å; A595-L597 PolarHBondContact O-N 3.32Å; L597-A599 VanDerWaalsContact C-N 3.33Å; L597-A599 PolarHBondContact O-N 2.84Å; L597-A600 WeakPolarHBondContact O-CB 3.21Å; L597-A600 PolarHBondContact O-N 3.45Å; L597-I601 HydrophobicContact CG-CD1 4.19Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å; L597-I601 PolarHBondContact O-N 3.08Å |
| 598 | E | 65.9 | Low | 59 | Low | 125 Ų | 125 | 57.4 Ų | 57.4 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 174.2 | -76.3 | -173.2 | 170.9 | 0 | 0 | 110.8 | A594 A595 A600 I601 H602 | A594-E598 WeakPolarHBondContact O-CG 3.46Å; A594-E598 PolarHBondContact O-N 3.37Å; A595-E598 PolarHBondContact O-N 3.21Å; E598-A600 VanDerWaalsContact C-N 3.3Å; E598-A600 PolarHBondContact O-N 2.74Å; E598-I601 PolarHBondContact O-N 3.2Å; E598-H602 WeakPolarHBondContact O-CB 3.48Å; E598-H602 PolarHBondContact O-CD2 3.37Å; E598-H602 PolarHBondContact O-N 3.2Å |
| 599 | A | 66.2 | Low | 59.4 | Low | 36 Ų | 36 | 56.5 Ų | 56.5 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P448 A595 L597 S603 | P448-A599 HydrophobicContact CB-CB 4.33Å; A595-A599 VanDerWaalsContact O-CB 3.28Å; A595-A599 WeakPolarHBondContact O-CB 3.34Å; A595-A599 PolarHBondContact O-N 3.19Å; L597-A599 VanDerWaalsContact C-N 3.33Å; L597-A599 PolarHBondContact O-N 2.84Å; A599-S603 VanDerWaalsContact O-CB 3.31Å; A599-S603 WeakPolarHBondContact O-CB 3.49Å; A599-S603 PolarHBondContact O-N 3.49Å; A599-S603 PolarHBondContact O-OG 3.14Å |
| 600 | A | 61.5 | Low | 59.8 | Low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A596 L597 E598 S603 A604 Y661 | A596-A600 VanDerWaalsContact O-CB 3.31Å; A596-A600 WeakPolarHBondContact O-CB 3.41Å; A596-A600 PolarHBondContact O-N 2.84Å; L597-A600 WeakPolarHBondContact O-CB 3.21Å; L597-A600 PolarHBondContact O-N 3.45Å; E598-A600 VanDerWaalsContact C-N 3.3Å; E598-A600 PolarHBondContact O-N 2.74Å; A600-S603 PolarHBondContact O-N 2.74Å; A600-A604 WeakPolarHBondContact O-CB 3.16Å; A600-A604 PolarHBondContact O-N 2.9Å; A600-Y661 HydrophobicContact CB-CE1 3.95Å; A600-Y661 WeakPolarHBondContact O-CE1 3.36Å |
| 601 | I | 62.4 | Low | 60 | Low | 64 Ų | 64 | 52.1 Ų | 52.1 | 33% | 0.328 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 177.3 | -66.1 | 166.7 | 0 | 0 | 0 | 111.2 | L597 E598 A604 A605 | L597-I601 HydrophobicContact CG-CD1 4.19Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å; L597-I601 PolarHBondContact O-N 3.08Å; E598-I601 PolarHBondContact O-N 3.2Å; I601-A604 WeakPolarHBondContact O-CB 3.07Å; I601-A604 PolarHBondContact O-N 2.93Å; I601-A605 PolarHBondContact O-N 2.99Å |
| 602 | H | 66.4 | Low | 59.3 | Low | 133 Ų | 133 | 50 Ų | 50 | 62% | 0.616 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 175.8 | -81.7 | -66.6 | 0 | 0 | 0 | 111.9 | E598 A604 A605 A606 | E598-H602 WeakPolarHBondContact O-CB 3.48Å; E598-H602 PolarHBondContact O-CD2 3.37Å; E598-H602 PolarHBondContact O-N 3.2Å; H602-A604 VanDerWaalsContact C-N 3.34Å; H602-A605 PolarHBondContact O-N 3.35Å; H602-A606 PolarHBondContact O-N 3.41Å |
| 603 | S | 64.7 | Low | 58.3 | Low | 38 Ų | 38 | 53.5 Ų | 53.5 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | A599 A600 A605 A606 V607 | A599-S603 VanDerWaalsContact O-CB 3.31Å; A599-S603 WeakPolarHBondContact O-CB 3.49Å; A599-S603 PolarHBondContact O-N 3.49Å; A599-S603 PolarHBondContact O-OG 3.14Å; A600-S603 PolarHBondContact O-N 2.74Å; S603-A605 VanDerWaalsContact C-N 3.34Å; S603-A605 PolarHBondContact O-N 3.48Å; S603-A606 PolarHBondContact O-N 2.99Å; S603-V607 WeakPolarHBondContact O-CG2 3.14Å; S603-V607 PolarHBondContact O-N 3.29Å |
| 604 | A | 60.1 | Low | 57.4 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A600 I601 H602 V607 A608 C658 Y661 | A600-A604 WeakPolarHBondContact O-CB 3.16Å; A600-A604 PolarHBondContact O-N 2.9Å; I601-A604 WeakPolarHBondContact O-CB 3.07Å; I601-A604 PolarHBondContact O-N 2.93Å; H602-A604 VanDerWaalsContact C-N 3.34Å; A604-V607 PolarHBondContact O-N 3.17Å; A604-A608 PolarHBondContact O-N 3.12Å; A604-C658 HydrophobicContact CB-CB 4.28Å; A604-Y661 HydrophobicContact CB-CD1 3.41Å; A604-Y661 VanDerWaalsContact CB-CD1 3.41Å; A604-Y661 HydrophobicContact CB-CD2 4.48Å; A604-Y661 HydrophobicContact CB-CE1 4.1Å; A604-Y661 HydrophobicContact CB-CG 3.65Å |
| 605 | A | 61.8 | Low | 55.9 | Low | 42 Ų | 42 | 63.3 Ų | 63.3 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I601 H602 S603 A608 A609 | I601-A605 PolarHBondContact O-N 2.99Å; H602-A605 PolarHBondContact O-N 3.35Å; S603-A605 VanDerWaalsContact C-N 3.34Å; S603-A605 PolarHBondContact O-N 3.48Å; A605-A608 WeakPolarHBondContact O-CB 3.25Å; A605-A608 PolarHBondContact O-N 2.79Å; A605-A609 PolarHBondContact O-N 3.36Å |
| 606 | A | 62.2 | Low | 54.1 | Low | 65 Ų | 65 | 66.9 Ų | 66.9 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H602 S603 A608 A609 G610 | H602-A606 PolarHBondContact O-N 3.41Å; S603-A606 PolarHBondContact O-N 2.99Å; A606-A608 VanDerWaalsContact C-N 3.28Å; A606-A608 PolarHBondContact O-N 3.01Å; A606-A609 PolarHBondContact O-N 3.47Å; A606-G610 PolarHBondContact O-N 2.93Å |
| 607 | V | 60.1 | Low | 52.4 | Low | 69 Ų | 69 | 71.5 Ų | 71.5 | 42% | 0.418 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 111 | I408 S603 A604 G610 S611 | I408-V607 HydrophobicContact CD1-CG2 4.11Å; S603-V607 WeakPolarHBondContact O-CG2 3.14Å; S603-V607 PolarHBondContact O-N 3.29Å; A604-V607 PolarHBondContact O-N 3.17Å; V607-G610 PolarHBondContact O-N 3.26Å; V607-S611 PolarHBondContact O-N 3.1Å |
| 608 | A | 55.3 | Low | 50.7 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.008 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A604 A605 A606 G610 S611 V612 R654 A657 | A604-A608 PolarHBondContact O-N 3.12Å; A605-A608 WeakPolarHBondContact O-CB 3.25Å; A605-A608 PolarHBondContact O-N 2.79Å; A606-A608 VanDerWaalsContact C-N 3.28Å; A606-A608 PolarHBondContact O-N 3.01Å; A608-G610 VanDerWaalsContact C-N 3.29Å; A608-G610 PolarHBondContact O-N 2.96Å; A608-S611 PolarHBondContact O-N 3.24Å; A608-S611 VanDerWaalsContact O-N 3.09Å; A608-V612 PolarHBondContact O-N 3.26Å; A608-R654 HydrophobicContact CB-CB 4Å; A608-R654 HydrophobicContact CB-CG 3.67Å; A608-A657 HydrophobicContact CB-CB 3.81Å |
| 609 | A | 54.1 | Low | 48.8 | Very low | 63 Ų | 63 | 78.3 Ų | 78.3 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A605 A606 S611 V612 | A605-A609 PolarHBondContact O-N 3.36Å; A606-A609 PolarHBondContact O-N 3.47Å; A609-S611 PolarHBondContact O-N 3.04Å; A609-V612 PolarHBondContact O-N 2.86Å |
| 610 | G | 49.5 | Very low | 46.9 | Very low | 46 Ų | 46 | 83 Ų | 83 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -23.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A606 V607 A608 | A606-G610 PolarHBondContact O-N 2.93Å; V607-G610 PolarHBondContact O-N 3.26Å; A608-G610 VanDerWaalsContact C-N 3.29Å; A608-G610 PolarHBondContact O-N 2.96Å |
| 611 | S | 47.6 | Very low | 45.2 | Very low | 64 Ų | 64 | 90.4 Ų | 90.4 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -86.4 | -20.8 | 178.4 | -164.6 | 0 | 0 | 0 | 0 | 113.8 | V607 A608 A609 | V607-S611 PolarHBondContact O-N 3.1Å; A608-S611 PolarHBondContact O-N 3.24Å; A608-S611 VanDerWaalsContact O-N 3.09Å; A609-S611 PolarHBondContact O-N 3.04Å |
| 612 | V | 42.2 | Very low | 43.6 | Very low | 73 Ų | 73 | 93 Ų | 93 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.3 | -23.3 | -178.2 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | A608 A609 N614 | A608-V612 PolarHBondContact O-N 3.26Å; A609-V612 PolarHBondContact O-N 2.86Å; V612-N614 PolarHBondContact O-N 3.29Å |
| 613 | N | 35.3 | Very low | 41.7 | Very low | 149 Ų | 149 | 93.8 Ų | 93.8 | 80% | 0.797 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 9.7 | 176.8 | -91.7 | 2.5 | 0 | 0 | 0 | 115.4 | ||
| 614 | N | 37.6 | Very low | 39.9 | Very low | 119 Ų | 119 | 95.4 Ų | 95.4 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 12.2 | 178.5 | -82.3 | -18.5 | 0 | 0 | 0 | 115.3 | V612 P616 | V612-N614 PolarHBondContact O-N 3.29Å; N614-P616 WeakPolarHBondContact O-CD 3.46Å |
| 615 | N | 28.2 | Very low | 38.5 | Very low | 148 Ų | 148 | 103.3 Ų | 103.3 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | trans | -105.3 | 107.3 | 172.5 | -96.5 | -7.1 | 0 | 0 | 0 | 111.8 | S617 | N615-S617 PolarHBondContact O-N 2.87Š| ||
| 616 | P | 28.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 66% | 0.656 | S | S | * | * | trans | -88.2 | 87.6 | 175.5 | 34.1 | -29.3 | 0 | 0 | 0 | 109.9 | N614 | N614-P616 WeakPolarHBondContact O-CD 3.46Š| ||
| 617 | S | 26.7 | Very low | 35.3 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | trans | -178.4 | 141.2 | 156.1 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | N615 | N615-S617 PolarHBondContact O-N 2.87Š| ||
| 618 | V | 29 | Very low | 33.8 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | 107 | 72.9 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | N620 | V618-N620 HydrophobicContact CG1-CB 4.48Å; V618-N620 PolarHBondContact O-N 3.32Å | ||
| 619 | E | 24.9 | Very low | 32.5 | Very low | 194 Ų | 194 | 116.7 Ų | 116.7 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -53.8 | 110 | 149.4 | -67.7 | 173.1 | 148 | 0 | 0 | 108.4 | ||||
| 620 | N | 26.8 | Very low | 31.5 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | -116.7 | 95.3 | 165.4 | -97 | -10.2 | 0 | 0 | 0 | 109 | V618 C622 | V618-N620 HydrophobicContact CG1-CB 4.48Å; V618-N620 PolarHBondContact O-N 3.32Å; N620-C622 PolarHBondContact O-N 3.42Å | ||
| 621 | N | 26.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -57.6 | 107 | 157.9 | -94.1 | -25 | 0 | 0 | 0 | 109.2 | ||||
| 622 | C | 27.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -116.7 | 93.3 | 160.9 | -72.4 | 0 | 0 | 0 | 0 | 108.8 | N620 | N620-C622 PolarHBondContact O-N 3.42Š| ||
| 623 | I | 27.8 | Very low | 29 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 129.6 | 164.9 | -69.3 | 170.5 | 0 | 0 | 0 | 107.5 | ||||
| 624 | G | 26.9 | Very low | 28.8 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -63.4 | 133.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 625 | I | 30.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 136 Ų | 136 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -110.3 | 105.5 | 160.1 | -60.9 | 179.2 | 0 | 0 | 0 | 106.5 | ||||
| 626 | T | 27.2 | Very low | 28.5 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -75.1 | 129.4 | 165.4 | 41.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 627 | G | 28.7 | Very low | 29 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 153.7 | 119.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 628 | G | 29.5 | Very low | 29.6 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 98.1 | 105.8 | 140 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 629 | N | 27.2 | Very low | 30.4 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -50.2 | 133.9 | 163.2 | -61.2 | -28.3 | 0 | 0 | 0 | 112 | ||||
| 630 | D | 33.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -154.2 | 144.7 | 145.7 | -101.8 | -28.9 | 0 | 0 | 0 | 111.7 | ||||
| 631 | L | 31.1 | Very low | 33.4 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -69.1 | 148.2 | -167.2 | -74.2 | 93 | 0 | 0 | 0 | 114.4 | ||||
| 632 | M | 27 | Very low | 35.4 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | 33.1 | 87.3 | 141.3 | -62.6 | -71.7 | -154.3 | 0 | 0 | 116.9 | ||||
| 633 | T | 29.7 | Very low | 37.4 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | -133.3 | 103.7 | 152.3 | 26.2 | 0 | 0 | 0 | 0 | 109.3 | S635 | T633-S635 PolarHBondContact O-N 2.95Š| ||
| 634 | E | 29.1 | Very low | 39.5 | Very low | 194 Ų | 194 | 118 Ų | 118 | 91% | 0.907 | 71% | 0.713 | S | S | * | * | trans | -56.7 | 114.5 | 159.7 | -69.4 | -178.8 | 155.1 | 0 | 0 | 108.5 | ||||
| 635 | S | 31.7 | Very low | 41.9 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | 148.1 | 85.7 | 150.2 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | T633 | T633-S635 PolarHBondContact O-N 2.95Š| ||
| 636 | S | 29.6 | Very low | 44.1 | Very low | 125 Ų | 125 | 113.7 Ų | 113.7 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -134.2 | 72.1 | 154 | -68.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 637 | P | 39.2 | Very low | 46.6 | Very low | 105 Ų | 105 | 111.1 Ų | 111.1 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | trans | -69.3 | 159 | 153.1 | 33.4 | -28.8 | 0 | 0 | 0 | 107.7 | ||||
| 638 | L | 38.6 | Very low | 49.3 | Very low | 167 Ų | 167 | 108.4 Ų | 108.4 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | trans | 93.6 | 46.8 | -174.5 | -45.4 | 176.3 | 0 | 0 | 0 | 115.3 | S640 | L638-S640 PolarHBondContact O-N 2.82Å; L638-S640 VanDerWaalsContact O-N 3.12Å | ||
| 639 | R | 45 | Very low | 51.8 | Low | 162 Ų | 162 | 107 Ų | 107 | 61% | 0.611 | 60% | 0.597 | S | S | * | * | trans | -56.5 | 114.9 | 139.4 | -174.1 | 174.8 | -176.8 | -179.9 | -0.6 | 105.7 | T641 V643 | R639-T641 PolarHBondContact O-N 3.41Å; R639-V643 HydrophobicContact CG-CB 4.3Å; R639-V643 HydrophobicContact CG-CG1 4.3Å | ||
| 640 | S | 54.8 | Low | 54.3 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | trans | -46.1 | 132.1 | -175 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | L638 S642 V643 A644 | L638-S640 PolarHBondContact O-N 2.82Å; L638-S640 VanDerWaalsContact O-N 3.12Å; S640-S642 PolarHBondContact O-N 3.1Å; S640-S642 PolarHBondContact OG-N 3.41Å; S640-S642 PolarHBondContact OG-OG 3.08Å; S640-V643 PolarHBondContact O-N 3.48Å; S640-A644 PolarHBondContact O-N 3.04Å | ||
| 641 | T | 61.3 | Low | 56.8 | Low | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -49 | -31.1 | 177 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | T482 R639 Q645 | T482-T641 HydrophobicContact CG2-CG2 4.4Å; R639-T641 PolarHBondContact O-N 3.41Å; T641-Q645 WeakPolarHBondContact O-CB 3.48Å; T641-Q645 PolarHBondContact O-N 2.65Å |
| 642 | S | 67.4 | Low | 59.4 | Low | 64 Ų | 64 | 88 Ų | 88 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.6 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | S640 Q645 T646 | S640-S642 PolarHBondContact O-N 3.1Å; S640-S642 PolarHBondContact OG-N 3.41Å; S640-S642 PolarHBondContact OG-OG 3.08Å; S642-Q645 PolarHBondContact O-N 3.34Å; S642-T646 PolarHBondContact O-N 2.94Å; S642-T646 PolarHBondContact O-OG1 2.94Å |
| 643 | V | 69.3 | Low | 62 | Low | 66 Ų | 66 | 82.3 Ų | 82.3 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | R639 S640 T646 Q647 | R639-V643 HydrophobicContact CG-CB 4.3Å; R639-V643 HydrophobicContact CG-CG1 4.3Å; S640-V643 PolarHBondContact O-N 3.48Å; V643-T646 PolarHBondContact O-N 3.31Å; V643-Q647 WeakPolarHBondContact O-CB 3.49Å; V643-Q647 PolarHBondContact O-N 3.12Å |
| 644 | A | 73.5 | Confident | 64.4 | Low | 30 Ų | 30 | 81.5 Ų | 81.5 | 25% | 0.248 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S640 Q647 L648 | S640-A644 PolarHBondContact O-N 3.04Å; A644-Q647 PolarHBondContact O-N 2.94Å; A644-L648 WeakPolarHBondContact O-CB 3.39Å; A644-L648 PolarHBondContact O-N 3.28Å |
| 645 | Q | 77 | Confident | 67.1 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.5 | -175.1 | 175.6 | 4.5 | 0 | 0 | 111.8 | T641 S642 Q647 L648 T649 | T641-Q645 WeakPolarHBondContact O-CB 3.48Å; T641-Q645 PolarHBondContact O-N 2.65Å; S642-Q645 PolarHBondContact O-N 3.34Å; Q645-Q647 VanDerWaalsContact C-N 3.33Å; Q645-Q647 PolarHBondContact O-N 2.96Å; Q645-L648 PolarHBondContact O-N 3.21Å; Q645-T649 WeakPolarHBondContact O-CG2 3.44Å; Q645-T649 PolarHBondContact O-N 2.81Å; Q645-T649 PolarHBondContact O-OG1 2.98Å |
| 646 | T | 75.2 | Confident | 69.7 | Low | 92 Ų | 92 | 74.3 Ų | 74.3 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | S642 V643 T649 A650 | S642-T646 PolarHBondContact O-N 2.94Å; S642-T646 PolarHBondContact O-OG1 2.94Å; V643-T646 PolarHBondContact O-N 3.31Å; T646-T649 VanDerWaalsContact CA-OG1 3.31Å; T646-T649 WeakPolarHBondContact CA-OG1 3.38Å; T646-T649 PolarHBondContact O-N 3.45Å; T646-T649 PolarHBondContact O-OG1 2.75Å; T646-A650 PolarHBondContact O-N 2.95Å |
| 647 | Q | 80.6 | Confident | 72 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.8 | -176 | 62.5 | 43.1 | 0 | 0 | 111.7 | V643 A644 Q645 T649 A650 D651 | V643-Q647 WeakPolarHBondContact O-CB 3.49Å; V643-Q647 PolarHBondContact O-N 3.12Å; A644-Q647 PolarHBondContact O-N 2.94Å; Q645-Q647 VanDerWaalsContact C-N 3.33Å; Q645-Q647 PolarHBondContact O-N 2.96Å; Q647-T649 VanDerWaalsContact C-N 3.31Å; Q647-T649 PolarHBondContact O-N 2.95Å; Q647-A650 WeakPolarHBondContact O-CB 3.45Å; Q647-A650 PolarHBondContact O-N 3.23Å; Q647-A650 VanDerWaalsContact O-N 3.11Å; Q647-D651 PolarHBondContact NE2-OD1 3.19Å; Q647-D651 PolarHBondContact NE2-OD2 3.36Å; Q647-D651 PolarHBondContact O-N 3.28Å |
| 648 | L | 84.5 | Confident | 74 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 178.5 | -177.5 | 61.8 | 0 | 0 | 0 | 111.8 | L471 L474 L475 Y478 A644 Q645 A650 D651 V652 | L471-L648 HydrophobicContact CD2-CD1 4.07Å; L474-L648 HydrophobicContact CB-CD2 4.31Å; L475-L648 HydrophobicContact CB-CD2 4.04Å; L475-L648 HydrophobicContact CB-CG 4.23Å; L475-L648 HydrophobicContact CD1-CD2 4.02Å; L475-L648 HydrophobicContact CD1-CG 4.09Å; Y478-L648 HydrophobicContact CD2-CD2 3.72Å; Y478-L648 HydrophobicContact CE2-CD2 4.29Å; Y478-L648 HydrophobicContact CG-CD2 4.26Å; A644-L648 WeakPolarHBondContact O-CB 3.39Å; A644-L648 PolarHBondContact O-N 3.28Å; Q645-L648 PolarHBondContact O-N 3.21Å; L648-A650 VanDerWaalsContact C-N 3.35Å; L648-D651 PolarHBondContact O-N 2.67Å; L648-V652 WeakPolarHBondContact O-CG2 3.35Å; L648-V652 PolarHBondContact O-N 2.73Å |
| 649 | T | 82.4 | Confident | 76.2 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 173.8 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | L475 Q645 T646 Q647 V652 V653 | L475-T649 HydrophobicContact CD1-CG2 3.55Å; L475-T649 HydrophobicContact CD2-CG2 4.1Å; L475-T649 HydrophobicContact CG-CG2 4.49Å; Q645-T649 WeakPolarHBondContact O-CG2 3.44Å; Q645-T649 PolarHBondContact O-N 2.81Å; Q645-T649 PolarHBondContact O-OG1 2.98Å; T646-T649 VanDerWaalsContact CA-OG1 3.31Å; T646-T649 WeakPolarHBondContact CA-OG1 3.38Å; T646-T649 PolarHBondContact O-N 3.45Å; T646-T649 PolarHBondContact O-OG1 2.75Å; Q647-T649 VanDerWaalsContact C-N 3.31Å; Q647-T649 PolarHBondContact O-N 2.95Å; T649-V652 PolarHBondContact O-N 2.64Å; T649-V653 VanDerWaalsContact O-CG2 3.31Å; T649-V653 WeakPolarHBondContact O-CG2 3.37Å; T649-V653 PolarHBondContact O-N 3.29Å |
| 650 | A | 80.3 | Confident | 77.9 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T646 Q647 L648 V653 R654 | T646-A650 PolarHBondContact O-N 2.95Å; Q647-A650 WeakPolarHBondContact O-CB 3.45Å; Q647-A650 PolarHBondContact O-N 3.23Å; Q647-A650 VanDerWaalsContact O-N 3.11Å; L648-A650 VanDerWaalsContact C-N 3.35Å; A650-V653 PolarHBondContact O-N 3.16Å; A650-R654 WeakPolarHBondContact O-CB 3.49Å; A650-R654 PolarHBondContact O-N 2.73Å |
| 651 | D | 84.9 | Confident | 79.1 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 176.3 | -71.7 | -33.1 | 0 | 0 | 0 | 112.3 | Q647 L648 R654 Q655 | Q647-D651 PolarHBondContact NE2-OD1 3.19Å; Q647-D651 PolarHBondContact NE2-OD2 3.36Å; Q647-D651 PolarHBondContact O-N 3.28Å; L648-D651 PolarHBondContact O-N 2.67Å; D651-R654 PolarHBondContact O-N 2.76Å; D651-R654 IonicContact OD1-CZ 2.68Å; D651-R654 IonicContact OD1-NE 2.73Å; D651-R654 IonicContact OD1-NH2 2.61Å; D651-R654 PolarHBondContact OD1-NH2 2.83Å; D651-Q655 WeakPolarHBondContact O-CB 3.42Å; D651-Q655 PolarHBondContact O-N 3.32Å |
| 652 | V | 85.3 | Confident | 80 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | L468 L471 E472 L475 L648 T649 R654 Q655 R656 | L468-V652 HydrophobicContact CD1-CG1 4.3Å; L471-V652 HydrophobicContact CB-CG2 3.8Å; E472-V652 HydrophobicContact CG-CG1 3.96Å; L475-V652 HydrophobicContact CB-CG2 4.26Å; L475-V652 HydrophobicContact CD2-CB 4.41Å; L475-V652 HydrophobicContact CD2-CG1 4.47Å; L475-V652 HydrophobicContact CD2-CG2 4.06Å; L648-V652 WeakPolarHBondContact O-CG2 3.35Å; L648-V652 PolarHBondContact O-N 2.73Å; T649-V652 PolarHBondContact O-N 2.64Å; V652-R654 VanDerWaalsContact C-N 3.33Å; V652-R654 PolarHBondContact O-N 3.47Å; V652-Q655 PolarHBondContact O-N 2.76Å; V652-R656 HydrophobicContact CG1-CG 4.39Å; V652-R656 WeakPolarHBondContact O-CB 3.4Å; V652-R656 VanDerWaalsContact O-CG 3.31Å; V652-R656 WeakPolarHBondContact O-CG 3.44Å; V652-R656 PolarHBondContact O-N 2.78Å |
| 653 | V | 82.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 48 Ų | 48 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.2 | 169.8 | 0 | 0 | 0 | 0 | 111 | T649 A650 R656 A657 | T649-V653 VanDerWaalsContact O-CG2 3.31Å; T649-V653 WeakPolarHBondContact O-CG2 3.37Å; T649-V653 PolarHBondContact O-N 3.29Å; A650-V653 PolarHBondContact O-N 3.16Å; V653-R656 PolarHBondContact O-N 2.65Å; V653-A657 PolarHBondContact O-N 2.88Å |
| 654 | R | 81.1 | Confident | 81.5 | Confident | 118 Ų | 118 | 49 Ų | 49 | 45% | 0.445 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.5 | 174.3 | 174.3 | 62 | 145.9 | -1.7 | 112.2 | A608 A650 D651 V652 A657 C658 | A608-R654 HydrophobicContact CB-CB 4Å; A608-R654 HydrophobicContact CB-CG 3.67Å; A650-R654 WeakPolarHBondContact O-CB 3.49Å; A650-R654 PolarHBondContact O-N 2.73Å; D651-R654 PolarHBondContact O-N 2.76Å; D651-R654 IonicContact OD1-CZ 2.68Å; D651-R654 IonicContact OD1-NE 2.73Å; D651-R654 IonicContact OD1-NH2 2.61Å; D651-R654 PolarHBondContact OD1-NH2 2.83Å; V652-R654 VanDerWaalsContact C-N 3.33Å; V652-R654 PolarHBondContact O-N 3.47Å; R654-A657 PolarHBondContact O-N 3.46Å; R654-C658 PolarHBondContact O-N 2.91Å |
| 655 | Q | 86 | Confident | 81.9 | Confident | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 178.4 | -169.7 | 66.6 | 23.8 | 0 | 0 | 111.8 | E464 L468 L471 D651 V652 C658 V659 | E464-Q655 PolarHBondContact O-NE2 3.48Å; E464-Q655 PolarHBondContact OE2-NE2 3.15Å; L468-Q655 HydrophobicContact CB-CG 3.74Å; L468-Q655 HydrophobicContact CD1-CB 4.03Å; L468-Q655 HydrophobicContact CD1-CG 4.01Å; L468-Q655 HydrophobicContact CG-CG 4.44Å; L471-Q655 HydrophobicContact CD1-CB 3.92Å; L471-Q655 HydrophobicContact CD1-CG 4.09Å; D651-Q655 WeakPolarHBondContact O-CB 3.42Å; D651-Q655 PolarHBondContact O-N 3.32Å; V652-Q655 PolarHBondContact O-N 2.76Å; Q655-C658 WeakPolarHBondContact O-CB 3.37Å; Q655-C658 PolarHBondContact O-N 3.14Å; Q655-V659 WeakPolarHBondContact O-CG2 3.36Å; Q655-V659 PolarHBondContact O-N 3.45Å |
| 656 | R | 84.8 | Confident | 82.3 | Confident | 130 Ų | 130 | 46.5 Ų | 46.5 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 173.4 | -76.1 | 179.8 | 176.5 | -178.4 | -4.8 | 112.1 | L468 E472 V652 V653 C658 V659 A660 | L468-R656 HydrophobicContact CD1-CB 4.46Å; L468-R656 HydrophobicContact CD1-CG 3.48Å; L468-R656 VanDerWaalsContact CD1-CG 3.48Å; L468-R656 HydrophobicContact CD2-CG 3.83Å; L468-R656 HydrophobicContact CG-CG 4.29Å; E472-R656 IonicContact OE1-CZ 3.53Å; E472-R656 IonicContact OE1-NE 3.63Å; E472-R656 PolarHBondContact OE1-NE 3.37Å; E472-R656 IonicContact OE1-NH2 3.19Å; E472-R656 PolarHBondContact OE1-NH2 2.91Å; E472-R656 IonicContact OE2-NH2 3.63Å; V652-R656 HydrophobicContact CG1-CG 4.39Å; V652-R656 WeakPolarHBondContact O-CB 3.4Å; V652-R656 VanDerWaalsContact O-CG 3.31Å; V652-R656 WeakPolarHBondContact O-CG 3.44Å; V652-R656 PolarHBondContact O-N 2.78Å; V653-R656 PolarHBondContact O-N 2.65Å; R656-C658 VanDerWaalsContact C-N 3.28Å; R656-C658 PolarHBondContact O-N 3.22Å; R656-V659 PolarHBondContact O-N 3.43Å; R656-A660 WeakPolarHBondContact O-CB 3.24Å; R656-A660 PolarHBondContact O-N 3.22Å |
| 657 | A | 78.2 | Confident | 82.9 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A608 V653 R654 Y661 | A608-A657 HydrophobicContact CB-CB 3.81Å; V653-A657 PolarHBondContact O-N 2.88Å; R654-A657 PolarHBondContact O-N 3.46Å; A657-Y661 WeakPolarHBondContact O-CB 3.44Å; A657-Y661 PolarHBondContact O-N 2.66Å |
| 658 | C | 81.5 | Confident | 83.2 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -52.8 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | A604 R654 Q655 R656 A660 Y661 L662 | A604-C658 HydrophobicContact CB-CB 4.28Å; R654-C658 PolarHBondContact O-N 2.91Å; Q655-C658 WeakPolarHBondContact O-CB 3.37Å; Q655-C658 PolarHBondContact O-N 3.14Å; R656-C658 VanDerWaalsContact C-N 3.28Å; R656-C658 PolarHBondContact O-N 3.22Å; C658-A660 PolarHBondContact O-N 3.32Å; C658-Y661 WeakPolarHBondContact O-CB 3.37Å; C658-Y661 PolarHBondContact O-N 3.34Å; C658-L662 WeakPolarHBondContact O-CG 3.24Å; C658-L662 PolarHBondContact O-N 3.18Å |
| 659 | V | 84.2 | Confident | 83.3 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.085 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | E464 T465 L468 Q655 R656 Y661 L662 L663 | E464-V659 HydrophobicContact CB-CG2 4.23Å; E464-V659 WeakPolarHBondContact O-CG2 3.23Å; T465-V659 HydrophobicContact CG2-CG1 3.63Å; T465-V659 HydrophobicContact CG2-CG2 4.25Å; L468-V659 HydrophobicContact CB-CG2 4.21Å; L468-V659 HydrophobicContact CD2-CB 4.35Å; L468-V659 HydrophobicContact CD2-CG2 4.07Å; Q655-V659 WeakPolarHBondContact O-CG2 3.36Å; Q655-V659 PolarHBondContact O-N 3.45Å; R656-V659 PolarHBondContact O-N 3.43Å; V659-Y661 VanDerWaalsContact C-N 3.32Å; V659-Y661 PolarHBondContact O-N 3.1Å; V659-L662 PolarHBondContact O-N 2.97Å; V659-L663 HydrophobicContact CG1-CD1 4.11Å; V659-L663 HydrophobicContact CG1-CG 4.46Å; V659-L663 WeakPolarHBondContact O-CG 3.38Å; V659-L663 PolarHBondContact O-N 2.81Å |
| 660 | A | 81 | Confident | 83.7 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R656 C658 L663 E664 | R656-A660 WeakPolarHBondContact O-CB 3.24Å; R656-A660 PolarHBondContact O-N 3.22Å; C658-A660 PolarHBondContact O-N 3.32Å; A660-L663 PolarHBondContact O-N 3.23Å; A660-E664 WeakPolarHBondContact O-CG 3.05Å; A660-E664 PolarHBondContact O-N 3.42Å |
| 661 | Y | 80.2 | Confident | 84.2 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175 | 171 | -87.3 | 0 | 0 | 0 | 112.1 | I408 A600 A604 A657 C658 V659 L663 E664 T665 | I408-Y661 HydrophobicContact CD1-CE2 4.22Å; I408-Y661 HydrophobicContact CG2-CD2 3.58Å; I408-Y661 HydrophobicContact CG2-CE2 3.38Å; A600-Y661 HydrophobicContact CB-CE1 3.95Å; A600-Y661 WeakPolarHBondContact O-CE1 3.36Å; A604-Y661 HydrophobicContact CB-CD1 3.41Å; A604-Y661 VanDerWaalsContact CB-CD1 3.41Å; A604-Y661 HydrophobicContact CB-CD2 4.48Å; A604-Y661 HydrophobicContact CB-CE1 4.1Å; A604-Y661 HydrophobicContact CB-CG 3.65Å; A657-Y661 WeakPolarHBondContact O-CB 3.44Å; A657-Y661 PolarHBondContact O-N 2.66Å; C658-Y661 WeakPolarHBondContact O-CB 3.37Å; C658-Y661 PolarHBondContact O-N 3.34Å; V659-Y661 VanDerWaalsContact C-N 3.32Å; V659-Y661 PolarHBondContact O-N 3.1Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 3.42Å; Y661-E664 PolarHBondContact O-N 3.44Å; Y661-T665 WeakPolarHBondContact CE1-OG1 3.44Å; Y661-T665 WeakPolarHBondContact O-CB 3.43Å; Y661-T665 PolarHBondContact O-N 3.29Å; Y661-T665 PolarHBondContact O-OG1 2.88Å |
| 662 | L | 81.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 179.1 | -66.9 | 171 | 0 | 0 | 0 | 111.9 | L457 V460 V461 E464 C658 V659 T665 S666 | L457-L662 HydrophobicContact CD1-CD2 3.97Å; V460-L662 HydrophobicContact CG1-CD1 4.2Å; V461-L662 HydrophobicContact CG2-CB 3.74Å; E464-L662 HydrophobicContact CB-CD1 3.95Å; E464-L662 HydrophobicContact CG-CD1 3.9Å; C658-L662 WeakPolarHBondContact O-CG 3.24Å; C658-L662 PolarHBondContact O-N 3.18Å; V659-L662 PolarHBondContact O-N 2.97Å; L662-T665 WeakPolarHBondContact O-CB 3.38Å; L662-T665 PolarHBondContact O-N 2.99Å; L662-S666 PolarHBondContact O-N 3.3Å |
| 663 | L | 84.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.7 | -70.6 | 173.7 | 0 | 0 | 0 | 112.4 | V461 V659 A660 Y661 T665 S666 S667 | V461-L663 HydrophobicContact CG1-CD2 3.8Å; V659-L663 HydrophobicContact CG1-CD1 4.11Å; V659-L663 HydrophobicContact CG1-CG 4.46Å; V659-L663 WeakPolarHBondContact O-CG 3.38Å; V659-L663 PolarHBondContact O-N 2.81Å; A660-L663 PolarHBondContact O-N 3.23Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 3.42Å; L663-T665 VanDerWaalsContact C-N 3.27Å; L663-T665 PolarHBondContact O-N 3.49Å; L663-S666 WeakPolarHBondContact O-CB 3.02Å; L663-S666 PolarHBondContact O-N 3.07Å; L663-S667 PolarHBondContact O-N 3Å |
| 664 | E | 82.3 | Confident | 85.4 | Confident | 86 Ų | 86 | 42.8 Ų | 42.8 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 174.1 | -72.8 | -70.3 | 161.8 | 0 | 0 | 111.6 | S412 A660 Y661 S666 S667 F668 | S412-E664 WeakPolarHBondContact CB-OE2 3.31Å; A660-E664 WeakPolarHBondContact O-CG 3.05Å; A660-E664 PolarHBondContact O-N 3.42Å; Y661-E664 PolarHBondContact O-N 3.44Å; E664-S666 VanDerWaalsContact C-N 3.35Å; E664-S667 WeakPolarHBondContact O-CB 3.23Å; E664-S667 PolarHBondContact O-N 2.84Å; E664-F668 PolarHBondContact O-N 3.07Å |
| 665 | T | 83.1 | Confident | 86 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 174.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | A449 L457 Y661 L662 L663 F668 I669 | A449-T665 HydrophobicContact CB-CG2 3.21Å; L457-T665 HydrophobicContact CD2-CG2 3.87Å; Y661-T665 WeakPolarHBondContact CE1-OG1 3.44Å; Y661-T665 WeakPolarHBondContact O-CB 3.43Å; Y661-T665 PolarHBondContact O-N 3.29Å; Y661-T665 PolarHBondContact O-OG1 2.88Å; L662-T665 WeakPolarHBondContact O-CB 3.38Å; L662-T665 PolarHBondContact O-N 2.99Å; L663-T665 VanDerWaalsContact C-N 3.27Å; L663-T665 PolarHBondContact O-N 3.49Å; T665-F668 WeakPolarHBondContact O-CB 3.15Å; T665-F668 PolarHBondContact O-N 3.49Å; T665-I669 HydrophobicContact CG2-CD1 4.39Å; T665-I669 WeakPolarHBondContact O-CG1 3.46Å; T665-I669 PolarHBondContact O-N 3.3Å |
| 666 | S | 84.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | L662 L663 E664 F668 I669 S670 | L662-S666 PolarHBondContact O-N 3.3Å; L663-S666 WeakPolarHBondContact O-CB 3.02Å; L663-S666 PolarHBondContact O-N 3.07Å; E664-S666 VanDerWaalsContact C-N 3.35Å; S666-F668 VanDerWaalsContact C-N 3.33Å; S666-F668 PolarHBondContact O-N 3.43Å; S666-I669 PolarHBondContact O-N 3.19Å; S666-S670 PolarHBondContact O-N 3.24Å |
| 667 | S | 87.1 | Confident | 86.9 | Confident | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.6 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | S412 L663 E664 S670 H671 | S412-S667 WeakPolarHBondContact OG-CB 3.04Å; S412-S667 PolarHBondContact OG-OG 3.19Å; S412-S667 VanDerWaalsContact OG-OG 3.13Å; L663-S667 PolarHBondContact O-N 3Å; E664-S667 WeakPolarHBondContact O-CB 3.23Å; E664-S667 PolarHBondContact O-N 2.84Å; S667-S670 WeakPolarHBondContact O-CB 3.08Å; S667-S670 PolarHBondContact O-N 3.04Å; S667-H671 PolarHBondContact O-CD2 3.33Å; S667-H671 PolarHBondContact O-N 3.38Å; S667-H671 VanDerWaalsContact O-N 3.1Å |
| 668 | F | 88.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 177.3 | 177.9 | -106.3 | 0 | 0 | 0 | 112.4 | Q411 A415 M443 C447 A450 E664 T665 S666 S670 H671 I672 | Q411-F668 HydrophobicContact CB-CD2 4.43Å; A415-F668 HydrophobicContact CB-CD2 3.67Å; A415-F668 HydrophobicContact CB-CE2 3.77Å; M443-F668 HydrophobicContact CE-CE2 3.78Å; C447-F668 HydrophobicContact CB-CD1 4.37Å; C447-F668 HydrophobicContact CB-CE1 3.5Å; C447-F668 HydrophobicContact CB-CZ 3.92Å; A450-F668 HydrophobicContact CB-CE1 4.32Å; E664-F668 PolarHBondContact O-N 3.07Å; T665-F668 WeakPolarHBondContact O-CB 3.15Å; T665-F668 PolarHBondContact O-N 3.49Å; S666-F668 VanDerWaalsContact C-N 3.33Å; S666-F668 PolarHBondContact O-N 3.43Å; F668-S670 VanDerWaalsContact C-N 3.29Å; F668-S670 PolarHBondContact O-N 3.46Å; F668-H671 WeakPolarHBondContact O-CA 3.39Å; F668-H671 WeakPolarHBondContact O-CB 3.44Å; F668-H671 PolarHBondContact O-N 3.44Å; F668-I672 HydrophobicContact CD1-CG1 4.27Å; F668-I672 HydrophobicContact CE1-CD1 4.14Å; F668-I672 HydrophobicContact CE1-CG1 3.85Å; F668-I672 HydrophobicContact CE2-CD1 4.01Å; F668-I672 HydrophobicContact CE2-CG1 4.36Å; F668-I672 HydrophobicContact CZ-CD1 3.67Å; F668-I672 HydrophobicContact CZ-CG1 3.91Å; F668-I672 WeakPolarHBondContact O-CG1 3.23Å; F668-I672 PolarHBondContact O-N 3.22Å |
| 669 | I | 86.8 | Confident | 88.5 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 176.6 | -67.6 | 173.7 | 0 | 0 | 0 | 111.2 | A449 L452 L457 T665 S666 H671 I672 Q673 | A449-I669 VanDerWaalsContact O-CD1 3.28Å; A449-I669 WeakPolarHBondContact O-CD1 3.19Å; L452-I669 HydrophobicContact CB-CD1 4.04Å; L457-I669 HydrophobicContact CD2-CD1 3.54Å; T665-I669 HydrophobicContact CG2-CD1 4.39Å; T665-I669 WeakPolarHBondContact O-CG1 3.46Å; T665-I669 PolarHBondContact O-N 3.3Å; S666-I669 PolarHBondContact O-N 3.19Å; I669-H671 VanDerWaalsContact C-N 3.28Å; I669-H671 PolarHBondContact O-N 3Å; I669-I672 WeakPolarHBondContact O-CB 3.49Å; I669-I672 PolarHBondContact O-N 3.22Å; I669-I672 VanDerWaalsContact O-N 3.08Å; I669-Q673 PolarHBondContact O-N 3.31Å |
| 670 | S | 89.8 | Confident | 89 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 42% | 0.42 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -37.3 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | S666 S667 F668 Q673 T674 | S666-S670 PolarHBondContact O-N 3.24Å; S667-S670 WeakPolarHBondContact O-CB 3.08Å; S667-S670 PolarHBondContact O-N 3.04Å; F668-S670 VanDerWaalsContact C-N 3.29Å; F668-S670 PolarHBondContact O-N 3.46Å; S670-Q673 PolarHBondContact O-N 3.41Å; S670-T674 PolarHBondContact O-N 3.28Å; S670-T674 VanDerWaalsContact O-N 3.13Å; S670-T674 PolarHBondContact O-OG1 3.16Å; S670-T674 VanDerWaalsContact O-OG1 3.05Å |
| 671 | H | 91.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 171.9 | -66.5 | -53.1 | 0 | 0 | 0 | 112.5 | A415 A416 V419 S667 F668 I669 Q673 T674 A675 | A415-H671 HydrophobicContact CB-CB 3.83Å; A416-H671 WeakPolarHBondContact CB-NE2 3.43Å; V419-H671 HydrophobicContact CG2-CB 3.88Å; S667-H671 PolarHBondContact O-CD2 3.33Å; S667-H671 PolarHBondContact O-N 3.38Å; S667-H671 VanDerWaalsContact O-N 3.1Å; F668-H671 WeakPolarHBondContact O-CA 3.39Å; F668-H671 WeakPolarHBondContact O-CB 3.44Å; F668-H671 PolarHBondContact O-N 3.44Å; I669-H671 VanDerWaalsContact C-N 3.28Å; I669-H671 PolarHBondContact O-N 3Å; H671-Q673 VanDerWaalsContact C-N 3.34Å; H671-Q673 PolarHBondContact O-N 2.83Å; H671-T674 WeakPolarHBondContact O-CB 3.34Å; H671-T674 PolarHBondContact O-N 2.64Å; H671-A675 WeakPolarHBondContact O-CB 3.47Å; H671-A675 PolarHBondContact O-N 3.14Å |
| 672 | I | 91.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.7 | -61.8 | -51.8 | 0 | 0 | 0 | 111.6 | L440 I444 F668 I669 T674 A675 I676 I706 | L440-I672 HydrophobicContact CD1-CD1 4.02Å; I444-I672 HydrophobicContact CD1-CD1 4.14Å; I444-I672 HydrophobicContact CG1-CD1 3.82Å; F668-I672 HydrophobicContact CD1-CG1 4.27Å; F668-I672 HydrophobicContact CE1-CD1 4.14Å; F668-I672 HydrophobicContact CE1-CG1 3.85Å; F668-I672 HydrophobicContact CE2-CD1 4.01Å; F668-I672 HydrophobicContact CE2-CG1 4.36Å; F668-I672 HydrophobicContact CZ-CD1 3.67Å; F668-I672 HydrophobicContact CZ-CG1 3.91Å; F668-I672 WeakPolarHBondContact O-CG1 3.23Å; F668-I672 PolarHBondContact O-N 3.22Å; I669-I672 WeakPolarHBondContact O-CB 3.49Å; I669-I672 PolarHBondContact O-N 3.22Å; I669-I672 VanDerWaalsContact O-N 3.08Å; I672-T674 VanDerWaalsContact C-N 3.28Å; I672-T674 PolarHBondContact O-N 3.03Å; I672-A675 VanDerWaalsContact O-CB 3.27Å; I672-A675 WeakPolarHBondContact O-CB 3.3Å; I672-A675 PolarHBondContact O-N 2.96Å; I672-A675 VanDerWaalsContact O-N 3.16Å; I672-I676 HydrophobicContact CG2-CD1 4.44Å; I672-I676 WeakPolarHBondContact O-CG1 3.24Å; I672-I676 PolarHBondContact O-N 2.92Å; I672-I706 HydrophobicContact CG2-CD1 4.24Å |
| 673 | Q | 91.6 | Very high | 91 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -37 | 174 | -71.5 | 177.8 | -31.4 | 0 | 0 | 112.4 | T454 I669 S670 H671 | T454-Q673 PolarHBondContact OG1-NE2 3.41Å; T454-Q673 PolarHBondContact OG1-OE1 3.34Å; I669-Q673 PolarHBondContact O-N 3.31Å; S670-Q673 PolarHBondContact O-N 3.41Å; H671-Q673 VanDerWaalsContact C-N 3.34Å; H671-Q673 PolarHBondContact O-N 2.83Å |
| 674 | T | 93.7 | Very high | 91.3 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 172.9 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | V419 S670 H671 I672 I676 K677 D678 | V419-T674 HydrophobicContact CB-CG2 4.2Å; V419-T674 HydrophobicContact CG2-CG2 4.13Å; S670-T674 PolarHBondContact O-N 3.28Å; S670-T674 VanDerWaalsContact O-N 3.13Å; S670-T674 PolarHBondContact O-OG1 3.16Å; S670-T674 VanDerWaalsContact O-OG1 3.05Å; H671-T674 WeakPolarHBondContact O-CB 3.34Å; H671-T674 PolarHBondContact O-N 2.64Å; I672-T674 VanDerWaalsContact C-N 3.28Å; I672-T674 PolarHBondContact O-N 3.03Å; T674-I676 VanDerWaalsContact C-N 3.31Å; T674-I676 PolarHBondContact O-N 3.44Å; T674-K677 WeakPolarHBondContact O-CB 3.29Å; T674-K677 PolarHBondContact O-N 2.76Å; T674-K677 VanDerWaalsContact O-N 3.09Å; T674-D678 PolarHBondContact O-N 3.46Å |
| 675 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.6 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V419 L440 H671 I672 K677 D678 F679 | V419-A675 HydrophobicContact CG1-CB 3.73Å; L440-A675 HydrophobicContact CD2-CB 3.43Å; L440-A675 VanDerWaalsContact CD2-CB 3.43Å; L440-A675 HydrophobicContact CG-CB 4.4Å; H671-A675 WeakPolarHBondContact O-CB 3.47Å; H671-A675 PolarHBondContact O-N 3.14Å; I672-A675 VanDerWaalsContact O-CB 3.27Å; I672-A675 WeakPolarHBondContact O-CB 3.3Å; I672-A675 PolarHBondContact O-N 2.96Å; I672-A675 VanDerWaalsContact O-N 3.16Å; A675-K677 VanDerWaalsContact C-N 3.27Å; A675-K677 PolarHBondContact O-N 3.3Å; A675-D678 PolarHBondContact O-N 3.09Å; A675-F679 HydrophobicContact CB-CD2 4.48Å; A675-F679 WeakPolarHBondContact O-CB 3.28Å; A675-F679 WeakPolarHBondContact O-CD2 3.48Å; A675-F679 PolarHBondContact O-N 3.32Å |
| 676 | I | 95 | Very high | 92 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 178.5 | -68.8 | 166.9 | 0 | 0 | 0 | 110 | I672 T674 F679 Q680 F697 F698 I706 G708 L709 | I672-I676 HydrophobicContact CG2-CD1 4.44Å; I672-I676 WeakPolarHBondContact O-CG1 3.24Å; I672-I676 PolarHBondContact O-N 2.92Å; T674-I676 VanDerWaalsContact C-N 3.31Å; T674-I676 PolarHBondContact O-N 3.44Å; I676-F679 PolarHBondContact O-N 2.94Å; I676-Q680 VanDerWaalsContact O-CG 3.25Å; I676-Q680 WeakPolarHBondContact O-CG 3.38Å; I676-Q680 PolarHBondContact O-N 3.4Å; I676-F697 HydrophobicContact CG1-CE1 4.17Å; I676-F697 HydrophobicContact CG1-CZ 3.99Å; I676-F698 HydrophobicContact CG2-CE1 4.41Å; I676-I706 HydrophobicContact CD1-CG2 3.94Å; I676-G708 WeakPolarHBondContact CG2-O 3.46Å; I676-L709 HydrophobicContact CD1-CD2 3.94Å; I676-L709 HydrophobicContact CG1-CD2 3.96Å; I676-L709 HydrophobicContact CG2-CD2 4.34Å |
| 677 | K | 94.7 | Very high | 92.4 | Very high | 148 Ų | 148 | 44.4 Ų | 44.4 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.1 | -41.6 | 176.6 | -63.4 | -176.5 | 179.4 | -173.8 | 0 | 112.1 | T674 A675 F679 Q680 S681 | T674-K677 WeakPolarHBondContact O-CB 3.29Å; T674-K677 PolarHBondContact O-N 2.76Å; T674-K677 VanDerWaalsContact O-N 3.09Å; A675-K677 VanDerWaalsContact C-N 3.27Å; A675-K677 PolarHBondContact O-N 3.3Å; K677-F679 VanDerWaalsContact C-N 3.34Å; K677-F679 PolarHBondContact O-N 3.41Å; K677-Q680 WeakPolarHBondContact O-CB 3.18Å; K677-Q680 PolarHBondContact O-N 3.27Å; K677-S681 PolarHBondContact O-N 3.05Å |
| 678 | D | 95.9 | Very high | 92.7 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 176.1 | -65.3 | -23.5 | 0 | 0 | 0 | 110.7 | V419 G420 M425 M426 T674 A675 S681 M682 | V419-D678 WeakPolarHBondContact CA-OD2 3.43Å; V419-D678 WeakPolarHBondContact CB-OD2 3.29Å; G420-D678 PolarHBondContact N-OD2 2.94Å; M425-D678 HydrophobicContact CE-CB 3.72Å; M426-D678 HydrophobicContact CE-CB 3.67Å; T674-D678 PolarHBondContact O-N 3.46Å; A675-D678 PolarHBondContact O-N 3.09Å; D678-S681 PolarHBondContact O-N 3.42Å; D678-M682 VanDerWaalsContact O-CG 3.31Å; D678-M682 WeakPolarHBondContact O-CG 3.18Å; D678-M682 PolarHBondContact O-N 3.07Å |
| 679 | F | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 176.5 | -81 | -65.2 | 0 | 0 | 0 | 113.3 | M425 C437 L440 A675 I676 K677 M682 L683 A694 F697 F698 | M425-F679 HydrophobicContact CE-CD1 3.87Å; M425-F679 HydrophobicContact CE-CD2 3.57Å; M425-F679 HydrophobicContact CE-CE1 3.8Å; M425-F679 HydrophobicContact CE-CE2 3.44Å; M425-F679 VanDerWaalsContact CE-CE2 3.44Å; M425-F679 HydrophobicContact CE-CG 3.8Å; M425-F679 HydrophobicContact CE-CZ 3.59Å; M425-F679 HydrophobicContact SD-CE2 4.18Å; M425-F679 HydrophobicContact SD-CZ 4.4Å; C437-F679 HydrophobicContact CB-CE1 3.7Å; C437-F679 HydrophobicContact CB-CZ 3.79Å; C437-F679 VanDerWaalsContact SG-CE1 3.6Å; L440-F679 HydrophobicContact CD2-CE2 4.05Å; A675-F679 HydrophobicContact CB-CD2 4.48Å; A675-F679 WeakPolarHBondContact O-CB 3.28Å; A675-F679 WeakPolarHBondContact O-CD2 3.48Å; A675-F679 PolarHBondContact O-N 3.32Å; I676-F679 PolarHBondContact O-N 2.94Å; K677-F679 VanDerWaalsContact C-N 3.34Å; K677-F679 PolarHBondContact O-N 3.41Å; F679-M682 HydrophobicContact CD1-SD 4.17Å; F679-M682 HydrophobicContact CE1-SD 4.45Å; F679-M682 PolarHBondContact O-N 3.26Å; F679-L683 PolarHBondContact O-N 2.96Å; F679-L683 VanDerWaalsContact O-N 3.16Å; F679-A694 HydrophobicContact CB-CB 4.47Å; F679-A694 HydrophobicContact CD1-CB 3.79Å; F679-F697 HydrophobicContact CB-CD1 3.76Å; F679-F697 HydrophobicContact CB-CE1 4.04Å; F679-F697 HydrophobicContact CB-CG 4.4Å; F679-F697 HydrophobicContact CD1-CB 3.92Å; F679-F697 HydrophobicContact CD1-CD1 4.28Å; F679-F697 HydrophobicContact CD1-CG 4.09Å; F679-F697 HydrophobicContact CD2-CB 4.03Å; F679-F697 AromaticContact CD2-CD1 3.35Å; F679-F697 HydrophobicContact CD2-CD1 3.35Å; F679-F697 AromaticContact CD2-CD2 3.41Å; F679-F697 HydrophobicContact CD2-CD2 3.41Å; F679-F697 VanDerWaalsContact CD2-CD2 3.41Å; F679-F697 AromaticContact CD2-CE1 3.51Å; F679-F697 HydrophobicContact CD2-CE1 3.51Å; F679-F697 AromaticContact CD2-CE2 3.5Å; F679-F697 HydrophobicContact CD2-CE2 3.5Å; F679-F697 VanDerWaalsContact CD2-CE2 3.5Å; F679-F697 AromaticContact CD2-CG 3.31Å; F679-F697 HydrophobicContact CD2-CG 3.31Å; F679-F697 AromaticContact CD2-CZ 3.58Å; F679-F697 HydrophobicContact CD2-CZ 3.58Å; F679-F697 HydrophobicContact CE1-CB 3.72Å; F679-F697 HydrophobicContact CE1-CD2 4.46Å; F679-F697 HydrophobicContact CE1-CG 4.09Å; F679-F697 HydrophobicContact CE2-CB 3.88Å; F679-F697 AromaticContact CE2-CD1 3.93Å; F679-F697 HydrophobicContact CE2-CD1 3.93Å; F679-F697 AromaticContact CE2-CD2 3.07Å; F679-F697 HydrophobicContact CE2-CD2 3.07Å; F679-F697 HydrophobicContact CE2-CE1 4.23Å; F679-F697 AromaticContact CE2-CE2 3.37Å; F679-F697 HydrophobicContact CE2-CE2 3.37Å; F679-F697 AromaticContact CE2-CG 3.35Å; F679-F697 HydrophobicContact CE2-CG 3.35Å; F679-F697 AromaticContact CE2-CZ 3.97Å; F679-F697 HydrophobicContact CE2-CZ 3.97Å; F679-F697 HydrophobicContact CG-CB 4.04Å; F679-F697 AromaticContact CG-CD1 3.56Å; F679-F697 HydrophobicContact CG-CD1 3.56Å; F679-F697 HydrophobicContact CG-CD2 4.26Å; F679-F697 HydrophobicContact CG-CE1 4.02Å; F679-F697 AromaticContact CG-CG 3.7Å; F679-F697 HydrophobicContact CG-CG 3.7Å; F679-F697 HydrophobicContact CZ-CB 3.69Å; F679-F697 AromaticContact CZ-CD2 3.65Å; F679-F697 HydrophobicContact CZ-CD2 3.65Å; F679-F697 HydrophobicContact CZ-CE2 4.36Å; F679-F697 AromaticContact CZ-CG 3.73Å; F679-F697 HydrophobicContact CZ-CG 3.73Å; F679-F698 HydrophobicContact CB-CE2 3.91Å; F679-F698 HydrophobicContact CB-CZ 4.08Å |
| 680 | Q | 95.3 | Very high | 93.4 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 170.6 | -76.2 | 167.9 | -5.4 | 0 | 0 | 110.7 | I676 K677 M682 L683 F698 L715 | I676-Q680 VanDerWaalsContact O-CG 3.25Å; I676-Q680 WeakPolarHBondContact O-CG 3.38Å; I676-Q680 PolarHBondContact O-N 3.4Å; K677-Q680 WeakPolarHBondContact O-CB 3.18Å; K677-Q680 PolarHBondContact O-N 3.27Å; Q680-M682 VanDerWaalsContact C-N 3.28Å; Q680-M682 PolarHBondContact O-N 2.89Å; Q680-L683 WeakPolarHBondContact O-CB 3.04Å; Q680-L683 PolarHBondContact O-N 3.48Å; Q680-F698 HydrophobicContact CG-CZ 3.81Å; Q680-L715 WeakPolarHBondContact O-CD2 3.38Å |
| 681 | S | 93.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -36.5 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | K677 D678 L683 S684 | K677-S681 PolarHBondContact O-N 3.05Å; D678-S681 PolarHBondContact O-N 3.42Å; S681-L683 VanDerWaalsContact C-N 3.31Å; S681-L683 PolarHBondContact O-N 2.94Å; S681-S684 PolarHBondContact O-N 3.42Å |
| 682 | M | 94.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -23.2 | 178.4 | -70.4 | -177.2 | 76 | 0 | 0 | 114.4 | M425 M426 C437 D678 F679 Q680 S684 S685 D690 A694 | M425-M682 HydrophobicContact CE-SD 3.9Å; M426-M682 HydrophobicContact CE-CG 4.23Å; M426-M682 HydrophobicContact CE-SD 4.44Å; C437-M682 WeakPolarHBondContact SG-CE 3.42Å; C437-M682 VanDerWaalsContact SG-SD 3.63Å; D678-M682 VanDerWaalsContact O-CG 3.31Å; D678-M682 WeakPolarHBondContact O-CG 3.18Å; D678-M682 PolarHBondContact O-N 3.07Å; F679-M682 HydrophobicContact CD1-SD 4.17Å; F679-M682 HydrophobicContact CE1-SD 4.45Å; F679-M682 PolarHBondContact O-N 3.26Å; Q680-M682 VanDerWaalsContact C-N 3.28Å; Q680-M682 PolarHBondContact O-N 2.89Å; M682-S684 PolarHBondContact O-N 3.3Å; M682-S685 WeakPolarHBondContact O-CB 3.45Å; M682-S685 PolarHBondContact O-N 3Å; M682-S685 VanDerWaalsContact O-N 3.09Å; M682-D690 HydrophobicContact CE-CB 3.45Å; M682-D690 VanDerWaalsContact CE-CB 3.45Å; M682-A694 HydrophobicContact CB-CB 4.06Å |
| 683 | L | 96.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -26.2 | 173.3 | -72.1 | 171.1 | 0 | 0 | 0 | 112.2 | F679 Q680 S681 A694 I695 F698 G712 L715 L716 L719 | F679-L683 PolarHBondContact O-N 2.96Å; F679-L683 VanDerWaalsContact O-N 3.16Å; Q680-L683 WeakPolarHBondContact O-CB 3.04Å; Q680-L683 PolarHBondContact O-N 3.48Å; S681-L683 VanDerWaalsContact C-N 3.31Å; S681-L683 PolarHBondContact O-N 2.94Å; L683-A694 HydrophobicContact CD2-CB 3.79Å; L683-A694 HydrophobicContact CG-CB 4.02Å; L683-I695 HydrophobicContact CD2-CG1 3.87Å; L683-F698 HydrophobicContact CD1-CD2 3.91Å; L683-F698 HydrophobicContact CD1-CE2 3.55Å; L683-F698 HydrophobicContact CD1-CZ 4.44Å; L683-F698 HydrophobicContact CD2-CD2 4.47Å; L683-F698 HydrophobicContact CG-CD2 4.41Å; L683-F698 HydrophobicContact CG-CE2 4.07Å; L683-G712 VanDerWaalsContact CD1-O 3.3Å; L683-G712 WeakPolarHBondContact CD1-O 3.43Å; L683-L715 HydrophobicContact CB-CD2 3.7Å; L683-L715 HydrophobicContact CB-CG 4.03Å; L683-L715 HydrophobicContact CD1-CB 4.04Å; L683-L715 HydrophobicContact CD1-CD2 4.01Å; L683-L715 HydrophobicContact CD1-CG 4.08Å; L683-L716 HydrophobicContact CD1-CB 4.31Å; L683-L716 HydrophobicContact CD2-CB 4.5Å; L683-L719 HydrophobicContact CB-CD1 4.41Å; L683-L719 HydrophobicContact CD2-CD1 3.87Å |
| 684 | S | 90.2 | Very high | 94.6 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.1 | 175.4 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | S681 M682 | S681-S684 PolarHBondContact O-N 3.42Å; M682-S684 PolarHBondContact O-N 3.3Å |
| 685 | S | 91.4 | Very high | 94.8 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | trans | -70.9 | 140.3 | -179 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | M682 T687 D690 V691 | M682-S685 WeakPolarHBondContact O-CB 3.45Å; M682-S685 PolarHBondContact O-N 3Å; M682-S685 VanDerWaalsContact O-N 3.09Å; S685-T687 PolarHBondContact O-N 2.88Å; S685-T687 PolarHBondContact OG-N 3.15Å; S685-T687 VanDerWaalsContact OG-N 3.12Å; S685-D690 PolarHBondContact OG-OD2 3.33Å; S685-V691 WeakPolarHBondContact O-CG2 3.47Å | ||
| 686 | K | 89.3 | Confident | 94.9 | Very high | 161 Ų | 161 | 42.5 Ų | 42.5 | 70% | 0.7 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -66.7 | -16.5 | 170 | -59.6 | -170.2 | 179.1 | -167.3 | 0 | 113 | D557 | D557-K686 IonicContact OD1-NZ 2.67Š|
| 687 | T | 92.2 | Very high | 95 | Very high | 51 Ų | 51 | 42 Ų | 42 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -89.7 | 113.2 | -179.4 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | A430 R433 S685 S689 D690 V691 | A430-T687 HydrophobicContact CB-CG2 4.29Å; R433-T687 PolarHBondContact NH2-OG1 3.5Å; S685-T687 PolarHBondContact O-N 2.88Å; S685-T687 PolarHBondContact OG-N 3.15Å; S685-T687 VanDerWaalsContact OG-N 3.12Å; T687-S689 WeakPolarHBondContact CG2-OG 3.26Å; T687-S689 PolarHBondContact O-N 3.43Å; T687-S689 VanDerWaalsContact O-N 3.1Å; T687-D690 WeakPolarHBondContact CB-OD2 3.44Å; T687-D690 WeakPolarHBondContact O-CB 3.42Å; T687-D690 PolarHBondContact O-N 3.18Å; T687-V691 PolarHBondContact O-N 3.12Å |
| 688 | I | 94.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 33% | 0.328 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -52.2 | -39 | -176.4 | -60.7 | 172.5 | 0 | 0 | 0 | 113.2 | D690 V691 I692 E724 I727 | I688-D690 VanDerWaalsContact C-N 3.3Å; I688-D690 PolarHBondContact O-N 3.31Å; I688-V691 PolarHBondContact O-N 3.46Å; I688-I692 HydrophobicContact CG2-CD1 3.78Å; I688-I692 HydrophobicContact CG2-CG1 4.36Å; I688-I692 WeakPolarHBondContact O-CG1 3.32Å; I688-I692 PolarHBondContact O-N 3.44Å; I688-I692 VanDerWaalsContact O-N 3.1Å; I688-E724 HydrophobicContact CD1-CG 4.25Å; I688-E724 HydrophobicContact CG1-CG 4.45Å; I688-I727 HydrophobicContact CG2-CG1 4.32Å |
| 689 | S | 94.3 | Very high | 95 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -33.3 | 179.4 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | T687 I692 E693 | T687-S689 WeakPolarHBondContact CG2-OG 3.26Å; T687-S689 PolarHBondContact O-N 3.43Å; T687-S689 VanDerWaalsContact O-N 3.1Å; S689-I692 PolarHBondContact O-N 3.13Å; S689-E693 VanDerWaalsContact O-CG 3.23Å; S689-E693 WeakPolarHBondContact O-CG 3.2Å; S689-E693 PolarHBondContact O-N 3.28Å; S689-E693 VanDerWaalsContact O-N 3.08Å |
| 690 | D | 95.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | -180 | -65 | -9.2 | 0 | 0 | 0 | 109.8 | R433 M682 S685 T687 I688 E693 A694 | R433-D690 IonicContact CZ-OD1 3.07Å; R433-D690 IonicContact CZ-OD2 3.46Å; R433-D690 VanDerWaalsContact CZ-OD2 3.29Å; R433-D690 IonicContact NE-OD1 3.57Å; R433-D690 PolarHBondContact NE-OD1 3.09Å; R433-D690 IonicContact NE-OD2 3.58Å; R433-D690 PolarHBondContact NE-OD2 3.38Å; R433-D690 IonicContact NH2-OD1 3.58Å; R433-D690 IonicContact NH2-OD2 3.09Å; R433-D690 PolarHBondContact NH2-OD2 3.38Å; M682-D690 HydrophobicContact CE-CB 3.45Å; M682-D690 VanDerWaalsContact CE-CB 3.45Å; S685-D690 PolarHBondContact OG-OD2 3.33Å; T687-D690 WeakPolarHBondContact CB-OD2 3.44Å; T687-D690 WeakPolarHBondContact O-CB 3.42Å; T687-D690 PolarHBondContact O-N 3.18Å; I688-D690 VanDerWaalsContact C-N 3.3Å; I688-D690 PolarHBondContact O-N 3.31Å; D690-E693 PolarHBondContact O-N 3.09Å; D690-A694 WeakPolarHBondContact O-CB 3.48Å; D690-A694 PolarHBondContact O-N 3.42Å |
| 691 | V | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -45 | 177.2 | -176 | 0 | 0 | 0 | 0 | 111.2 | S685 T687 I688 A694 I695 L719 I727 | S685-V691 WeakPolarHBondContact O-CG2 3.47Å; T687-V691 PolarHBondContact O-N 3.12Å; I688-V691 PolarHBondContact O-N 3.46Å; V691-A694 PolarHBondContact O-N 3.41Å; V691-I695 HydrophobicContact CG1-CD1 4.01Å; V691-I695 HydrophobicContact CG1-CG1 4.48Å; V691-I695 VanDerWaalsContact O-CG1 3.29Å; V691-I695 WeakPolarHBondContact O-CG1 3.33Å; V691-I695 PolarHBondContact O-N 3.47Å; V691-L719 HydrophobicContact CG1-CD1 3.6Å; V691-I727 HydrophobicContact CB-CD1 4.29Å; V691-I727 HydrophobicContact CG1-CD1 4.11Å; V691-I727 HydrophobicContact CG1-CG1 4.3Å; V691-I727 HydrophobicContact CG1-CG2 4.1Å; V691-I727 HydrophobicContact CG2-CD1 4.36Å |
| 692 | I | 97.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 35 Ų | 35 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.7 | -68.5 | 171.5 | 0 | 0 | 0 | 111.5 | I688 S689 A694 I695 E696 | I688-I692 HydrophobicContact CG2-CD1 3.78Å; I688-I692 HydrophobicContact CG2-CG1 4.36Å; I688-I692 WeakPolarHBondContact O-CG1 3.32Å; I688-I692 PolarHBondContact O-N 3.44Å; I688-I692 VanDerWaalsContact O-N 3.1Å; S689-I692 PolarHBondContact O-N 3.13Å; I692-A694 VanDerWaalsContact C-N 3.3Å; I692-A694 PolarHBondContact O-N 3.28Å; I692-I695 PolarHBondContact O-N 2.95Å; I692-E696 WeakPolarHBondContact O-CB 3.29Å; I692-E696 PolarHBondContact O-N 3.18Å |
| 693 | E | 96.7 | Very high | 94 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.4 | -29.3 | 179.9 | -58.4 | -71.6 | 161.5 | 0 | 0 | 111.3 | K434 C437 K438 S689 D690 F697 | K434-E693 VanDerWaalsContact CE-OE1 3.25Å; K434-E693 WeakPolarHBondContact CE-OE1 3.32Å; K434-E693 HydrophobicContact CG-CG 4.1Å; C437-E693 HydrophobicContact CB-CB 3.87Å; K438-E693 WeakPolarHBondContact CE-OE1 3.49Å; K438-E693 WeakPolarHBondContact CE-OE2 3.41Å; K438-E693 WeakPolarHBondContact CG-OE2 3.31Å; K438-E693 IonicContact NZ-OE1 3.71Å; K438-E693 PolarHBondContact NZ-OE1 3.39Å; K438-E693 IonicContact NZ-OE2 3.94Å; K438-E693 PolarHBondContact NZ-OE2 3.47Å; S689-E693 VanDerWaalsContact O-CG 3.23Å; S689-E693 WeakPolarHBondContact O-CG 3.2Å; S689-E693 PolarHBondContact O-N 3.28Å; S689-E693 VanDerWaalsContact O-N 3.08Å; D690-E693 PolarHBondContact O-N 3.09Å; E693-F697 WeakPolarHBondContact O-CB 3.32Å; E693-F697 PolarHBondContact O-N 3.3Å |
| 694 | A | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F679 M682 L683 D690 V691 I692 E696 F697 F698 | F679-A694 HydrophobicContact CB-CB 4.47Å; F679-A694 HydrophobicContact CD1-CB 3.79Å; M682-A694 HydrophobicContact CB-CB 4.06Å; L683-A694 HydrophobicContact CD2-CB 3.79Å; L683-A694 HydrophobicContact CG-CB 4.02Å; D690-A694 WeakPolarHBondContact O-CB 3.48Å; D690-A694 PolarHBondContact O-N 3.42Å; V691-A694 PolarHBondContact O-N 3.41Å; I692-A694 VanDerWaalsContact C-N 3.3Å; I692-A694 PolarHBondContact O-N 3.28Å; A694-E696 VanDerWaalsContact C-N 3.34Å; A694-E696 PolarHBondContact O-N 2.91Å; A694-F697 WeakPolarHBondContact O-CB 3.43Å; A694-F697 PolarHBondContact O-N 3.07Å; A694-F698 WeakPolarHBondContact O-CD2 3.45Å; A694-F698 PolarHBondContact O-N 3.12Å |
| 695 | I | 98.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 173 | -70.3 | 169.9 | 0 | 0 | 0 | 110.3 | L683 V691 I692 F697 F698 V699 L716 L719 I727 A730 V731 A734 | L683-I695 HydrophobicContact CD2-CG1 3.87Å; V691-I695 HydrophobicContact CG1-CD1 4.01Å; V691-I695 HydrophobicContact CG1-CG1 4.48Å; V691-I695 VanDerWaalsContact O-CG1 3.29Å; V691-I695 WeakPolarHBondContact O-CG1 3.33Å; V691-I695 PolarHBondContact O-N 3.47Å; I692-I695 PolarHBondContact O-N 2.95Å; I695-F697 VanDerWaalsContact C-N 3.32Å; I695-F697 PolarHBondContact O-N 3.48Å; I695-F698 PolarHBondContact O-N 3.48Å; I695-V699 WeakPolarHBondContact O-CG2 3.24Å; I695-V699 PolarHBondContact O-N 3.08Å; I695-V699 VanDerWaalsContact O-N 3.08Å; I695-L716 HydrophobicContact CB-CD1 4.28Å; I695-L716 HydrophobicContact CG1-CD1 4.09Å; I695-L716 HydrophobicContact CG1-CG 4.18Å; I695-L716 HydrophobicContact CG2-CD1 4.05Å; I695-L719 HydrophobicContact CD1-CD1 4.28Å; I695-I727 HydrophobicContact CD1-CG2 4.49Å; I695-A730 HydrophobicContact CD1-CB 3.83Å; I695-A730 HydrophobicContact CG2-CB 4.27Å; I695-V731 HydrophobicContact CD1-CG2 3.98Å; I695-A734 HydrophobicContact CG2-CB 3.72Å |
| 696 | E | 96.3 | Very high | 92.9 | Very high | 89 Ų | 89 | 36.9 Ų | 36.9 | 42% | 0.416 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 178.4 | -176.5 | 167.6 | -156 | 0 | 0 | 111.5 | K438 I692 A694 I700 | K438-E696 IonicContact NZ-OE2 2.93Å; I692-E696 WeakPolarHBondContact O-CB 3.29Å; I692-E696 PolarHBondContact O-N 3.18Å; A694-E696 VanDerWaalsContact C-N 3.34Å; A694-E696 PolarHBondContact O-N 2.91Å; E696-I700 HydrophobicContact CG-CD1 3.8Å; E696-I700 WeakPolarHBondContact O-CB 3.37Å; E696-I700 WeakPolarHBondContact O-CG1 3.43Å; E696-I700 PolarHBondContact O-N 3.46Å |
| 697 | F | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 172.7 | 170.2 | -93.7 | 0 | 0 | 0 | 112.4 | I444 I676 F679 E693 A694 I695 V699 I700 A701 | I444-F697 HydrophobicContact CD1-CD2 4.03Å; I444-F697 HydrophobicContact CD1-CE2 3.26Å; I444-F697 HydrophobicContact CD1-CZ 4.01Å; I676-F697 HydrophobicContact CG1-CE1 4.17Å; I676-F697 HydrophobicContact CG1-CZ 3.99Å; F679-F697 HydrophobicContact CB-CD1 3.76Å; F679-F697 HydrophobicContact CB-CE1 4.04Å; F679-F697 HydrophobicContact CB-CG 4.4Å; F679-F697 HydrophobicContact CD1-CB 3.92Å; F679-F697 HydrophobicContact CD1-CD1 4.28Å; F679-F697 HydrophobicContact CD1-CG 4.09Å; F679-F697 HydrophobicContact CD2-CB 4.03Å; F679-F697 AromaticContact CD2-CD1 3.35Å; F679-F697 HydrophobicContact CD2-CD1 3.35Å; F679-F697 AromaticContact CD2-CD2 3.41Å; F679-F697 HydrophobicContact CD2-CD2 3.41Å; F679-F697 VanDerWaalsContact CD2-CD2 3.41Å; F679-F697 AromaticContact CD2-CE1 3.51Å; F679-F697 HydrophobicContact CD2-CE1 3.51Å; F679-F697 AromaticContact CD2-CE2 3.5Å; F679-F697 HydrophobicContact CD2-CE2 3.5Å; F679-F697 VanDerWaalsContact CD2-CE2 3.5Å; F679-F697 AromaticContact CD2-CG 3.31Å; F679-F697 HydrophobicContact CD2-CG 3.31Å; F679-F697 AromaticContact CD2-CZ 3.58Å; F679-F697 HydrophobicContact CD2-CZ 3.58Å; F679-F697 HydrophobicContact CE1-CB 3.72Å; F679-F697 HydrophobicContact CE1-CD2 4.46Å; F679-F697 HydrophobicContact CE1-CG 4.09Å; F679-F697 HydrophobicContact CE2-CB 3.88Å; F679-F697 AromaticContact CE2-CD1 3.93Å; F679-F697 HydrophobicContact CE2-CD1 3.93Å; F679-F697 AromaticContact CE2-CD2 3.07Å; F679-F697 HydrophobicContact CE2-CD2 3.07Å; F679-F697 HydrophobicContact CE2-CE1 4.23Å; F679-F697 AromaticContact CE2-CE2 3.37Å; F679-F697 HydrophobicContact CE2-CE2 3.37Å; F679-F697 AromaticContact CE2-CG 3.35Å; F679-F697 HydrophobicContact CE2-CG 3.35Å; F679-F697 AromaticContact CE2-CZ 3.97Å; F679-F697 HydrophobicContact CE2-CZ 3.97Å; F679-F697 HydrophobicContact CG-CB 4.04Å; F679-F697 AromaticContact CG-CD1 3.56Å; F679-F697 HydrophobicContact CG-CD1 3.56Å; F679-F697 HydrophobicContact CG-CD2 4.26Å; F679-F697 HydrophobicContact CG-CE1 4.02Å; F679-F697 AromaticContact CG-CG 3.7Å; F679-F697 HydrophobicContact CG-CG 3.7Å; F679-F697 HydrophobicContact CZ-CB 3.69Å; F679-F697 AromaticContact CZ-CD2 3.65Å; F679-F697 HydrophobicContact CZ-CD2 3.65Å; F679-F697 HydrophobicContact CZ-CE2 4.36Å; F679-F697 AromaticContact CZ-CG 3.73Å; F679-F697 HydrophobicContact CZ-CG 3.73Å; E693-F697 WeakPolarHBondContact O-CB 3.32Å; E693-F697 PolarHBondContact O-N 3.3Å; A694-F697 WeakPolarHBondContact O-CB 3.43Å; A694-F697 PolarHBondContact O-N 3.07Å; I695-F697 VanDerWaalsContact C-N 3.32Å; I695-F697 PolarHBondContact O-N 3.48Å; F697-V699 VanDerWaalsContact C-N 3.31Å; F697-V699 PolarHBondContact O-N 3.38Å; F697-I700 PolarHBondContact O-N 3.05Å; F697-A701 HydrophobicContact CE1-CB 4.26Å; F697-A701 HydrophobicContact CZ-CB 4.29Å; F697-A701 WeakPolarHBondContact O-CB 3.38Å; F697-A701 PolarHBondContact O-N 3.08Å |
| 698 | F | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | -177.3 | -81.5 | -67.6 | 0 | 0 | 0 | 112.7 | I676 F679 Q680 L683 A694 I695 K702 L709 I713 L716 | I676-F698 HydrophobicContact CG2-CE1 4.41Å; F679-F698 HydrophobicContact CB-CE2 3.91Å; F679-F698 HydrophobicContact CB-CZ 4.08Å; Q680-F698 HydrophobicContact CG-CZ 3.81Å; L683-F698 HydrophobicContact CD1-CD2 3.91Å; L683-F698 HydrophobicContact CD1-CE2 3.55Å; L683-F698 HydrophobicContact CD1-CZ 4.44Å; L683-F698 HydrophobicContact CD2-CD2 4.47Å; L683-F698 HydrophobicContact CG-CD2 4.41Å; L683-F698 HydrophobicContact CG-CE2 4.07Å; A694-F698 WeakPolarHBondContact O-CD2 3.45Å; A694-F698 PolarHBondContact O-N 3.12Å; I695-F698 PolarHBondContact O-N 3.48Å; F698-K702 WeakPolarHBondContact O-CB 3.46Å; F698-K702 PolarHBondContact O-N 3.43Å; F698-L709 HydrophobicContact CD1-CB 4.31Å; F698-L709 HydrophobicContact CD1-CD2 4Å; F698-L709 HydrophobicContact CE1-CD2 4Å; F698-I713 HydrophobicContact CD1-CG1 4.49Å; F698-L716 HydrophobicContact CB-CD1 4.07Å |
| 699 | V | 94.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -51.7 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | I695 F697 K702 Q703 A734 K737 L738 | I695-V699 WeakPolarHBondContact O-CG2 3.24Å; I695-V699 PolarHBondContact O-N 3.08Å; I695-V699 VanDerWaalsContact O-N 3.08Å; F697-V699 VanDerWaalsContact C-N 3.31Å; F697-V699 PolarHBondContact O-N 3.38Å; V699-K702 PolarHBondContact O-N 3.26Å; V699-Q703 WeakPolarHBondContact O-CG 3.44Å; V699-Q703 PolarHBondContact O-N 3.2Å; V699-A734 HydrophobicContact CG2-CB 3.4Å; V699-K737 HydrophobicContact CG1-CB 3.99Å; V699-K737 HydrophobicContact CG1-CD 3.79Å; V699-L738 HydrophobicContact CG2-CD1 4.41Å; V699-L738 HydrophobicContact CG2-CG 4.39Å |
| 700 | I | 91.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | -178.1 | -72.3 | 172 | 0 | 0 | 0 | 111.3 | T441 L445 E696 F697 K702 Q703 A704 | T441-I700 HydrophobicContact CG2-CB 3.98Å; T441-I700 HydrophobicContact CG2-CD1 3.44Å; T441-I700 VanDerWaalsContact CG2-CD1 3.44Å; T441-I700 HydrophobicContact CG2-CG1 4.28Å; T441-I700 HydrophobicContact CG2-CG2 3.93Å; L445-I700 HydrophobicContact CD1-CG2 3.98Å; L445-I700 HydrophobicContact CD2-CG2 3.74Å; L445-I700 HydrophobicContact CG-CG2 3.73Å; E696-I700 HydrophobicContact CG-CD1 3.8Å; E696-I700 WeakPolarHBondContact O-CB 3.37Å; E696-I700 WeakPolarHBondContact O-CG1 3.43Å; E696-I700 PolarHBondContact O-N 3.46Å; F697-I700 PolarHBondContact O-N 3.05Å; I700-K702 VanDerWaalsContact C-N 3.34Å; I700-K702 PolarHBondContact O-N 3.23Å; I700-Q703 PolarHBondContact O-N 2.99Å; I700-A704 VanDerWaalsContact O-CB 3.24Å; I700-A704 WeakPolarHBondContact O-CB 3.36Å; I700-A704 PolarHBondContact O-N 2.99Å |
| 701 | A | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F697 A704 G705 I706 L709 | F697-A701 HydrophobicContact CE1-CB 4.26Å; F697-A701 HydrophobicContact CZ-CB 4.29Å; F697-A701 WeakPolarHBondContact O-CB 3.38Å; F697-A701 PolarHBondContact O-N 3.08Å; A701-A704 PolarHBondContact O-N 2.94Å; A701-G705 PolarHBondContact O-N 3.46Å; A701-I706 HydrophobicContact CB-CB 4.3Å; A701-I706 HydrophobicContact CB-CD1 4.05Å; A701-I706 WeakPolarHBondContact O-CB 3.34Å; A701-I706 PolarHBondContact O-N 2.82Å; A701-L709 HydrophobicContact CB-CD1 3.7Å; A701-L709 HydrophobicContact CB-CD2 3.97Å |
| 702 | K | 89.5 | Confident | 91.4 | Very high | 102 Ų | 102 | 38.2 Ų | 38.2 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 176.6 | -173.1 | 66.9 | 170.2 | -174.2 | 0 | 111.5 | F698 V699 I700 A704 G705 L709 I713 L738 | F698-K702 WeakPolarHBondContact O-CB 3.46Å; F698-K702 PolarHBondContact O-N 3.43Å; V699-K702 PolarHBondContact O-N 3.26Å; I700-K702 VanDerWaalsContact C-N 3.34Å; I700-K702 PolarHBondContact O-N 3.23Å; K702-A704 PolarHBondContact O-N 2.85Å; K702-G705 PolarHBondContact O-N 3.47Å; K702-L709 HydrophobicContact CB-CD1 3.95Å; K702-L709 HydrophobicContact CD-CD1 4.28Å; K702-L709 VanDerWaalsContact N-CD1 3.35Å; K702-I713 HydrophobicContact CD-CD1 4.09Å; K702-I713 HydrophobicContact CG-CD1 4.38Å; K702-L738 HydrophobicContact CB-CD2 3.6Å; K702-L738 HydrophobicContact CG-CD2 3.63Å |
| 703 | Q | 85.8 | Confident | 91.2 | Very high | 98 Ų | 98 | 36 Ų | 36 | 46% | 0.458 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -31.4 | 175.2 | -71.8 | 178.3 | -21.4 | 0 | 0 | 112.4 | V699 I700 G705 | V699-Q703 WeakPolarHBondContact O-CG 3.44Å; V699-Q703 PolarHBondContact O-N 3.2Å; I700-Q703 PolarHBondContact O-N 2.99Å; Q703-G705 PolarHBondContact O-N 3.32Å |
| 704 | A | 84.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 12% | 0.124 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I444 K451 I700 A701 K702 | I444-A704 HydrophobicContact CG2-CB 3.91Å; K451-A704 WeakPolarHBondContact CD-O 3.31Å; K451-A704 WeakPolarHBondContact CE-O 3.19Å; K451-A704 WeakPolarHBondContact CG-O 3.5Å; I700-A704 VanDerWaalsContact O-CB 3.24Å; I700-A704 WeakPolarHBondContact O-CB 3.36Å; I700-A704 PolarHBondContact O-N 2.99Å; A701-A704 PolarHBondContact O-N 2.94Å; K702-A704 PolarHBondContact O-N 2.85Å |
| 705 | G | 82.8 | Confident | 90.5 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 24.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A701 K702 Q703 | A701-G705 PolarHBondContact O-N 3.46Å; K702-G705 PolarHBondContact O-N 3.47Å; Q703-G705 PolarHBondContact O-N 3.32Å |
| 706 | I | 87.2 | Confident | 90.4 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | trans | -73.1 | 137.2 | 174.9 | -64.6 | -178.5 | 0 | 0 | 0 | 110.2 | I444 A450 I672 I676 A701 L709 | I444-I706 HydrophobicContact CB-CD1 4.26Å; I444-I706 HydrophobicContact CD1-CD1 3.72Å; I444-I706 HydrophobicContact CG1-CD1 3.89Å; I444-I706 HydrophobicContact CG2-CD1 3.4Å; I444-I706 VanDerWaalsContact CG2-CD1 3.4Å; I444-I706 HydrophobicContact CG2-CG1 4.38Å; A450-I706 HydrophobicContact CB-CD1 4.22Å; A450-I706 HydrophobicContact CB-CG1 4.46Å; I672-I706 HydrophobicContact CG2-CD1 4.24Å; I676-I706 HydrophobicContact CD1-CG2 3.94Å; A701-I706 HydrophobicContact CB-CB 4.3Å; A701-I706 HydrophobicContact CB-CD1 4.05Å; A701-I706 WeakPolarHBondContact O-CB 3.34Å; A701-I706 PolarHBondContact O-N 2.82Å; I706-L709 HydrophobicContact CB-CD1 4.26Å; I706-L709 HydrophobicContact CG2-CD2 4.14Å; I706-L709 HydrophobicContact CG2-CG 4.34Å; I706-L709 WeakPolarHBondContact O-CD1 3.13Å | ||
| 707 | K | 85.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -91.4 | 158.8 | 177 | -59.4 | 179.7 | -176 | 173.9 | 0 | 111.4 | T453 E456 | T453-K707 HydrophobicContact CG2-CD 3.63Å; E456-K707 IonicContact OE1-NZ 3.37Å; E456-K707 PolarHBondContact OE1-NZ 3.16Å |
| 708 | G | 86.8 | Confident | 89.9 | Confident | 38 Ų | 38 | 40.5 Ų | 40.5 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 84.8 | 23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I676 E710 | I676-G708 WeakPolarHBondContact CG2-O 3.46Å; G708-E710 WeakPolarHBondContact CA-OE2 3.46Å; G708-E710 PolarHBondContact N-OE2 3.43Å |
| 709 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -95.6 | -4.9 | -178 | -57.9 | 177.7 | 0 | 0 | 0 | 113 | I676 F698 A701 K702 I706 N711 G712 I713 | I676-L709 HydrophobicContact CD1-CD2 3.94Å; I676-L709 HydrophobicContact CG1-CD2 3.96Å; I676-L709 HydrophobicContact CG2-CD2 4.34Å; F698-L709 HydrophobicContact CD1-CB 4.31Å; F698-L709 HydrophobicContact CD1-CD2 4Å; F698-L709 HydrophobicContact CE1-CD2 4Å; A701-L709 HydrophobicContact CB-CD1 3.7Å; A701-L709 HydrophobicContact CB-CD2 3.97Å; K702-L709 HydrophobicContact CB-CD1 3.95Å; K702-L709 HydrophobicContact CD-CD1 4.28Å; K702-L709 VanDerWaalsContact N-CD1 3.35Å; I706-L709 HydrophobicContact CB-CD1 4.26Å; I706-L709 HydrophobicContact CG2-CD2 4.14Å; I706-L709 HydrophobicContact CG2-CG 4.34Å; I706-L709 WeakPolarHBondContact O-CD1 3.13Å; L709-N711 PolarHBondContact O-N 2.8Å; L709-G712 PolarHBondContact O-N 3.45Å; L709-G712 VanDerWaalsContact O-N 3.13Å; L709-I713 HydrophobicContact CB-CD1 3.98Å; L709-I713 HydrophobicContact CB-CG1 4.36Å; L709-I713 WeakPolarHBondContact O-CG1 3.4Å; L709-I713 PolarHBondContact O-N 2.74Å | ||
| 710 | E | 88.5 | Confident | 89.8 | Confident | 99 Ų | 99 | 41.5 Ų | 41.5 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -51.6 | -165.8 | -63.1 | 72.3 | -154.8 | 0 | 0 | 111.7 | G708 G712 I713 R714 | G708-E710 WeakPolarHBondContact CA-OE2 3.46Å; G708-E710 PolarHBondContact N-OE2 3.43Å; E710-G712 VanDerWaalsContact C-N 3.31Å; E710-G712 PolarHBondContact O-N 3.48Å; E710-I713 PolarHBondContact O-N 3.24Å; E710-R714 PolarHBondContact O-N 2.94Å |
| 711 | N | 88.1 | Confident | 89.8 | Confident | 107 Ų | 107 | 46 Ų | 46 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.8 | -37.7 | 179.1 | -66.1 | -4.3 | 0 | 0 | 0 | 112.3 | L709 R714 L715 | L709-N711 PolarHBondContact O-N 2.8Å; N711-R714 PolarHBondContact O-N 2.88Å; N711-L715 PolarHBondContact O-N 3.37Å; N711-L715 VanDerWaalsContact O-N 3.1Å |
| 712 | G | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L683 L709 E710 L716 | L683-G712 VanDerWaalsContact CD1-O 3.3Å; L683-G712 WeakPolarHBondContact CD1-O 3.43Å; L709-G712 PolarHBondContact O-N 3.45Å; L709-G712 VanDerWaalsContact O-N 3.13Å; E710-G712 VanDerWaalsContact C-N 3.31Å; E710-G712 PolarHBondContact O-N 3.48Å; G712-L716 WeakPolarHBondContact O-CB 3.39Å; G712-L716 PolarHBondContact O-N 3.43Å |
| 713 | I | 91.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 175.4 | -67.4 | 171 | 0 | 0 | 0 | 110.7 | F698 K702 L709 E710 L716 L717 Y739 | F698-I713 HydrophobicContact CD1-CG1 4.49Å; K702-I713 HydrophobicContact CD-CD1 4.09Å; K702-I713 HydrophobicContact CG-CD1 4.38Å; L709-I713 HydrophobicContact CB-CD1 3.98Å; L709-I713 HydrophobicContact CB-CG1 4.36Å; L709-I713 WeakPolarHBondContact O-CG1 3.4Å; L709-I713 PolarHBondContact O-N 2.74Å; E710-I713 PolarHBondContact O-N 3.24Å; I713-L716 WeakPolarHBondContact O-CB 3.38Å; I713-L716 PolarHBondContact O-N 3.3Å; I713-L717 WeakPolarHBondContact O-CG 3.29Å; I713-L717 PolarHBondContact O-N 3.05Å; I713-Y739 WeakPolarHBondContact CG2-OH 3.13Å |
| 714 | R | 89.2 | Confident | 89.9 | Confident | 86 Ų | 86 | 50 Ų | 50 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.5 | -73.3 | -176 | -179.3 | 149.1 | -0.6 | 111.9 | E710 N711 L716 L717 T718 D772 D777 | E710-R714 PolarHBondContact O-N 2.94Å; N711-R714 PolarHBondContact O-N 2.88Å; R714-L716 VanDerWaalsContact C-N 3.26Å; R714-L716 PolarHBondContact O-N 3.44Å; R714-L717 WeakPolarHBondContact O-CB 3.26Å; R714-L717 PolarHBondContact O-N 3.42Å; R714-T718 PolarHBondContact O-N 3.16Å; R714-D772 PolarHBondContact NH2-O 2.77Å; R714-D777 IonicContact NE-OD2 2.78Å |
| 715 | L | 92.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 29% | 0.293 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 175.9 | -174 | 61.8 | 0 | 0 | 0 | 112.1 | Q680 L683 N711 L717 T718 | Q680-L715 WeakPolarHBondContact O-CD2 3.38Å; L683-L715 HydrophobicContact CB-CD2 3.7Å; L683-L715 HydrophobicContact CB-CG 4.03Å; L683-L715 HydrophobicContact CD1-CB 4.04Å; L683-L715 HydrophobicContact CD1-CD2 4.01Å; L683-L715 HydrophobicContact CD1-CG 4.08Å; N711-L715 PolarHBondContact O-N 3.37Å; N711-L715 VanDerWaalsContact O-N 3.1Å; L715-L717 VanDerWaalsContact C-N 3.34Å; L715-L717 PolarHBondContact O-N 2.76Å; L715-T718 PolarHBondContact O-N 3.14Å; L715-T718 PolarHBondContact O-OG1 3.1Å |
| 716 | L | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 173.6 | 175.8 | 161.9 | 0 | 0 | 0 | 112.2 | L683 I695 F698 G712 I713 R714 L719 V731 A734 | L683-L716 HydrophobicContact CD1-CB 4.31Å; L683-L716 HydrophobicContact CD2-CB 4.5Å; I695-L716 HydrophobicContact CB-CD1 4.28Å; I695-L716 HydrophobicContact CG1-CD1 4.09Å; I695-L716 HydrophobicContact CG1-CG 4.18Å; I695-L716 HydrophobicContact CG2-CD1 4.05Å; F698-L716 HydrophobicContact CB-CD1 4.07Å; G712-L716 WeakPolarHBondContact O-CB 3.39Å; G712-L716 PolarHBondContact O-N 3.43Å; I713-L716 WeakPolarHBondContact O-CB 3.38Å; I713-L716 PolarHBondContact O-N 3.3Å; R714-L716 VanDerWaalsContact C-N 3.26Å; R714-L716 PolarHBondContact O-N 3.44Å; L716-L719 WeakPolarHBondContact O-CB 3.29Å; L716-L719 PolarHBondContact O-N 2.97Å; L716-V731 HydrophobicContact CD2-CG1 4.26Å; L716-A734 HydrophobicContact CD1-CB 4.34Å; L716-A734 HydrophobicContact CD2-CB 4.23Å |
| 717 | L | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | -179.2 | -66.8 | 175.1 | 0 | 0 | 0 | 112.3 | I713 R714 L715 L719 I720 C735 F769 I784 | I713-L717 WeakPolarHBondContact O-CG 3.29Å; I713-L717 PolarHBondContact O-N 3.05Å; R714-L717 WeakPolarHBondContact O-CB 3.26Å; R714-L717 PolarHBondContact O-N 3.42Å; L715-L717 VanDerWaalsContact C-N 3.34Å; L715-L717 PolarHBondContact O-N 2.76Å; L717-L719 PolarHBondContact O-N 3.07Å; L717-I720 VanDerWaalsContact O-CG2 3.3Å; L717-I720 WeakPolarHBondContact O-CG2 3.46Å; L717-I720 PolarHBondContact O-N 3.44Å; L717-C735 WeakPolarHBondContact CD2-SG 3.27Å; L717-F769 HydrophobicContact CD1-CE2 3.4Å; L717-F769 HydrophobicContact CD1-CZ 3.54Å; L717-I784 HydrophobicContact CD2-CD1 3.67Å |
| 718 | T | 91 | Very high | 91.5 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67 | -21.1 | 178.6 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | R714 L715 I720 W721 | R714-T718 PolarHBondContact O-N 3.16Å; L715-T718 PolarHBondContact O-N 3.14Å; L715-T718 PolarHBondContact O-OG1 3.1Å; T718-I720 PolarHBondContact O-N 2.77Å; T718-W721 WeakPolarHBondContact O-CB 3.48Å; T718-W721 PolarHBondContact O-N 2.75Å |
| 719 | L | 94.8 | Very high | 91.9 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -64.9 | -8.2 | 175.2 | -64.4 | 177 | 0 | 0 | 0 | 114.1 | L683 V691 I695 L716 L717 W721 S722 I727 V731 | L683-L719 HydrophobicContact CB-CD1 4.41Å; L683-L719 HydrophobicContact CD2-CD1 3.87Å; V691-L719 HydrophobicContact CG1-CD1 3.6Å; I695-L719 HydrophobicContact CD1-CD1 4.28Å; L716-L719 WeakPolarHBondContact O-CB 3.29Å; L716-L719 PolarHBondContact O-N 2.97Å; L717-L719 PolarHBondContact O-N 3.07Å; L719-W721 PolarHBondContact O-N 2.93Å; L719-W721 VanDerWaalsContact O-N 3.15Å; L719-S722 WeakPolarHBondContact O-CB 3.16Å; L719-S722 PolarHBondContact O-N 3.48Å; L719-I727 HydrophobicContact CB-CG2 3.92Å; L719-I727 HydrophobicContact CD1-CG2 4.27Å; L719-V731 HydrophobicContact CB-CG2 3.63Å |
| 720 | I | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -61.1 | -18.8 | 168.7 | -162.4 | 63.4 | 0 | 0 | 0 | 113 | L717 T718 V731 I732 R783 I784 | L717-I720 VanDerWaalsContact O-CG2 3.3Å; L717-I720 WeakPolarHBondContact O-CG2 3.46Å; L717-I720 PolarHBondContact O-N 3.44Å; T718-I720 PolarHBondContact O-N 2.77Å; I720-V731 HydrophobicContact CB-CG1 4.32Å; I720-V731 HydrophobicContact CD1-CG1 4.45Å; I720-I732 HydrophobicContact CD1-CD1 4.15Å; I720-I732 HydrophobicContact CD1-CG1 3.83Å; I720-R783 HydrophobicContact CG1-CB 4.42Å; I720-R783 HydrophobicContact CG1-CG 3.91Å; I720-R783 PolarHBondContact O-NE 2.64Å; I720-I784 HydrophobicContact CB-CD1 4.36Å; I720-I784 HydrophobicContact CB-CG1 4Å; I720-I784 HydrophobicContact CD1-CG1 3.92Å; I720-I784 HydrophobicContact CG1-CG1 3.73Å; I720-I784 HydrophobicContact CG2-CG1 4.39Å |
| 721 | W | 91.9 | Very high | 92.4 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -87.4 | -9.7 | 176.6 | -57.9 | 104 | 0 | 0 | 0 | 113.5 | T718 L719 V779 S780 R783 | T718-W721 WeakPolarHBondContact O-CB 3.48Å; T718-W721 PolarHBondContact O-N 2.75Å; L719-W721 PolarHBondContact O-N 2.93Å; L719-W721 VanDerWaalsContact O-N 3.15Å; W721-V779 HydrophobicContact CH2-CG1 4.11Å; W721-V779 HydrophobicContact CZ2-CG1 3.57Å; W721-S780 PolarHBondContact NE1-OG 3.02Å; W721-R783 HydrophobicContact CZ2-CB 4.38Å |
| 722 | S | 90.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 48 Ų | 48 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | trans | -56.7 | 146.4 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | L719 E724 K728 | L719-S722 WeakPolarHBondContact O-CB 3.16Å; L719-S722 PolarHBondContact O-N 3.48Å; S722-E724 VanDerWaalsContact C-N 3.26Å; S722-E724 PolarHBondContact O-N 2.88Å; S722-E724 PolarHBondContact OG-N 3.31Å; S722-K728 WeakPolarHBondContact O-CE 3.38Å; S722-K728 PolarHBondContact O-NZ 2.82Å | ||
| 723 | Q | 88.4 | Confident | 92.8 | Very high | 164 Ų | 164 | 53.2 Ų | 53.2 | 77% | 0.766 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73 | -20.6 | 174.2 | -60.3 | -56.4 | -18.7 | 0 | 0 | 112.9 | E725 K728 | Q723-E725 PolarHBondContact O-N 2.99Å; Q723-K728 PolarHBondContact O-NZ 3.34Å |
| 724 | E | 90.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | trans | -76.5 | 120.9 | -176.7 | -67 | -58.6 | 147.9 | 0 | 0 | 113.2 | I688 S722 T726 I727 K728 | I688-E724 HydrophobicContact CD1-CG 4.25Å; I688-E724 HydrophobicContact CG1-CG 4.45Å; S722-E724 VanDerWaalsContact C-N 3.26Å; S722-E724 PolarHBondContact O-N 2.88Å; S722-E724 PolarHBondContact OG-N 3.31Å; E724-T726 VanDerWaalsContact C-N 3.31Å; E724-T726 PolarHBondContact O-N 2.8Å; E724-I727 HydrophobicContact CB-CB 4.12Å; E724-I727 HydrophobicContact CB-CD1 3.84Å; E724-I727 HydrophobicContact CB-CG1 3.89Å; E724-I727 HydrophobicContact CG-CD1 4.17Å; E724-I727 PolarHBondContact O-N 2.9Å; E724-K728 PolarHBondContact O-N 2.65Å; E724-K728 VanDerWaalsContact O-N 3.09Å | ||
| 725 | E | 91.6 | Very high | 93 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -31.2 | -177.9 | -175.6 | 60.6 | -163.6 | 0 | 0 | 112.6 | Q723 K729 | Q723-E725 PolarHBondContact O-N 2.99Å; E725-K729 HydrophobicContact CG-CD 4.44Å; E725-K729 WeakPolarHBondContact O-CG 3.48Å; E725-K729 PolarHBondContact O-N 2.97Å; E725-K729 VanDerWaalsContact O-N 3.08Å; E725-K729 WeakPolarHBondContact OE1-CE 3.32Å; E725-K729 IonicContact OE1-NZ 3.63Å |
| 726 | T | 94.3 | Very high | 93 | Very high | 72 Ų | 72 | 48 Ų | 48 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 176.5 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | E724 A730 | E724-T726 VanDerWaalsContact C-N 3.31Å; E724-T726 PolarHBondContact O-N 2.8Å; T726-A730 PolarHBondContact O-N 3.27Å; T726-A730 VanDerWaalsContact O-N 3.12Å |
| 727 | I | 95 | Very high | 92.7 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 176.9 | -62.6 | 179.7 | 0 | 0 | 0 | 109.5 | I688 V691 I695 L719 E724 K729 A730 V731 | I688-I727 HydrophobicContact CG2-CG1 4.32Å; V691-I727 HydrophobicContact CB-CD1 4.29Å; V691-I727 HydrophobicContact CG1-CD1 4.11Å; V691-I727 HydrophobicContact CG1-CG1 4.3Å; V691-I727 HydrophobicContact CG1-CG2 4.1Å; V691-I727 HydrophobicContact CG2-CD1 4.36Å; I695-I727 HydrophobicContact CD1-CG2 4.49Å; L719-I727 HydrophobicContact CB-CG2 3.92Å; L719-I727 HydrophobicContact CD1-CG2 4.27Å; E724-I727 HydrophobicContact CB-CB 4.12Å; E724-I727 HydrophobicContact CB-CD1 3.84Å; E724-I727 HydrophobicContact CB-CG1 3.89Å; E724-I727 HydrophobicContact CG-CD1 4.17Å; E724-I727 PolarHBondContact O-N 2.9Å; I727-K729 VanDerWaalsContact C-N 3.3Å; I727-K729 PolarHBondContact O-N 3.31Å; I727-A730 WeakPolarHBondContact O-CB 3.46Å; I727-A730 PolarHBondContact O-N 3.28Å; I727-A730 VanDerWaalsContact O-N 3.07Å; I727-V731 HydrophobicContact CG2-CG2 4.3Å; I727-V731 WeakPolarHBondContact O-CG2 3.06Å; I727-V731 PolarHBondContact O-N 2.96Å |
| 728 | K | 94.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.9 | -45.9 | 176.3 | -75 | 176.6 | 172 | 120.2 | 0 | 112.7 | S722 Q723 E724 V731 I732 | S722-K728 WeakPolarHBondContact O-CE 3.38Å; S722-K728 PolarHBondContact O-NZ 2.82Å; Q723-K728 PolarHBondContact O-NZ 3.34Å; E724-K728 PolarHBondContact O-N 2.65Å; E724-K728 VanDerWaalsContact O-N 3.09Å; K728-V731 PolarHBondContact O-N 3.37Å; K728-I732 WeakPolarHBondContact O-CD1 3.48Å; K728-I732 VanDerWaalsContact O-CG1 3.23Å; K728-I732 WeakPolarHBondContact O-CG1 3.46Å; K728-I732 PolarHBondContact O-N 3.43Å |
| 729 | K | 94.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.9 | -74.9 | 175.6 | -179.2 | 172.8 | 0 | 112.1 | E725 I727 V731 I732 E733 | E725-K729 HydrophobicContact CG-CD 4.44Å; E725-K729 WeakPolarHBondContact O-CG 3.48Å; E725-K729 PolarHBondContact O-N 2.97Å; E725-K729 VanDerWaalsContact O-N 3.08Å; E725-K729 WeakPolarHBondContact OE1-CE 3.32Å; E725-K729 IonicContact OE1-NZ 3.63Å; I727-K729 VanDerWaalsContact C-N 3.3Å; I727-K729 PolarHBondContact O-N 3.31Å; K729-V731 VanDerWaalsContact C-N 3.32Å; K729-V731 PolarHBondContact O-N 3.21Å; K729-I732 PolarHBondContact O-N 3.43Å; K729-E733 WeakPolarHBondContact O-CG 3.2Å; K729-E733 PolarHBondContact O-N 3.36Å |
| 730 | A | 95.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | I695 T726 I727 E733 A734 | I695-A730 HydrophobicContact CD1-CB 3.83Å; I695-A730 HydrophobicContact CG2-CB 4.27Å; T726-A730 PolarHBondContact O-N 3.27Å; T726-A730 VanDerWaalsContact O-N 3.12Å; I727-A730 WeakPolarHBondContact O-CB 3.46Å; I727-A730 PolarHBondContact O-N 3.28Å; I727-A730 VanDerWaalsContact O-N 3.07Å; A730-E733 PolarHBondContact O-N 2.98Å; A730-A734 WeakPolarHBondContact O-CB 3.48Å; A730-A734 PolarHBondContact O-N 2.88Å |
| 731 | V | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | I695 L716 L719 I720 I727 K728 K729 A734 C735 I784 | I695-V731 HydrophobicContact CD1-CG2 3.98Å; L716-V731 HydrophobicContact CD2-CG1 4.26Å; L719-V731 HydrophobicContact CB-CG2 3.63Å; I720-V731 HydrophobicContact CB-CG1 4.32Å; I720-V731 HydrophobicContact CD1-CG1 4.45Å; I727-V731 HydrophobicContact CG2-CG2 4.3Å; I727-V731 WeakPolarHBondContact O-CG2 3.06Å; I727-V731 PolarHBondContact O-N 2.96Å; K728-V731 PolarHBondContact O-N 3.37Å; K729-V731 VanDerWaalsContact C-N 3.32Å; K729-V731 PolarHBondContact O-N 3.21Å; V731-A734 PolarHBondContact O-N 3.03Å; V731-C735 WeakPolarHBondContact O-CB 3.33Å; V731-C735 PolarHBondContact O-N 3.01Å; V731-C735 PolarHBondContact O-SG 3.33Å; V731-I784 HydrophobicContact CG1-CD1 4.18Å |
| 732 | I | 93.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.6 | -67.8 | 162.9 | 0 | 0 | 0 | 110.7 | I720 K728 K729 A734 C735 Q736 Q787 L788 | I720-I732 HydrophobicContact CD1-CD1 4.15Å; I720-I732 HydrophobicContact CD1-CG1 3.83Å; K728-I732 WeakPolarHBondContact O-CD1 3.48Å; K728-I732 VanDerWaalsContact O-CG1 3.23Å; K728-I732 WeakPolarHBondContact O-CG1 3.46Å; K728-I732 PolarHBondContact O-N 3.43Å; K729-I732 PolarHBondContact O-N 3.43Å; I732-A734 VanDerWaalsContact C-N 3.34Å; I732-A734 PolarHBondContact O-N 3.33Å; I732-C735 PolarHBondContact O-N 3.49Å; I732-Q736 WeakPolarHBondContact O-CB 3.34Å; I732-Q736 PolarHBondContact O-N 3.39Å; I732-Q787 HydrophobicContact CD1-CB 3.85Å; I732-Q787 HydrophobicContact CD1-CG 4.24Å; I732-Q787 HydrophobicContact CG1-CB 4.4Å; I732-L788 HydrophobicContact CG2-CD2 3.53Å; I732-L788 HydrophobicContact CG2-CG 4.05Å |
| 733 | E | 92.8 | Very high | 90.7 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.9 | -72 | 178 | -165.8 | 0 | 0 | 112.1 | K729 A730 Q736 K737 | K729-E733 WeakPolarHBondContact O-CG 3.2Å; K729-E733 PolarHBondContact O-N 3.36Å; A730-E733 PolarHBondContact O-N 2.98Å; E733-Q736 PolarHBondContact O-N 3.25Å; E733-K737 WeakPolarHBondContact O-CG 3.34Å; E733-K737 PolarHBondContact O-N 3.12Å |
| 734 | A | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -49 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I695 V699 L716 A730 V731 I732 Q736 K737 L738 | I695-A734 HydrophobicContact CG2-CB 3.72Å; V699-A734 HydrophobicContact CG2-CB 3.4Å; L716-A734 HydrophobicContact CD1-CB 4.34Å; L716-A734 HydrophobicContact CD2-CB 4.23Å; A730-A734 WeakPolarHBondContact O-CB 3.48Å; A730-A734 PolarHBondContact O-N 2.88Å; V731-A734 PolarHBondContact O-N 3.03Å; I732-A734 VanDerWaalsContact C-N 3.34Å; I732-A734 PolarHBondContact O-N 3.33Å; A734-Q736 VanDerWaalsContact C-N 3.29Å; A734-Q736 PolarHBondContact O-N 3.19Å; A734-K737 PolarHBondContact O-N 3.47Å; A734-K737 VanDerWaalsContact O-N 3.14Å; A734-L738 WeakPolarHBondContact O-CB 3.08Å; A734-L738 WeakPolarHBondContact O-CG 3.35Å; A734-L738 PolarHBondContact O-N 3.21Å |
| 735 | C | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 178.8 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | L717 V731 I732 L738 Y739 I784 | L717-C735 WeakPolarHBondContact CD2-SG 3.27Å; V731-C735 WeakPolarHBondContact O-CB 3.33Å; V731-C735 PolarHBondContact O-N 3.01Å; V731-C735 PolarHBondContact O-SG 3.33Å; I732-C735 PolarHBondContact O-N 3.49Å; C735-L738 PolarHBondContact O-N 3.36Å; C735-Y739 PolarHBondContact O-N 3.11Å; C735-I784 HydrophobicContact CB-CG2 3.71Å |
| 736 | Q | 91.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 56 Ų | 56 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -58.2 | -49.1 | 173.1 | -175.2 | -178.2 | 5.2 | 0 | 0 | 111.1 | I732 E733 A734 L738 L740 Q741 L788 | I732-Q736 WeakPolarHBondContact O-CB 3.34Å; I732-Q736 PolarHBondContact O-N 3.39Å; E733-Q736 PolarHBondContact O-N 3.25Å; A734-Q736 VanDerWaalsContact C-N 3.29Å; A734-Q736 PolarHBondContact O-N 3.19Å; Q736-L738 VanDerWaalsContact C-N 3.35Å; Q736-L740 HydrophobicContact CG-CB 4.39Å; Q736-L740 CarbonylContact O-C 3.14Å; Q736-L740 WeakPolarHBondContact O-CA 3.38Å; Q736-L740 WeakPolarHBondContact O-CB 3.27Å; Q736-L740 PolarHBondContact O-N 2.93Å; Q736-Q741 HydrophobicContact CG-CG 4.21Å; Q736-Q741 PolarHBondContact O-N 2.84Å; Q736-Q741 VanDerWaalsContact O-N 3.07Å; Q736-L788 HydrophobicContact CB-CD2 4.15Å |
| 737 | K | 90.5 | Very high | 88.6 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -66 | -35.3 | 178.7 | -73.1 | 173.2 | -178.8 | 174.9 | 0 | 113.1 | V699 E733 A734 | V699-K737 HydrophobicContact CG1-CB 3.99Å; V699-K737 HydrophobicContact CG1-CD 3.79Å; E733-K737 WeakPolarHBondContact O-CG 3.34Å; E733-K737 PolarHBondContact O-N 3.12Å; A734-K737 PolarHBondContact O-N 3.47Å; A734-K737 VanDerWaalsContact O-N 3.14Å |
| 738 | L | 90.4 | Very high | 88.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -79.9 | -37.6 | -175.1 | -71.5 | 173.1 | 0 | 0 | 0 | 113.5 | V699 K702 A734 C735 Q736 | V699-L738 HydrophobicContact CG2-CD1 4.41Å; V699-L738 HydrophobicContact CG2-CG 4.39Å; K702-L738 HydrophobicContact CB-CD2 3.6Å; K702-L738 HydrophobicContact CG-CD2 3.63Å; A734-L738 WeakPolarHBondContact O-CB 3.08Å; A734-L738 WeakPolarHBondContact O-CG 3.35Å; A734-L738 PolarHBondContact O-N 3.21Å; C735-L738 PolarHBondContact O-N 3.36Å; Q736-L738 VanDerWaalsContact C-N 3.35Å |
| 739 | Y | 89.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -121.8 | -22.2 | -169.3 | -59.8 | -72.4 | 0 | 0 | 0 | 114.5 | I713 C735 F769 M781 | I713-Y739 WeakPolarHBondContact CG2-OH 3.13Å; C735-Y739 PolarHBondContact O-N 3.11Å; Y739-F769 HydrophobicContact CD1-CB 4.23Å; Y739-F769 HydrophobicContact CE1-CB 3.9Å; Y739-F769 AromaticContact CE1-CD2 3.75Å; Y739-F769 HydrophobicContact CE1-CD2 3.75Å; Y739-F769 HydrophobicContact CE1-CG 4.07Å; Y739-F769 HydrophobicContact CE2-CD2 4.39Å; Y739-F769 AromaticContact CZ-CD2 3.61Å; Y739-F769 WeakPolarHBondContact OH-CD2 3.33Å; Y739-M781 HydrophobicContact CD2-CE 3.99Å; Y739-M781 HydrophobicContact CE2-CE 4.19Å; Y739-M781 HydrophobicContact CG-CE 4.35Å |
| 740 | L | 87.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -110.6 | -12.8 | -174.6 | -74.7 | 75.4 | 0 | 0 | 0 | 114.4 | Q736 P742 V762 L788 F794 | Q736-L740 HydrophobicContact CG-CB 4.39Å; Q736-L740 CarbonylContact O-C 3.14Å; Q736-L740 WeakPolarHBondContact O-CA 3.38Å; Q736-L740 WeakPolarHBondContact O-CB 3.27Å; Q736-L740 PolarHBondContact O-N 2.93Å; L740-P742 WeakPolarHBondContact O-CD 3.48Å; L740-V762 HydrophobicContact CG-CG1 4.49Å; L740-V762 VanDerWaalsContact O-CG2 3.28Å; L740-V762 WeakPolarHBondContact O-CG2 3.42Å; L740-L788 HydrophobicContact CD1-CD1 4.09Å; L740-L788 HydrophobicContact CD2-CD1 3.93Å; L740-F794 HydrophobicContact CD2-CD2 4.17Å; L740-F794 HydrophobicContact CD2-CE2 3.62Å; L740-F794 HydrophobicContact CD2-CZ 3.88Å |
| 741 | Q | 84.4 | Confident | 86 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | trans | -110 | 111.2 | -178.3 | -71.6 | -179 | -6.3 | 0 | 0 | 110.9 | Q736 | Q736-Q741 HydrophobicContact CG-CG 4.21Å; Q736-Q741 PolarHBondContact O-N 2.84Å; Q736-Q741 VanDerWaalsContact O-N 3.07Å | ||
| 742 | P | 83 | Confident | 85.1 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.071 | 37% | 0.365 | C | S | . | . | trans | -66.4 | 149.6 | 168.1 | -20.5 | 33.7 | 0 | 0 | 0 | 112.1 | L740 S744 Y747 L754 I761 V762 | L740-P742 WeakPolarHBondContact O-CD 3.48Å; P742-S744 PolarHBondContact O-N 3.39Å; P742-Y747 HydrophobicContact CB-CD2 3.47Å; P742-Y747 VanDerWaalsContact CB-CD2 3.47Å; P742-Y747 HydrophobicContact CB-CE2 4.31Å; P742-Y747 HydrophobicContact CB-CG 3.95Å; P742-Y747 HydrophobicContact CG-CD2 4.43Å; P742-Y747 HydrophobicContact CG-CG 4.47Å; P742-L754 HydrophobicContact CG-CD2 4.08Å; P742-I761 HydrophobicContact CB-CG2 4.41Å; P742-I761 HydrophobicContact CG-CG2 4.49Å; P742-V762 HydrophobicContact CG-CG2 4.03Å | ||
| 743 | D | 74.6 | Confident | 84.5 | Confident | 151 Ų | 151 | 70.2 Ų | 70.2 | 81% | 0.807 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -68.3 | -27.5 | -173.9 | -64.5 | -41.9 | 0 | 0 | 0 | 114.6 | ||
| 744 | S | 78.4 | Confident | 84.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -100.3 | 137.1 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | P742 E746 Y747 | P742-S744 PolarHBondContact O-N 3.39Å; S744-E746 PolarHBondContact O-N 2.89Å; S744-E746 PolarHBondContact OG-N 3.26Å; S744-Y747 WeakPolarHBondContact O-CD2 3.46Å; S744-Y747 PolarHBondContact O-N 2.92Å |
| 745 | E | 76.9 | Confident | 83.9 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -61.4 | -22 | 174.4 | -66.8 | -174.2 | 175 | 0 | 0 | 112.8 | Y747 F748 | E745-Y747 PolarHBondContact O-N 3.32Å; E745-Y747 VanDerWaalsContact O-N 3.17Å; E745-F748 PolarHBondContact O-N 3.02Å |
| 746 | E | 82.2 | Confident | 83.8 | Confident | 159 Ų | 159 | 72.9 Ų | 72.9 | 74% | 0.743 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -62.8 | -21 | 178.3 | -63.1 | 179.1 | 170.7 | 0 | 0 | 113.1 | S744 F748 | S744-E746 PolarHBondContact O-N 2.89Å; S744-E746 PolarHBondContact OG-N 3.26Å; E746-F748 PolarHBondContact O-N 3.25Å |
| 747 | Y | 84.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -82.3 | 0 | 177.5 | -60.1 | -53.9 | 0 | 0 | 0 | 113.7 | P742 S744 E745 T755 E757 I761 | P742-Y747 HydrophobicContact CB-CD2 3.47Å; P742-Y747 VanDerWaalsContact CB-CD2 3.47Å; P742-Y747 HydrophobicContact CB-CE2 4.31Å; P742-Y747 HydrophobicContact CB-CG 3.95Å; P742-Y747 HydrophobicContact CG-CD2 4.43Å; P742-Y747 HydrophobicContact CG-CG 4.47Å; S744-Y747 WeakPolarHBondContact O-CD2 3.46Å; S744-Y747 PolarHBondContact O-N 2.92Å; E745-Y747 PolarHBondContact O-N 3.32Å; E745-Y747 VanDerWaalsContact O-N 3.17Å; Y747-T755 WeakPolarHBondContact CA-OG1 3.43Å; Y747-T755 PolarHBondContact O-N 3.25Å; Y747-T755 PolarHBondContact O-OG1 3.43Å; Y747-E757 HydrophobicContact CD1-CB 4.16Å; Y747-E757 HydrophobicContact CE1-CB 4.2Å; Y747-I761 HydrophobicContact CD1-CD1 3.94Å; Y747-I761 HydrophobicContact CD2-CD1 3.99Å; Y747-I761 HydrophobicContact CE1-CD1 3.57Å; Y747-I761 HydrophobicContact CE2-CD1 3.58Å; Y747-I761 HydrophobicContact CG-CD1 4.16Å |
| 748 | F | 84.3 | Confident | 83.6 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 32% | 0.32 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -112.6 | 135.5 | 175.9 | -60 | -89.5 | 0 | 0 | 0 | 110.6 | E745 E746 T753 L754 | E745-F748 PolarHBondContact O-N 3.02Å; E746-F748 PolarHBondContact O-N 3.25Å; F748-T753 CarbonylContact C-O 3.6Å; F748-T753 WeakPolarHBondContact CA-O 3.47Å; F748-L754 HydrophobicContact CD1-CD2 4.16Å; F748-L754 HydrophobicContact CE1-CD2 3.82Å; F748-L754 HydrophobicContact CZ-CD2 4.28Å |
| 749 | K | 83 | Confident | 83.7 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | trans | -72.1 | 166 | 169.1 | -58.6 | -166.2 | -155.8 | 94 | 0 | 109.6 | D751 G752 T753 L754 T755 T797 | K749-D751 VanDerWaalsContact CB-OD1 3.26Å; K749-D751 WeakPolarHBondContact CB-OD1 3.47Å; K749-D751 PolarHBondContact O-N 3.47Å; K749-G752 PolarHBondContact O-N 2.97Å; K749-T753 WeakPolarHBondContact CD-OG1 3.45Å; K749-T753 PolarHBondContact N-O 3.09Å; K749-T753 PolarHBondContact NZ-OG1 3.32Å; K749-L754 WeakPolarHBondContact CE-O 3.48Å; K749-L754 PolarHBondContact NZ-O 3.38Å; K749-T755 HydrophobicContact CG-CG2 3.99Å; K749-T797 PolarHBondContact NZ-OG1 3.27Å | ||
| 750 | S | 77.6 | Confident | 83.8 | Confident | 141 Ų | 141 | 74.1 Ų | 74.1 | 99% | 0.986 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.7 | 179 | 52.6 | 0 | 0 | 0 | 0 | 115 | ||
| 751 | D | 77.6 | Confident | 84 | Confident | 111 Ų | 111 | 75.9 Ų | 75.9 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2 | 174.7 | 66 | -6.1 | 0 | 0 | 0 | 113.7 | K749 T753 | K749-D751 VanDerWaalsContact CB-OD1 3.26Å; K749-D751 WeakPolarHBondContact CB-OD1 3.47Å; K749-D751 PolarHBondContact O-N 3.47Å; D751-T753 WeakPolarHBondContact OD1-CB 3.34Å; D751-T753 WeakPolarHBondContact OD1-CG2 3.47Å; D751-T753 PolarHBondContact OD1-N 3.21Å; D751-T753 PolarHBondContact OD1-OG1 3.05Å; D751-T753 PolarHBondContact OD2-OG1 3.02Å |
| 752 | G | 78.5 | Confident | 84.4 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 88.2 | 0.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K749 | K749-G752 PolarHBondContact O-N 2.97Š|
| 753 | T | 82.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 156.7 | 176 | 64.3 | 0 | 0 | 0 | 0 | 112 | F748 K749 D751 | F748-T753 CarbonylContact C-O 3.6Å; F748-T753 WeakPolarHBondContact CA-O 3.47Å; K749-T753 WeakPolarHBondContact CD-OG1 3.45Å; K749-T753 PolarHBondContact N-O 3.09Å; K749-T753 PolarHBondContact NZ-OG1 3.32Å; D751-T753 WeakPolarHBondContact OD1-CB 3.34Å; D751-T753 WeakPolarHBondContact OD1-CG2 3.47Å; D751-T753 PolarHBondContact OD1-N 3.21Å; D751-T753 PolarHBondContact OD1-OG1 3.05Å; D751-T753 PolarHBondContact OD2-OG1 3.02Å |
| 754 | L | 84.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 142.7 | -179.9 | -72.1 | 167.3 | 0 | 0 | 0 | 111.6 | P742 F748 K749 V762 D795 L798 | P742-L754 HydrophobicContact CG-CD2 4.08Å; F748-L754 HydrophobicContact CD1-CD2 4.16Å; F748-L754 HydrophobicContact CE1-CD2 3.82Å; F748-L754 HydrophobicContact CZ-CD2 4.28Å; K749-L754 WeakPolarHBondContact CE-O 3.48Å; K749-L754 PolarHBondContact NZ-O 3.38Å; L754-V762 HydrophobicContact CD1-CG2 4.1Å; L754-D795 PolarHBondContact N-OD2 3.1Å; L754-L798 HydrophobicContact CD1-CB 4.33Å; L754-L798 HydrophobicContact CD1-CD2 4.35Å |
| 755 | T | 90.2 | Very high | 86.5 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 20% | 0.202 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 167.9 | 163.4 | 66.2 | 0 | 0 | 0 | 0 | 110 | Y747 K749 E757 G758 A759 | Y747-T755 WeakPolarHBondContact CA-OG1 3.43Å; Y747-T755 PolarHBondContact O-N 3.25Å; Y747-T755 PolarHBondContact O-OG1 3.43Å; K749-T755 HydrophobicContact CG-CG2 3.99Å; T755-E757 VanDerWaalsContact C-N 3.28Å; T755-E757 PolarHBondContact O-N 3.06Å; T755-G758 PolarHBondContact O-N 3.3Å; T755-G758 PolarHBondContact OG1-N 3.13Å; T755-G758 VanDerWaalsContact OG1-N 3.13Å; T755-A759 WeakPolarHBondContact O-CB 3.49Å; T755-A759 PolarHBondContact O-N 3.24Å |
| 756 | I | 89 | Confident | 87.3 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 177.5 | -62.6 | 171.9 | 0 | 0 | 0 | 110.5 | A759 D760 | I756-A759 PolarHBondContact O-N 3.16Å; I756-D760 PolarHBondContact O-N 3.24Å |
| 757 | E | 88 | Confident | 87.8 | Confident | 140 Ų | 140 | 51.9 Ų | 51.9 | 65% | 0.654 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 176 | -63.7 | 177.1 | -174.4 | 0 | 0 | 111.4 | Y747 T755 A759 D760 I761 | Y747-E757 HydrophobicContact CD1-CB 4.16Å; Y747-E757 HydrophobicContact CE1-CB 4.2Å; T755-E757 VanDerWaalsContact C-N 3.28Å; T755-E757 PolarHBondContact O-N 3.06Å; E757-A759 PolarHBondContact O-N 3.38Å; E757-D760 PolarHBondContact O-N 2.99Å; E757-I761 WeakPolarHBondContact O-CG1 3.27Å; E757-I761 PolarHBondContact O-N 3.47Å; E757-I761 VanDerWaalsContact O-N 3.11Å |
| 758 | G | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T755 D760 I761 V762 | T755-G758 PolarHBondContact O-N 3.3Å; T755-G758 PolarHBondContact OG1-N 3.13Å; T755-G758 VanDerWaalsContact OG1-N 3.13Å; G758-D760 VanDerWaalsContact C-N 3.28Å; G758-D760 PolarHBondContact O-N 2.74Å; G758-I761 PolarHBondContact O-N 3.19Å; G758-V762 WeakPolarHBondContact O-CG2 3.49Å; G758-V762 PolarHBondContact O-N 3.38Å; G758-V762 VanDerWaalsContact O-N 3.08Å |
| 759 | A | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T755 I756 E757 A763 L798 H801 | T755-A759 WeakPolarHBondContact O-CB 3.49Å; T755-A759 PolarHBondContact O-N 3.24Å; I756-A759 PolarHBondContact O-N 3.16Å; E757-A759 PolarHBondContact O-N 3.38Å; A759-A763 WeakPolarHBondContact O-CB 3.39Å; A759-A763 PolarHBondContact O-N 3.39Å; A759-L798 HydrophobicContact CB-CD1 4.18Å; A759-H801 HydrophobicContact CB-CB 3.82Å |
| 760 | D | 93.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 176.1 | -163.8 | 54.6 | 0 | 0 | 0 | 113.1 | I756 E757 G758 A763 T764 H801 R805 | I756-D760 PolarHBondContact O-N 3.24Å; E757-D760 PolarHBondContact O-N 2.99Å; G758-D760 VanDerWaalsContact C-N 3.28Å; G758-D760 PolarHBondContact O-N 2.74Å; D760-A763 PolarHBondContact O-N 2.83Å; D760-T764 WeakPolarHBondContact O-CB 3.47Å; D760-T764 PolarHBondContact O-N 3.5Å; D760-T764 PolarHBondContact O-OG1 3.28Å; D760-H801 VanDerWaalsContact CA-NE2 3.32Å; D760-H801 WeakPolarHBondContact CA-NE2 3.21Å; D760-H801 WeakPolarHBondContact CB-NE2 3.5Å; D760-H801 IonicContact OD1-CE1 2.75Å; D760-H801 IonicContact OD1-NE2 2.8Å; D760-H801 PolarHBondContact OD1-NE2 2.84Å; D760-R805 PolarHBondContact O-NH1 2.93Å; D760-R805 VanDerWaalsContact O-NH1 3.14Å; D760-R805 IonicContact OD1-NH1 2.67Å; D760-R805 PolarHBondContact OD1-NH1 2.88Å |
| 761 | I | 91.3 | Very high | 89.3 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 173.1 | -66.2 | 168 | 0 | 0 | 0 | 110.1 | P742 Y747 E757 G758 A763 T764 N765 | P742-I761 HydrophobicContact CB-CG2 4.41Å; P742-I761 HydrophobicContact CG-CG2 4.49Å; Y747-I761 HydrophobicContact CD1-CD1 3.94Å; Y747-I761 HydrophobicContact CD2-CD1 3.99Å; Y747-I761 HydrophobicContact CE1-CD1 3.57Å; Y747-I761 HydrophobicContact CE2-CD1 3.58Å; Y747-I761 HydrophobicContact CG-CD1 4.16Å; E757-I761 WeakPolarHBondContact O-CG1 3.27Å; E757-I761 PolarHBondContact O-N 3.47Å; E757-I761 VanDerWaalsContact O-N 3.11Å; G758-I761 PolarHBondContact O-N 3.19Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.16Å; I761-T764 WeakPolarHBondContact O-CB 3.42Å; I761-T764 PolarHBondContact O-N 2.96Å; I761-T764 VanDerWaalsContact O-N 3.12Å; I761-N765 VanDerWaalsContact O-CG 3.3Å; I761-N765 PolarHBondContact O-N 3.08Å; I761-N765 PolarHBondContact O-OD1 2.93Å |
| 762 | V | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L740 P742 L754 G758 T764 N765 L766 L798 | L740-V762 HydrophobicContact CG-CG1 4.49Å; L740-V762 VanDerWaalsContact O-CG2 3.28Å; L740-V762 WeakPolarHBondContact O-CG2 3.42Å; P742-V762 HydrophobicContact CG-CG2 4.03Å; L754-V762 HydrophobicContact CD1-CG2 4.1Å; G758-V762 WeakPolarHBondContact O-CG2 3.49Å; G758-V762 PolarHBondContact O-N 3.38Å; G758-V762 VanDerWaalsContact O-N 3.08Å; V762-T764 VanDerWaalsContact C-N 3.28Å; V762-T764 PolarHBondContact O-N 2.98Å; V762-N765 PolarHBondContact O-N 3.38Å; V762-L766 HydrophobicContact CG1-CD1 4.12Å; V762-L766 WeakPolarHBondContact O-CG 3.36Å; V762-L766 PolarHBondContact O-N 3.44Å; V762-L798 HydrophobicContact CB-CD1 4.07Å; V762-L798 HydrophobicContact CG1-CD1 3.78Å; V762-L798 HydrophobicContact CG1-CD2 3.94Å |
| 763 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A759 D760 I761 S767 L802 | A759-A763 WeakPolarHBondContact O-CB 3.39Å; A759-A763 PolarHBondContact O-N 3.39Å; D760-A763 PolarHBondContact O-N 2.83Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.16Å; A763-S767 WeakPolarHBondContact O-CB 3.49Å; A763-S767 PolarHBondContact O-N 3.34Å; A763-L802 HydrophobicContact CB-CD2 3.74Å |
| 764 | T | 94.1 | Very high | 90.2 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.9 | -45 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | D760 I761 V762 L766 S767 N768 R805 | D760-T764 WeakPolarHBondContact O-CB 3.47Å; D760-T764 PolarHBondContact O-N 3.5Å; D760-T764 PolarHBondContact O-OG1 3.28Å; I761-T764 WeakPolarHBondContact O-CB 3.42Å; I761-T764 PolarHBondContact O-N 2.96Å; I761-T764 VanDerWaalsContact O-N 3.12Å; V762-T764 VanDerWaalsContact C-N 3.28Å; V762-T764 PolarHBondContact O-N 2.98Å; T764-L766 VanDerWaalsContact C-N 3.33Å; T764-L766 PolarHBondContact O-N 3.21Å; T764-S767 PolarHBondContact O-N 3.04Å; T764-N768 WeakPolarHBondContact O-CB 3.38Å; T764-N768 VanDerWaalsContact O-CG 3.32Å; T764-N768 PolarHBondContact O-N 3.43Å; T764-N768 PolarHBondContact O-ND2 2.73Å; T764-R805 VanDerWaalsContact N-NH1 3.17Å; T764-R805 PolarHBondContact OG1-NH1 3.32Å; T764-R805 PolarHBondContact OG1-NH2 3.19Å |
| 765 | N | 91.9 | Very high | 90 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.7 | -68.6 | -12.1 | 0 | 0 | 0 | 111.5 | I761 V762 F769 | I761-N765 VanDerWaalsContact O-CG 3.3Å; I761-N765 PolarHBondContact O-N 3.08Å; I761-N765 PolarHBondContact O-OD1 2.93Å; V762-N765 PolarHBondContact O-N 3.38Å; N765-F769 WeakPolarHBondContact O-CB 3.38Å; N765-F769 PolarHBondContact O-N 2.99Å |
| 766 | L | 93.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 175.9 | -66.1 | 173.8 | 0 | 0 | 0 | 111.9 | V762 T764 N768 F769 I770 M781 I827 | V762-L766 HydrophobicContact CG1-CD1 4.12Å; V762-L766 WeakPolarHBondContact O-CG 3.36Å; V762-L766 PolarHBondContact O-N 3.44Å; T764-L766 VanDerWaalsContact C-N 3.33Å; T764-L766 PolarHBondContact O-N 3.21Å; L766-N768 PolarHBondContact O-N 2.87Å; L766-F769 WeakPolarHBondContact O-CB 3.47Å; L766-F769 PolarHBondContact O-N 3.41Å; L766-I770 VanDerWaalsContact O-CG1 3.27Å; L766-I770 WeakPolarHBondContact O-CG1 3.4Å; L766-I770 PolarHBondContact O-N 2.93Å; L766-M781 HydrophobicContact CD2-CE 4.46Å; L766-I827 HydrophobicContact CB-CD1 3.51Å; L766-I827 HydrophobicContact CB-CG1 4.24Å; L766-I827 HydrophobicContact CD1-CG2 4.24Å |
| 767 | S | 93.8 | Very high | 89.5 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.7 | -163.7 | 0 | 0 | 0 | 0 | 112 | A763 T764 F769 I770 R771 D820 S823 | A763-S767 WeakPolarHBondContact O-CB 3.49Å; A763-S767 PolarHBondContact O-N 3.34Å; T764-S767 PolarHBondContact O-N 3.04Å; S767-F769 VanDerWaalsContact C-N 3.35Å; S767-F769 PolarHBondContact O-N 3.41Å; S767-I770 PolarHBondContact O-N 3.47Å; S767-R771 PolarHBondContact O-N 2.95Å; S767-R771 VanDerWaalsContact O-N 3.11Å; S767-D820 VanDerWaalsContact CB-OD1 3.32Å; S767-D820 WeakPolarHBondContact CB-OD1 3.31Å; S767-D820 PolarHBondContact OG-OD1 3.49Å; S767-S823 WeakPolarHBondContact OG-CB 3.5Å |
| 768 | N | 90.7 | Very high | 89.6 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 176 | -70.9 | -19.6 | 0 | 0 | 0 | 111.4 | T764 L766 I770 R771 D772 | T764-N768 WeakPolarHBondContact O-CB 3.38Å; T764-N768 VanDerWaalsContact O-CG 3.32Å; T764-N768 PolarHBondContact O-N 3.43Å; T764-N768 PolarHBondContact O-ND2 2.73Å; L766-N768 PolarHBondContact O-N 2.87Å; N768-I770 PolarHBondContact O-N 3.2Å; N768-R771 PolarHBondContact O-N 3.34Å; N768-D772 PolarHBondContact O-N 3.04Å |
| 769 | F | 90.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 175.3 | 173.5 | -97.2 | 0 | 0 | 0 | 111.6 | L717 Y739 N765 L766 S767 R771 D772 S773 D777 M781 | L717-F769 HydrophobicContact CD1-CE2 3.4Å; L717-F769 HydrophobicContact CD1-CZ 3.54Å; Y739-F769 HydrophobicContact CD1-CB 4.23Å; Y739-F769 HydrophobicContact CE1-CB 3.9Å; Y739-F769 AromaticContact CE1-CD2 3.75Å; Y739-F769 HydrophobicContact CE1-CD2 3.75Å; Y739-F769 HydrophobicContact CE1-CG 4.07Å; Y739-F769 HydrophobicContact CE2-CD2 4.39Å; Y739-F769 AromaticContact CZ-CD2 3.61Å; Y739-F769 WeakPolarHBondContact OH-CD2 3.33Å; N765-F769 WeakPolarHBondContact O-CB 3.38Å; N765-F769 PolarHBondContact O-N 2.99Å; L766-F769 WeakPolarHBondContact O-CB 3.47Å; L766-F769 PolarHBondContact O-N 3.41Å; S767-F769 VanDerWaalsContact C-N 3.35Å; S767-F769 PolarHBondContact O-N 3.41Å; F769-R771 VanDerWaalsContact C-N 3.29Å; F769-R771 PolarHBondContact O-N 3.23Å; F769-D772 PolarHBondContact O-N 3.41Å; F769-S773 WeakPolarHBondContact CE1-OG 3.39Å; F769-S773 WeakPolarHBondContact CE2-OG 3.31Å; F769-S773 VanDerWaalsContact CZ-OG 3.23Å; F769-S773 WeakPolarHBondContact CZ-OG 3.31Å; F769-S773 VanDerWaalsContact O-CB 3.28Å; F769-S773 WeakPolarHBondContact O-CB 3.2Å; F769-S773 PolarHBondContact O-N 3.44Å; F769-S773 PolarHBondContact O-OG 3.39Å; F769-D777 HydrophobicContact CZ-CB 4.12Å; F769-M781 HydrophobicContact CD1-CE 3.4Å; F769-M781 VanDerWaalsContact CD1-CE 3.4Å; F769-M781 HydrophobicContact CD1-CG 4.25Å; F769-M781 HydrophobicContact CD2-CE 4.19Å; F769-M781 HydrophobicContact CE1-CB 3.68Å; F769-M781 HydrophobicContact CE1-CE 3.31Å; F769-M781 HydrophobicContact CE1-CG 3.66Å; F769-M781 HydrophobicContact CE1-SD 4.31Å; F769-M781 HydrophobicContact CE2-CE 4.1Å; F769-M781 HydrophobicContact CG-CE 3.86Å; F769-M781 HydrophobicContact CZ-CB 4.13Å; F769-M781 HydrophobicContact CZ-CE 3.67Å; F769-M781 HydrophobicContact CZ-CG 4.42Å |
| 770 | I | 91.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | -177.4 | -64 | -67.6 | 0 | 0 | 0 | 112 | L766 S767 N768 D772 S773 L778 L826 I827 M830 | L766-I770 VanDerWaalsContact O-CG1 3.27Å; L766-I770 WeakPolarHBondContact O-CG1 3.4Å; L766-I770 PolarHBondContact O-N 2.93Å; S767-I770 PolarHBondContact O-N 3.47Å; N768-I770 PolarHBondContact O-N 3.2Å; I770-D772 VanDerWaalsContact C-N 3.32Å; I770-D772 PolarHBondContact O-N 3.4Å; I770-S773 PolarHBondContact O-N 3.45Å; I770-L778 HydrophobicContact CD1-CD2 3.32Å; I770-L778 HydrophobicContact CG1-CD2 4.49Å; I770-L778 HydrophobicContact CG2-CD2 4.23Å; I770-L826 HydrophobicContact CG2-CB 4.38Å; I770-L826 HydrophobicContact CG2-CD1 3.68Å; I770-I827 HydrophobicContact CD1-CG1 4.43Å; I770-I827 HydrophobicContact CG1-CD1 4.28Å; I770-I827 HydrophobicContact CG1-CG1 3.98Å; I770-M830 HydrophobicContact CD1-CE 4.02Å |
| 771 | R | 88.7 | Confident | 89.7 | Confident | 152 Ų | 152 | 45 Ų | 45 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -66.1 | -32.7 | -179.4 | -174.1 | 177.9 | 60.5 | 94.5 | 24.7 | 113.2 | S767 N768 F769 | S767-R771 PolarHBondContact O-N 2.95Å; S767-R771 VanDerWaalsContact O-N 3.11Å; N768-R771 PolarHBondContact O-N 3.34Å; F769-R771 VanDerWaalsContact C-N 3.29Å; F769-R771 PolarHBondContact O-N 3.23Å |
| 772 | D | 83 | Confident | 89.7 | Confident | 86 Ų | 86 | 44 Ų | 44 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.3 | -175.8 | -55.9 | -34.1 | 0 | 0 | 0 | 112.6 | R714 N768 F769 I770 | R714-D772 PolarHBondContact NH2-O 2.77Å; N768-D772 PolarHBondContact O-N 3.04Å; F769-D772 PolarHBondContact O-N 3.41Å; I770-D772 VanDerWaalsContact C-N 3.32Å; I770-D772 PolarHBondContact O-N 3.4Å |
| 773 | S | 88.4 | Confident | 89.7 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | trans | -102.6 | 148.1 | -174.3 | -75.2 | 0 | 0 | 0 | 0 | 113.8 | F769 I770 | F769-S773 WeakPolarHBondContact CE1-OG 3.39Å; F769-S773 WeakPolarHBondContact CE2-OG 3.31Å; F769-S773 VanDerWaalsContact CZ-OG 3.23Å; F769-S773 WeakPolarHBondContact CZ-OG 3.31Å; F769-S773 VanDerWaalsContact O-CB 3.28Å; F769-S773 WeakPolarHBondContact O-CB 3.2Å; F769-S773 PolarHBondContact O-N 3.44Å; F769-S773 PolarHBondContact O-OG 3.39Å; I770-S773 PolarHBondContact O-N 3.45Å | ||
| 774 | E | 84.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 47.6 Ų | 47.6 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | trans | -91.4 | 171.6 | 170.5 | -64.9 | 179.2 | -162.9 | 0 | 0 | 112.1 | G776 D777 L778 | E774-G776 PolarHBondContact O-N 3.4Å; E774-D777 PolarHBondContact N-OD2 3.47Å; E774-D777 WeakPolarHBondContact O-CB 3.3Å; E774-D777 PolarHBondContact O-N 3.04Å; E774-D777 VanDerWaalsContact O-N 3.11Å; E774-L778 WeakPolarHBondContact O-CG 3.43Å; E774-L778 PolarHBondContact O-N 3.21Å; E774-L778 VanDerWaalsContact O-N 3.11Å | ||
| 775 | M | 81.1 | Confident | 89.6 | Confident | 140 Ų | 140 | 45.6 Ų | 45.6 | 69% | 0.69 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.3 | -36.6 | -179.4 | -173.1 | 65 | 71.9 | 0 | 0 | 112.5 | L778 V779 | M775-L778 PolarHBondContact O-N 2.91Å; M775-V779 WeakPolarHBondContact O-CG2 3.41Å; M775-V779 PolarHBondContact O-N 2.7Å; M775-V779 VanDerWaalsContact O-N 3.15Å |
| 776 | G | 80.3 | Confident | 89.5 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E774 V779 S780 | E774-G776 PolarHBondContact O-N 3.4Å; G776-V779 PolarHBondContact O-N 3.34Å; G776-S780 PolarHBondContact O-N 2.89Å; G776-S780 VanDerWaalsContact O-N 3.09Å; G776-S780 PolarHBondContact O-OG 3.34Å |
| 777 | D | 87.9 | Confident | 89.3 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.6 | -62.6 | -34.9 | 0 | 0 | 0 | 110.8 | R714 F769 E774 V779 S780 M781 | R714-D777 IonicContact NE-OD2 2.78Å; F769-D777 HydrophobicContact CZ-CB 4.12Å; E774-D777 PolarHBondContact N-OD2 3.47Å; E774-D777 WeakPolarHBondContact O-CB 3.3Å; E774-D777 PolarHBondContact O-N 3.04Å; E774-D777 VanDerWaalsContact O-N 3.11Å; D777-V779 PolarHBondContact O-N 3.11Å; D777-S780 PolarHBondContact O-N 3.04Å; D777-M781 VanDerWaalsContact O-CB 3.28Å; D777-M781 WeakPolarHBondContact O-CB 3.16Å; D777-M781 PolarHBondContact O-N 3Å |
| 778 | L | 90 | Very high | 89.2 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 179.2 | -63 | -179.6 | 0 | 0 | 0 | 112.4 | I770 E774 M775 M781 E782 M830 | I770-L778 HydrophobicContact CD1-CD2 3.32Å; I770-L778 HydrophobicContact CG1-CD2 4.49Å; I770-L778 HydrophobicContact CG2-CD2 4.23Å; E774-L778 WeakPolarHBondContact O-CG 3.43Å; E774-L778 PolarHBondContact O-N 3.21Å; E774-L778 VanDerWaalsContact O-N 3.11Å; M775-L778 PolarHBondContact O-N 2.91Å; L778-M781 PolarHBondContact O-N 3.47Å; L778-E782 WeakPolarHBondContact O-CB 3.39Å; L778-E782 PolarHBondContact O-N 3.26Å; L778-M830 HydrophobicContact CB-CE 4.16Å; L778-M830 HydrophobicContact CD2-CE 4.12Å |
| 779 | V | 91.2 | Very high | 89.1 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 178.5 | 168.8 | 0 | 0 | 0 | 0 | 111 | W721 M775 G776 D777 R783 | W721-V779 HydrophobicContact CH2-CG1 4.11Å; W721-V779 HydrophobicContact CZ2-CG1 3.57Å; M775-V779 WeakPolarHBondContact O-CG2 3.41Å; M775-V779 PolarHBondContact O-N 2.7Å; M775-V779 VanDerWaalsContact O-N 3.15Å; G776-V779 PolarHBondContact O-N 3.34Å; D777-V779 PolarHBondContact O-N 3.11Å; V779-R783 PolarHBondContact O-N 3.47Å |
| 780 | S | 91.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67 | -45.6 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | W721 G776 D777 E782 R783 I784 | W721-S780 PolarHBondContact NE1-OG 3.02Å; G776-S780 PolarHBondContact O-N 2.89Å; G776-S780 VanDerWaalsContact O-N 3.09Å; G776-S780 PolarHBondContact O-OG 3.34Å; D777-S780 PolarHBondContact O-N 3.04Å; S780-E782 VanDerWaalsContact C-N 3.34Å; S780-E782 PolarHBondContact O-N 3.27Å; S780-R783 PolarHBondContact O-N 3.46Å; S780-I784 WeakPolarHBondContact O-CD1 3.16Å; S780-I784 VanDerWaalsContact O-CG1 3.31Å; S780-I784 WeakPolarHBondContact O-CG1 3.43Å; S780-I784 PolarHBondContact O-N 2.89Å |
| 781 | M | 92.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.8 | -178.2 | 59.8 | 93.2 | 0 | 0 | 112 | Y739 L766 F769 D777 L778 R783 I784 I785 M830 | Y739-M781 HydrophobicContact CD2-CE 3.99Å; Y739-M781 HydrophobicContact CE2-CE 4.19Å; Y739-M781 HydrophobicContact CG-CE 4.35Å; L766-M781 HydrophobicContact CD2-CE 4.46Å; F769-M781 HydrophobicContact CD1-CE 3.4Å; F769-M781 VanDerWaalsContact CD1-CE 3.4Å; F769-M781 HydrophobicContact CD1-CG 4.25Å; F769-M781 HydrophobicContact CD2-CE 4.19Å; F769-M781 HydrophobicContact CE1-CB 3.68Å; F769-M781 HydrophobicContact CE1-CE 3.31Å; F769-M781 HydrophobicContact CE1-CG 3.66Å; F769-M781 HydrophobicContact CE1-SD 4.31Å; F769-M781 HydrophobicContact CE2-CE 4.1Å; F769-M781 HydrophobicContact CG-CE 3.86Å; F769-M781 HydrophobicContact CZ-CB 4.13Å; F769-M781 HydrophobicContact CZ-CE 3.67Å; F769-M781 HydrophobicContact CZ-CG 4.42Å; D777-M781 VanDerWaalsContact O-CB 3.28Å; D777-M781 WeakPolarHBondContact O-CB 3.16Å; D777-M781 PolarHBondContact O-N 3Å; L778-M781 PolarHBondContact O-N 3.47Å; M781-R783 VanDerWaalsContact C-N 3.31Å; M781-R783 PolarHBondContact O-N 3.46Å; M781-I784 PolarHBondContact O-N 2.84Å; M781-I785 HydrophobicContact CG-CD1 3.81Å; M781-I785 HydrophobicContact CG-CG1 4.25Å; M781-I785 WeakPolarHBondContact O-CB 3.02Å; M781-I785 WeakPolarHBondContact O-CG1 3.43Å; M781-I785 PolarHBondContact O-N 2.97Å; M781-I785 HydrophobicContact SD-CD1 4Å; M781-I785 HydrophobicContact SD-CG1 3.96Å; M781-M830 HydrophobicContact CG-SD 4.2Å |
| 782 | E | 92.4 | Very high | 88.3 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 175.9 | -179.5 | 174.5 | 166.3 | 0 | 0 | 111.4 | L778 S780 I785 Q786 M830 R874 | L778-E782 WeakPolarHBondContact O-CB 3.39Å; L778-E782 PolarHBondContact O-N 3.26Å; S780-E782 VanDerWaalsContact C-N 3.34Å; S780-E782 PolarHBondContact O-N 3.27Å; E782-I785 PolarHBondContact O-N 2.93Å; E782-Q786 WeakPolarHBondContact O-CB 3.46Å; E782-Q786 VanDerWaalsContact O-CG 3.25Å; E782-Q786 WeakPolarHBondContact O-CG 2.86Å; E782-Q786 PolarHBondContact O-N 3.05Å; E782-Q786 PolarHBondContact OE1-NE2 3.39Å; E782-M830 HydrophobicContact CB-CE 4.45Å; E782-M830 HydrophobicContact CB-CG 3.87Å; E782-M830 HydrophobicContact CB-SD 4.26Å; E782-M830 HydrophobicContact CG-CB 4.27Å; E782-M830 HydrophobicContact CG-CG 3.93Å; E782-R874 IonicContact OE1-CZ 3.63Å; E782-R874 IonicContact OE1-NH1 3.39Å; E782-R874 PolarHBondContact OE1-NH1 3.4Å; E782-R874 IonicContact OE1-NH2 3.31Å; E782-R874 PolarHBondContact OE1-NH2 2.95Å; E782-R874 IonicContact OE2-NH1 3.09Å; E782-R874 IonicContact OE2-NH2 2.59Å |
| 783 | R | 92 | Very high | 88.2 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.9 | -177.4 | 170.2 | 163 | 84.1 | -6.2 | 112 | I720 W721 V779 S780 M781 Q786 Q787 | I720-R783 HydrophobicContact CG1-CB 4.42Å; I720-R783 HydrophobicContact CG1-CG 3.91Å; I720-R783 PolarHBondContact O-NE 2.64Å; W721-R783 HydrophobicContact CZ2-CB 4.38Å; V779-R783 PolarHBondContact O-N 3.47Å; S780-R783 PolarHBondContact O-N 3.46Å; M781-R783 VanDerWaalsContact C-N 3.31Å; M781-R783 PolarHBondContact O-N 3.46Å; R783-Q786 PolarHBondContact O-N 2.96Å; R783-Q787 WeakPolarHBondContact O-CG 3.36Å; R783-Q787 PolarHBondContact O-N 2.96Å; R783-Q787 VanDerWaalsContact O-N 3.15Å |
| 784 | I | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 176.2 | -67.2 | 159.7 | 0 | 0 | 0 | 110.5 | L717 I720 V731 C735 S780 M781 Q786 Q787 L788 | L717-I784 HydrophobicContact CD2-CD1 3.67Å; I720-I784 HydrophobicContact CB-CD1 4.36Å; I720-I784 HydrophobicContact CB-CG1 4Å; I720-I784 HydrophobicContact CD1-CG1 3.92Å; I720-I784 HydrophobicContact CG1-CG1 3.73Å; I720-I784 HydrophobicContact CG2-CG1 4.39Å; V731-I784 HydrophobicContact CG1-CD1 4.18Å; C735-I784 HydrophobicContact CB-CG2 3.71Å; S780-I784 WeakPolarHBondContact O-CD1 3.16Å; S780-I784 VanDerWaalsContact O-CG1 3.31Å; S780-I784 WeakPolarHBondContact O-CG1 3.43Å; S780-I784 PolarHBondContact O-N 2.89Å; M781-I784 PolarHBondContact O-N 2.84Å; I784-Q786 VanDerWaalsContact C-N 3.32Å; I784-Q786 PolarHBondContact O-N 3.29Å; I784-Q787 PolarHBondContact O-N 3.08Å; I784-Q787 VanDerWaalsContact O-N 3.11Å; I784-L788 HydrophobicContact CG2-CD1 3.8Å; I784-L788 HydrophobicContact CG2-CG 4.33Å; I784-L788 WeakPolarHBondContact O-CG 3.44Å; I784-L788 PolarHBondContact O-N 3.03Å |
| 785 | I | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 178.1 | -72.2 | 175.4 | 0 | 0 | 0 | 110.8 | M781 E782 Q787 L788 I789 F794 M830 I831 | M781-I785 HydrophobicContact CG-CD1 3.81Å; M781-I785 HydrophobicContact CG-CG1 4.25Å; M781-I785 WeakPolarHBondContact O-CB 3.02Å; M781-I785 WeakPolarHBondContact O-CG1 3.43Å; M781-I785 PolarHBondContact O-N 2.97Å; M781-I785 HydrophobicContact SD-CD1 4Å; M781-I785 HydrophobicContact SD-CG1 3.96Å; E782-I785 PolarHBondContact O-N 2.93Å; I785-Q787 VanDerWaalsContact C-N 3.3Å; I785-Q787 PolarHBondContact O-N 3.24Å; I785-L788 PolarHBondContact O-N 3.38Å; I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.28Å; I785-I789 VanDerWaalsContact O-CG1 3.25Å; I785-I789 WeakPolarHBondContact O-CG1 3.38Å; I785-I789 PolarHBondContact O-N 2.68Å; I785-F794 HydrophobicContact CB-CZ 4.48Å; I785-F794 HydrophobicContact CG1-CE2 4.44Å; I785-F794 HydrophobicContact CG1-CZ 4.1Å; I785-F794 HydrophobicContact CG2-CE2 4.04Å; I785-F794 HydrophobicContact CG2-CZ 3.92Å; I785-M830 HydrophobicContact CB-CB 4.45Å; I785-M830 HydrophobicContact CD1-CB 4.08Å; I785-M830 HydrophobicContact CD1-SD 3.78Å; I785-M830 HydrophobicContact CG2-CB 4.17Å; I785-I831 HydrophobicContact CG2-CG1 3.89Å |
| 786 | Q | 90.2 | Very high | 88.1 | Confident | 94 Ų | 94 | 44.7 Ų | 44.7 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 176 | -74.8 | 172.4 | 4.8 | 0 | 0 | 112.3 | E782 R783 I784 A790 | E782-Q786 WeakPolarHBondContact O-CB 3.46Å; E782-Q786 VanDerWaalsContact O-CG 3.25Å; E782-Q786 WeakPolarHBondContact O-CG 2.86Å; E782-Q786 PolarHBondContact O-N 3.05Å; E782-Q786 PolarHBondContact OE1-NE2 3.39Å; R783-Q786 PolarHBondContact O-N 2.96Å; I784-Q786 VanDerWaalsContact C-N 3.32Å; I784-Q786 PolarHBondContact O-N 3.29Å; Q786-A790 WeakPolarHBondContact O-CB 3.24Å; Q786-A790 PolarHBondContact O-N 3.15Å |
| 787 | Q | 89.6 | Confident | 88.5 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.9 | -36.2 | 176.9 | -66.9 | -70.6 | 32.2 | 0 | 0 | 113 | I732 R783 I784 I785 A790 S791 | I732-Q787 HydrophobicContact CD1-CB 3.85Å; I732-Q787 HydrophobicContact CD1-CG 4.24Å; I732-Q787 HydrophobicContact CG1-CB 4.4Å; R783-Q787 WeakPolarHBondContact O-CG 3.36Å; R783-Q787 PolarHBondContact O-N 2.96Å; R783-Q787 VanDerWaalsContact O-N 3.15Å; I784-Q787 PolarHBondContact O-N 3.08Å; I784-Q787 VanDerWaalsContact O-N 3.11Å; I785-Q787 VanDerWaalsContact C-N 3.3Å; I785-Q787 PolarHBondContact O-N 3.24Å; Q787-A790 PolarHBondContact O-N 3.42Å; Q787-S791 WeakPolarHBondContact O-CB 3.31Å; Q787-S791 PolarHBondContact O-N 2.76Å; Q787-S791 PolarHBondContact O-OG 3.26Å |
| 788 | L | 90.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.1 | -73.6 | 169.8 | 0 | 0 | 0 | 111.8 | I732 Q736 L740 I784 I785 S791 N792 Q793 F794 | I732-L788 HydrophobicContact CG2-CD2 3.53Å; I732-L788 HydrophobicContact CG2-CG 4.05Å; Q736-L788 HydrophobicContact CB-CD2 4.15Å; L740-L788 HydrophobicContact CD1-CD1 4.09Å; L740-L788 HydrophobicContact CD2-CD1 3.93Å; I784-L788 HydrophobicContact CG2-CD1 3.8Å; I784-L788 HydrophobicContact CG2-CG 4.33Å; I784-L788 WeakPolarHBondContact O-CG 3.44Å; I784-L788 PolarHBondContact O-N 3.03Å; I785-L788 PolarHBondContact O-N 3.38Å; L788-S791 CarbonylContact O-C 3.48Å; L788-S791 PolarHBondContact O-N 2.84Å; L788-N792 PolarHBondContact O-N 3Å; L788-Q793 HydrophobicContact CB-CB 4.32Å; L788-Q793 HydrophobicContact CD2-CB 4.16Å; L788-Q793 HydrophobicContact CD2-CG 4.07Å; L788-Q793 PolarHBondContact O-N 3.25Å; L788-F794 HydrophobicContact CB-CD2 3.95Å; L788-F794 HydrophobicContact CB-CE2 3.73Å; L788-F794 HydrophobicContact CD1-CE2 4.16Å |
| 789 | I | 88.4 | Confident | 88.8 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.5 | -67.8 | 165.6 | 0 | 0 | 0 | 110.7 | I785 S791 N792 F794 I831 | I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.28Å; I785-I789 VanDerWaalsContact O-CG1 3.25Å; I785-I789 WeakPolarHBondContact O-CG1 3.38Å; I785-I789 PolarHBondContact O-N 2.68Å; I789-S791 PolarHBondContact O-N 3.47Å; I789-N792 PolarHBondContact O-N 2.79Å; I789-N792 VanDerWaalsContact O-N 3.09Å; I789-F794 HydrophobicContact CG1-CB 3.97Å; I789-F794 HydrophobicContact CG1-CD2 3.61Å; I789-F794 HydrophobicContact CG1-CE2 4.24Å; I789-F794 HydrophobicContact CG1-CG 3.82Å; I789-I831 HydrophobicContact CD1-CB 4.11Å; I789-I831 HydrophobicContact CD1-CG1 4.12Å; I789-I831 HydrophobicContact CD1-CG2 4.03Å |
| 790 | A | 87.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.1 | -29.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q786 Q787 N792 | Q786-A790 WeakPolarHBondContact O-CB 3.24Å; Q786-A790 PolarHBondContact O-N 3.15Å; Q787-A790 PolarHBondContact O-N 3.42Å; A790-N792 VanDerWaalsContact C-N 3.3Å |
| 791 | S | 85.3 | Confident | 89 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 44% | 0.441 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 10 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | Q787 L788 I789 Q793 | Q787-S791 WeakPolarHBondContact O-CB 3.31Å; Q787-S791 PolarHBondContact O-N 2.76Å; Q787-S791 PolarHBondContact O-OG 3.26Å; L788-S791 CarbonylContact O-C 3.48Å; L788-S791 PolarHBondContact O-N 2.84Å; I789-S791 PolarHBondContact O-N 3.47Å; S791-Q793 PolarHBondContact O-N 3.39Å; S791-Q793 PolarHBondContact O-NE2 3.3Å |
| 792 | N | 81.9 | Confident | 89.2 | Confident | 142 Ų | 142 | 45.4 Ų | 45.4 | 76% | 0.759 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.7 | -178.4 | -61.1 | -46.2 | 0 | 0 | 0 | 114.7 | L788 I789 A790 | L788-N792 PolarHBondContact O-N 3Å; I789-N792 PolarHBondContact O-N 2.79Å; I789-N792 VanDerWaalsContact O-N 3.09Å; A790-N792 VanDerWaalsContact C-N 3.3Å |
| 793 | Q | 80.4 | Confident | 89.3 | Confident | 86 Ų | 86 | 44.5 Ų | 44.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | -85.5 | -17 | 177.6 | -60 | -57.5 | -43.9 | 0 | 0 | 113.3 | L788 S791 | L788-Q793 HydrophobicContact CB-CB 4.32Å; L788-Q793 HydrophobicContact CD2-CB 4.16Å; L788-Q793 HydrophobicContact CD2-CG 4.07Å; L788-Q793 PolarHBondContact O-N 3.25Å; S791-Q793 PolarHBondContact O-N 3.39Å; S791-Q793 PolarHBondContact O-NE2 3.3Å | ||
| 794 | F | 84.6 | Confident | 89.5 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -92.1 | 105.2 | 170.9 | -81.6 | -101.9 | 0 | 0 | 0 | 109.4 | L740 I785 L788 I789 L798 I799 I831 | L740-F794 HydrophobicContact CD2-CD2 4.17Å; L740-F794 HydrophobicContact CD2-CE2 3.62Å; L740-F794 HydrophobicContact CD2-CZ 3.88Å; I785-F794 HydrophobicContact CB-CZ 4.48Å; I785-F794 HydrophobicContact CG1-CE2 4.44Å; I785-F794 HydrophobicContact CG1-CZ 4.1Å; I785-F794 HydrophobicContact CG2-CE2 4.04Å; I785-F794 HydrophobicContact CG2-CZ 3.92Å; L788-F794 HydrophobicContact CB-CD2 3.95Å; L788-F794 HydrophobicContact CB-CE2 3.73Å; L788-F794 HydrophobicContact CD1-CE2 4.16Å; I789-F794 HydrophobicContact CG1-CB 3.97Å; I789-F794 HydrophobicContact CG1-CD2 3.61Å; I789-F794 HydrophobicContact CG1-CE2 4.24Å; I789-F794 HydrophobicContact CG1-CG 3.82Å; F794-L798 HydrophobicContact CD1-CD2 3.71Å; F794-L798 HydrophobicContact CD1-CG 4.42Å; F794-L798 HydrophobicContact CE1-CD2 3.9Å; F794-L798 HydrophobicContact CG-CD2 4.49Å; F794-I799 HydrophobicContact CB-CD1 4.42Å; F794-I831 HydrophobicContact CD1-CD1 4.02Å; F794-I831 HydrophobicContact CD1-CG1 4.38Å; F794-I831 HydrophobicContact CE1-CD1 3.73Å; F794-I831 HydrophobicContact CE1-CG1 4.13Å |
| 795 | D | 83.5 | Confident | 89.6 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | trans | -79.2 | 163.1 | 178.2 | 75.8 | -20.8 | 0 | 0 | 0 | 111.9 | L754 T797 L798 I799 | L754-D795 PolarHBondContact N-OD2 3.1Å; D795-T797 PolarHBondContact O-N 3.46Å; D795-T797 VanDerWaalsContact OD2-CB 3.28Å; D795-T797 WeakPolarHBondContact OD2-CB 3.21Å; D795-T797 PolarHBondContact OD2-OG1 2.91Å; D795-L798 PolarHBondContact O-N 3.33Å; D795-L798 WeakPolarHBondContact OD1-CB 3.48Å; D795-L798 PolarHBondContact OD1-N 2.99Å; D795-I799 WeakPolarHBondContact O-CG1 3.37Å; D795-I799 PolarHBondContact O-N 2.9Å | ||
| 796 | S | 85.5 | Confident | 89.8 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -30.5 | 179 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | D800 | S796-D800 WeakPolarHBondContact O-CB 3.23Å; S796-D800 PolarHBondContact O-N 3.49Å; S796-D800 PolarHBondContact OG-OD2 2.92Å |
| 797 | T | 88.2 | Confident | 90 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -48.6 | 179.6 | -32.9 | 0 | 0 | 0 | 0 | 111.1 | K749 D795 D800 H801 | K749-T797 PolarHBondContact NZ-OG1 3.27Å; D795-T797 PolarHBondContact O-N 3.46Å; D795-T797 VanDerWaalsContact OD2-CB 3.28Å; D795-T797 WeakPolarHBondContact OD2-CB 3.21Å; D795-T797 PolarHBondContact OD2-OG1 2.91Å; T797-D800 PolarHBondContact O-N 3.5Å; T797-H801 WeakPolarHBondContact O-CB 3.38Å; T797-H801 PolarHBondContact O-N 2.88Å |
| 798 | L | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.7 | 179.1 | 59.9 | 0 | 0 | 0 | 111.5 | L754 A759 V762 F794 D795 D800 H801 L802 | L754-L798 HydrophobicContact CD1-CB 4.33Å; L754-L798 HydrophobicContact CD1-CD2 4.35Å; A759-L798 HydrophobicContact CB-CD1 4.18Å; V762-L798 HydrophobicContact CB-CD1 4.07Å; V762-L798 HydrophobicContact CG1-CD1 3.78Å; V762-L798 HydrophobicContact CG1-CD2 3.94Å; F794-L798 HydrophobicContact CD1-CD2 3.71Å; F794-L798 HydrophobicContact CD1-CG 4.42Å; F794-L798 HydrophobicContact CE1-CD2 3.9Å; F794-L798 HydrophobicContact CG-CD2 4.49Å; D795-L798 PolarHBondContact O-N 3.33Å; D795-L798 WeakPolarHBondContact OD1-CB 3.48Å; D795-L798 PolarHBondContact OD1-N 2.99Å; L798-D800 PolarHBondContact O-N 3.1Å; L798-H801 PolarHBondContact O-N 3.04Å; L798-L802 HydrophobicContact CD1-CD1 4.39Å; L798-L802 HydrophobicContact CD1-CG 4.25Å; L798-L802 HydrophobicContact CG-CD1 4.18Å; L798-L802 HydrophobicContact CG-CG 4.49Å; L798-L802 VanDerWaalsContact O-CG 3.3Å; L798-L802 WeakPolarHBondContact O-CG 3.44Å; L798-L802 PolarHBondContact O-N 3.33Å |
| 799 | I | 91.6 | Very high | 90.2 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.226 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 178.6 | -64.1 | 170.8 | 0 | 0 | 0 | 110.4 | F794 D795 H801 L802 W803 I831 | F794-I799 HydrophobicContact CB-CD1 4.42Å; D795-I799 WeakPolarHBondContact O-CG1 3.37Å; D795-I799 PolarHBondContact O-N 2.9Å; I799-H801 VanDerWaalsContact C-N 3.31Å; I799-H801 PolarHBondContact O-N 3.36Å; I799-L802 PolarHBondContact O-N 3.3Å; I799-W803 VanDerWaalsContact O-CD1 3.25Å; I799-W803 PolarHBondContact O-N 2.86Å; I799-I831 HydrophobicContact CD1-CG2 4.37Å; I799-I831 HydrophobicContact CG1-CG2 4.21Å |
| 800 | D | 92.4 | Very high | 90.3 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 178.3 | -70 | -28.3 | 0 | 0 | 0 | 111.2 | S796 T797 L798 W803 Q804 R841 | S796-D800 WeakPolarHBondContact O-CB 3.23Å; S796-D800 PolarHBondContact O-N 3.49Å; S796-D800 PolarHBondContact OG-OD2 2.92Å; T797-D800 PolarHBondContact O-N 3.5Å; L798-D800 PolarHBondContact O-N 3.1Å; D800-W803 PolarHBondContact O-N 3.47Å; D800-Q804 WeakPolarHBondContact O-CG 3.41Å; D800-Q804 PolarHBondContact O-N 3.32Å; D800-R841 IonicContact OD1-CZ 3.19Å; D800-R841 IonicContact OD1-NH1 3.24Å; D800-R841 IonicContact OD1-NH2 2.75Å; D800-R841 PolarHBondContact OD1-NH2 3.42Å; D800-R841 IonicContact OD2-NH2 2.66Å |
| 801 | H | 95.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.3 | -165.3 | 77.2 | 0 | 0 | 0 | 113 | A759 D760 T797 L798 I799 W803 Q804 R805 | A759-H801 HydrophobicContact CB-CB 3.82Å; D760-H801 VanDerWaalsContact CA-NE2 3.32Å; D760-H801 WeakPolarHBondContact CA-NE2 3.21Å; D760-H801 WeakPolarHBondContact CB-NE2 3.5Å; D760-H801 IonicContact OD1-CE1 2.75Å; D760-H801 IonicContact OD1-NE2 2.8Å; D760-H801 PolarHBondContact OD1-NE2 2.84Å; T797-H801 WeakPolarHBondContact O-CB 3.38Å; T797-H801 PolarHBondContact O-N 2.88Å; L798-H801 PolarHBondContact O-N 3.04Å; I799-H801 VanDerWaalsContact C-N 3.31Å; I799-H801 PolarHBondContact O-N 3.36Å; H801-W803 VanDerWaalsContact C-N 3.29Å; H801-W803 PolarHBondContact O-N 3.07Å; H801-Q804 PolarHBondContact O-N 3.5Å; H801-Q804 VanDerWaalsContact O-N 3.11Å; H801-R805 WeakPolarHBondContact O-CB 3.36Å; H801-R805 PolarHBondContact O-N 3.43Å |
| 802 | L | 95.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 176 | -71 | 168.2 | 0 | 0 | 0 | 111.7 | A763 L798 I799 R805 F806 M824 I827 I831 | A763-L802 HydrophobicContact CB-CD2 3.74Å; L798-L802 HydrophobicContact CD1-CD1 4.39Å; L798-L802 HydrophobicContact CD1-CG 4.25Å; L798-L802 HydrophobicContact CG-CD1 4.18Å; L798-L802 HydrophobicContact CG-CG 4.49Å; L798-L802 VanDerWaalsContact O-CG 3.3Å; L798-L802 WeakPolarHBondContact O-CG 3.44Å; L798-L802 PolarHBondContact O-N 3.33Å; I799-L802 PolarHBondContact O-N 3.3Å; L802-R805 PolarHBondContact O-N 2.97Å; L802-F806 PolarHBondContact O-N 2.86Å; L802-M824 HydrophobicContact CD2-SD 3.69Å; L802-I827 HydrophobicContact CD1-CG2 3.93Å; L802-I827 HydrophobicContact CD2-CG2 4.2Å; L802-I831 HydrophobicContact CD1-CD1 3.35Å |
| 803 | W | 95.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 173 | -80.1 | 109.1 | 0 | 0 | 0 | 112.6 | I799 D800 H801 F806 I807 I828 V832 H842 T845 L846 V871 | I799-W803 VanDerWaalsContact O-CD1 3.25Å; I799-W803 PolarHBondContact O-N 2.86Å; D800-W803 PolarHBondContact O-N 3.47Å; H801-W803 VanDerWaalsContact C-N 3.29Å; H801-W803 PolarHBondContact O-N 3.07Å; W803-F806 HydrophobicContact CE3-CD1 4.28Å; W803-F806 HydrophobicContact CZ3-CD1 4.41Å; W803-F806 PolarHBondContact O-N 3.24Å; W803-I807 VanDerWaalsContact O-CG1 3.3Å; W803-I807 WeakPolarHBondContact O-CG1 3.36Å; W803-I807 PolarHBondContact O-N 2.95Å; W803-I828 HydrophobicContact CD2-CD1 3.92Å; W803-I828 HydrophobicContact CE3-CD1 3.85Å; W803-I828 HydrophobicContact CG-CD1 4.47Å; W803-I828 HydrophobicContact CH2-CD1 4.45Å; W803-I828 HydrophobicContact CH2-CG2 3.65Å; W803-I828 HydrophobicContact CZ2-CG2 3.43Å; W803-I828 VanDerWaalsContact CZ2-CG2 3.43Å; W803-I828 HydrophobicContact CZ3-CD1 4.12Å; W803-I828 HydrophobicContact CZ3-CG2 4.35Å; W803-V832 HydrophobicContact CZ2-CG1 4.02Å; W803-H842 AromaticContact CD1-CE1 3.47Å; W803-H842 VanDerWaalsContact CD1-CE1 3.47Å; W803-H842 AromaticContact CD1-NE2 3.91Å; W803-H842 AromaticContact CD2-CE1 3.56Å; W803-H842 AromaticContact CD2-ND1 3.37Å; W803-H842 AromaticContact CE2-CD2 3.83Å; W803-H842 AromaticContact CE2-CE1 3.5Å; W803-H842 AromaticContact CE2-CG 3.63Å; W803-H842 AromaticContact CE2-ND1 3.42Å; W803-H842 AromaticContact CE2-NE2 3.8Å; W803-H842 AromaticContact CE3-ND1 3.65Å; W803-H842 AromaticContact CG-CE1 3.56Å; W803-H842 AromaticContact CG-ND1 3.84Å; W803-H842 HydrophobicContact CH2-CB 3.56Å; W803-H842 AromaticContact CH2-CG 3.77Å; W803-H842 HydrophobicContact CZ2-CB 3.75Å; W803-H842 AromaticContact CZ2-CD2 3.8Å; W803-H842 AromaticContact CZ2-CG 3.49Å; W803-H842 VanDerWaalsContact CZ2-CG 3.49Å; W803-H842 AromaticContact CZ2-ND1 3.76Å; W803-H842 HydrophobicContact CZ3-CB 3.98Å; W803-H842 AromaticContact CZ3-ND1 3.97Å; W803-H842 AromaticContact NE1-CD2 3.95Å; W803-H842 AromaticContact NE1-CE1 3.42Å; W803-H842 PolarHBondContact NE1-CE1 3.2Å; W803-H842 AromaticContact NE1-ND1 3.85Å; W803-H842 AromaticContact NE1-NE2 3.52Å; W803-T845 HydrophobicContact CE3-CG2 4.31Å; W803-T845 HydrophobicContact CZ3-CG2 4.45Å; W803-L846 HydrophobicContact CH2-CD1 4.12Å; W803-L846 HydrophobicContact CH2-CD2 3.96Å; W803-L846 HydrophobicContact CH2-CG 4.06Å; W803-L846 HydrophobicContact CZ3-CD2 3.79Å; W803-L846 HydrophobicContact CZ3-CG 4.01Å; W803-V871 HydrophobicContact CH2-CG1 4.37Å |
| 804 | Q | 95.4 | Very high | 90.5 | Very high | 115 Ų | 115 | 46.5 Ų | 46.5 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.8 | -68.2 | -55 | -41.3 | 0 | 0 | 111.8 | D800 H801 I807 Q808 | D800-Q804 WeakPolarHBondContact O-CG 3.41Å; D800-Q804 PolarHBondContact O-N 3.32Å; H801-Q804 PolarHBondContact O-N 3.5Å; H801-Q804 VanDerWaalsContact O-N 3.11Å; Q804-I807 PolarHBondContact O-N 3.23Å; Q804-Q808 WeakPolarHBondContact O-CB 3.5Å; Q804-Q808 PolarHBondContact O-N 3.08Å |
| 805 | R | 95.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177 | -172.8 | 171 | 175.5 | 152 | -11.6 | 111.9 | D760 T764 H801 L802 Q808 S809 D820 M824 | D760-R805 PolarHBondContact O-NH1 2.93Å; D760-R805 VanDerWaalsContact O-NH1 3.14Å; D760-R805 IonicContact OD1-NH1 2.67Å; D760-R805 PolarHBondContact OD1-NH1 2.88Å; T764-R805 VanDerWaalsContact N-NH1 3.17Å; T764-R805 PolarHBondContact OG1-NH1 3.32Å; T764-R805 PolarHBondContact OG1-NH2 3.19Å; H801-R805 WeakPolarHBondContact O-CB 3.36Å; H801-R805 PolarHBondContact O-N 3.43Å; L802-R805 PolarHBondContact O-N 2.97Å; R805-Q808 PolarHBondContact O-N 3.46Å; R805-S809 VanDerWaalsContact O-CB 3.3Å; R805-S809 WeakPolarHBondContact O-CB 3.48Å; R805-S809 PolarHBondContact O-N 2.91Å; R805-S809 PolarHBondContact O-OG 3.48Å; R805-D820 IonicContact CZ-OD1 3.2Å; R805-D820 IonicContact CZ-OD2 3.54Å; R805-D820 IonicContact NE-OD1 3.25Å; R805-D820 PolarHBondContact NE-OD1 3.47Å; R805-D820 IonicContact NE-OD2 2.81Å; R805-D820 PolarHBondContact NE-OD2 3.02Å; R805-D820 IonicContact NH2-OD1 3.43Å; R805-D820 PolarHBondContact NH2-OD1 3.49Å; R805-D820 IonicContact NH2-OD2 3.24Å; R805-M824 HydrophobicContact CB-CG 4.37Å; R805-M824 HydrophobicContact CB-SD 4.24Å; R805-M824 HydrophobicContact CG-CG 4.11Å; R805-M824 HydrophobicContact CG-SD 4.11Å |
| 806 | F | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 170.2 | 169.4 | -115.6 | 0 | 0 | 0 | 112.2 | L802 W803 Q808 S809 A810 A821 M824 L825 I828 T845 L846 H849 | L802-F806 PolarHBondContact O-N 2.86Å; W803-F806 HydrophobicContact CE3-CD1 4.28Å; W803-F806 HydrophobicContact CZ3-CD1 4.41Å; W803-F806 PolarHBondContact O-N 3.24Å; F806-Q808 PolarHBondContact O-N 3.09Å; F806-S809 WeakPolarHBondContact CA-OG 3.43Å; F806-S809 PolarHBondContact O-N 3.06Å; F806-S809 PolarHBondContact O-OG 3.35Å; F806-A810 HydrophobicContact CE2-CB 4.15Å; F806-A810 HydrophobicContact CZ-CB 4.43Å; F806-A810 WeakPolarHBondContact O-CB 3.41Å; F806-A810 PolarHBondContact O-N 3.26Å; F806-A821 HydrophobicContact CD2-CB 4.27Å; F806-A821 HydrophobicContact CE2-CB 4.4Å; F806-M824 HydrophobicContact CB-CB 3.85Å; F806-M824 HydrophobicContact CB-CG 4.45Å; F806-M824 HydrophobicContact CD2-CB 4.45Å; F806-L825 HydrophobicContact CD2-CD1 4.46Å; F806-L825 HydrophobicContact CD2-CD2 4.06Å; F806-L825 HydrophobicContact CD2-CG 3.8Å; F806-L825 HydrophobicContact CE1-CD2 4.18Å; F806-L825 HydrophobicContact CE2-CD1 3.68Å; F806-L825 HydrophobicContact CE2-CD2 3.6Å; F806-L825 HydrophobicContact CE2-CG 3.43Å; F806-L825 VanDerWaalsContact CE2-CG 3.43Å; F806-L825 HydrophobicContact CZ-CD1 4.21Å; F806-L825 HydrophobicContact CZ-CD2 3.66Å; F806-L825 HydrophobicContact CZ-CG 4.02Å; F806-I828 HydrophobicContact CB-CD1 4.02Å; F806-I828 HydrophobicContact CG-CD1 4.36Å; F806-T845 HydrophobicContact CD1-CG2 4.43Å; F806-T845 HydrophobicContact CE1-CG2 4.38Å; F806-L846 HydrophobicContact CE1-CD2 4.31Å; F806-H849 HydrophobicContact CE1-CB 3.89Å; F806-H849 HydrophobicContact CZ-CB 4.01Å |
| 807 | I | 94.9 | Very high | 90.8 | Very high | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.195 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 178.9 | -69 | 164.4 | 0 | 0 | 0 | 111 | W803 Q804 S811 T845 | W803-I807 VanDerWaalsContact O-CG1 3.3Å; W803-I807 WeakPolarHBondContact O-CG1 3.36Å; W803-I807 PolarHBondContact O-N 2.95Å; Q804-I807 PolarHBondContact O-N 3.23Å; I807-S811 WeakPolarHBondContact O-CB 3.38Å; I807-S811 PolarHBondContact O-N 3.24Å; I807-S811 PolarHBondContact O-OG 3.36Å; I807-T845 HydrophobicContact CD1-CG2 3.69Å; I807-T845 HydrophobicContact CG1-CG2 3.55Å |
| 808 | Q | 93.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | -179.5 | -179.8 | 176.5 | -10.2 | 0 | 0 | 111.6 | Q804 R805 F806 S811 R812 | Q804-Q808 WeakPolarHBondContact O-CB 3.5Å; Q804-Q808 PolarHBondContact O-N 3.08Å; R805-Q808 PolarHBondContact O-N 3.46Å; F806-Q808 PolarHBondContact O-N 3.09Å; Q808-S811 PolarHBondContact O-N 3.25Å; Q808-R812 VanDerWaalsContact NE2-NH2 3.12Å |
| 809 | S | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.1 | -38.8 | -178.2 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | R805 F806 S811 R812 S817 A821 | R805-S809 VanDerWaalsContact O-CB 3.3Å; R805-S809 WeakPolarHBondContact O-CB 3.48Å; R805-S809 PolarHBondContact O-N 2.91Å; R805-S809 PolarHBondContact O-OG 3.48Å; F806-S809 WeakPolarHBondContact CA-OG 3.43Å; F806-S809 PolarHBondContact O-N 3.06Å; F806-S809 PolarHBondContact O-OG 3.35Å; S809-S811 PolarHBondContact O-N 3.23Å; S809-R812 PolarHBondContact O-N 3.4Å; S809-S817 VanDerWaalsContact C-OG 3.25Å; S809-S817 WeakPolarHBondContact CA-OG 3.48Å; S809-S817 WeakPolarHBondContact CB-O 3.47Å; S809-S817 PolarHBondContact O-OG 3.24Å; S809-A821 VanDerWaalsContact OG-CA 3.28Å; S809-A821 WeakPolarHBondContact OG-CA 3.48Å; S809-A821 WeakPolarHBondContact OG-CB 3.2Å |
| 810 | A | 90.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -18.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F806 R812 A821 H849 | F806-A810 HydrophobicContact CE2-CB 4.15Å; F806-A810 HydrophobicContact CZ-CB 4.43Å; F806-A810 WeakPolarHBondContact O-CB 3.41Å; F806-A810 PolarHBondContact O-N 3.26Å; A810-R812 VanDerWaalsContact C-N 3.35Å; A810-A821 HydrophobicContact CB-CB 4.31Å; A810-H849 HydrophobicContact CB-CB 3.84Å |
| 811 | S | 87.4 | Confident | 91 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.3 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | I807 Q808 S809 | I807-S811 WeakPolarHBondContact O-CB 3.38Å; I807-S811 PolarHBondContact O-N 3.24Å; I807-S811 PolarHBondContact O-OG 3.36Å; Q808-S811 PolarHBondContact O-N 3.25Å; S809-S811 PolarHBondContact O-N 3.23Å |
| 812 | R | 87.6 | Confident | 90.9 | Very high | 137 Ų | 137 | 53.1 Ų | 53.1 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | trans | -114.5 | 161 | 178.2 | -56.3 | 175.5 | 177.3 | -174.8 | -1.8 | 111.1 | Q808 S809 A810 D814 | Q808-R812 VanDerWaalsContact NE2-NH2 3.12Å; S809-R812 PolarHBondContact O-N 3.4Å; A810-R812 VanDerWaalsContact C-N 3.35Å; R812-D814 VanDerWaalsContact CB-OD1 3.25Å; R812-D814 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 813 | T | 77.5 | Confident | 90.9 | Very high | 114 Ų | 114 | 53.4 Ų | 53.4 | 70% | 0.699 | 27% | 0.269 | S | S | * | . | trans | -104.3 | -7 | -173.8 | 54 | 0 | 0 | 0 | 0 | 114.2 | L854 | T813-L854 HydrophobicContact CG2-CD2 3.44Å; T813-L854 VanDerWaalsContact CG2-CD2 3.44Å | ||
| 814 | D | 85.8 | Confident | 91 | Very high | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.1 | 149.1 | -179.6 | 59.7 | -74.6 | 0 | 0 | 0 | 111.6 | R812 D816 S817 S818 | R812-D814 VanDerWaalsContact CB-OD1 3.25Å; R812-D814 WeakPolarHBondContact CB-OD1 3.49Å; D814-D816 VanDerWaalsContact C-N 3.32Å; D814-D816 PolarHBondContact O-N 3.04Å; D814-S817 PolarHBondContact O-N 3Å; D814-S817 WeakPolarHBondContact OD1-CB 3.22Å; D814-S817 WeakPolarHBondContact OD2-CB 3.47Å; D814-S817 PolarHBondContact OD2-N 3.27Å; D814-S818 PolarHBondContact O-N 3.15Å |
| 815 | K | 84.2 | Confident | 91 | Very high | 163 Ų | 163 | 47.5 Ų | 47.5 | 71% | 0.709 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.8 | -43.9 | -175.2 | -172.8 | -179.4 | 176.2 | -173.7 | 0 | 111.2 | S817 S818 D819 | K815-S817 PolarHBondContact O-N 3.29Å; K815-S818 WeakPolarHBondContact O-CB 3.38Å; K815-S818 PolarHBondContact O-N 3.33Å; K815-S818 VanDerWaalsContact O-N 3.11Å; K815-D819 PolarHBondContact O-N 3.47Å |
| 816 | D | 87.5 | Confident | 91 | Very high | 131 Ų | 131 | 47 Ų | 47 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.1 | -43.1 | -179.9 | -58.8 | -28.8 | 0 | 0 | 0 | 111.5 | D814 S818 D819 D820 | D814-D816 VanDerWaalsContact C-N 3.32Å; D814-D816 PolarHBondContact O-N 3.04Å; D816-S818 VanDerWaalsContact C-N 3.35Å; D816-S818 PolarHBondContact O-N 3.33Å; D816-D819 PolarHBondContact O-N 3.45Å; D816-D820 WeakPolarHBondContact O-CB 3.36Å; D816-D820 PolarHBondContact O-N 3.03Å |
| 817 | S | 88.9 | Confident | 91 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 174 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | S809 D814 K815 A821 | S809-S817 VanDerWaalsContact C-OG 3.25Å; S809-S817 WeakPolarHBondContact CA-OG 3.48Å; S809-S817 WeakPolarHBondContact CB-O 3.47Å; S809-S817 PolarHBondContact O-OG 3.24Å; D814-S817 PolarHBondContact O-N 3Å; D814-S817 WeakPolarHBondContact OD1-CB 3.22Å; D814-S817 WeakPolarHBondContact OD2-CB 3.47Å; D814-S817 PolarHBondContact OD2-N 3.27Å; K815-S817 PolarHBondContact O-N 3.29Å; S817-A821 WeakPolarHBondContact O-CB 3.34Å; S817-A821 PolarHBondContact O-N 3.06Å |
| 818 | S | 89.2 | Confident | 91 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 173.2 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | D814 K815 D816 A821 K822 D861 | D814-S818 PolarHBondContact O-N 3.15Å; K815-S818 WeakPolarHBondContact O-CB 3.38Å; K815-S818 PolarHBondContact O-N 3.33Å; K815-S818 VanDerWaalsContact O-N 3.11Å; D816-S818 VanDerWaalsContact C-N 3.35Å; D816-S818 PolarHBondContact O-N 3.33Å; S818-A821 WeakPolarHBondContact O-CB 3.14Å; S818-A821 PolarHBondContact O-N 3.4Å; S818-K822 WeakPolarHBondContact O-CG 3.49Å; S818-K822 PolarHBondContact O-N 2.93Å; S818-K822 VanDerWaalsContact O-N 3.13Å; S818-D861 PolarHBondContact OG-OD2 3.33Å |
| 819 | D | 90.5 | Very high | 91.1 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70 | -37.7 | 179 | -67.2 | -24.4 | 0 | 0 | 0 | 111.5 | K815 D816 A821 K822 S823 | K815-D819 PolarHBondContact O-N 3.47Å; D816-D819 PolarHBondContact O-N 3.45Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.7Å; D819-K822 WeakPolarHBondContact O-CB 3.26Å; D819-K822 PolarHBondContact O-N 3.33Å; D819-K822 IonicContact OD1-NZ 2.77Å; D819-K822 PolarHBondContact OD1-NZ 3.36Å; D819-S823 PolarHBondContact O-N 3.05Å; D819-S823 PolarHBondContact O-OG 3.34Å |
| 820 | D | 93.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 171.3 | -168 | 65.4 | 0 | 0 | 0 | 111.4 | S767 R805 D816 K822 S823 M824 | S767-D820 VanDerWaalsContact CB-OD1 3.32Å; S767-D820 WeakPolarHBondContact CB-OD1 3.31Å; S767-D820 PolarHBondContact OG-OD1 3.49Å; R805-D820 IonicContact CZ-OD1 3.2Å; R805-D820 IonicContact CZ-OD2 3.54Å; R805-D820 IonicContact NE-OD1 3.25Å; R805-D820 PolarHBondContact NE-OD1 3.47Å; R805-D820 IonicContact NE-OD2 2.81Å; R805-D820 PolarHBondContact NE-OD2 3.02Å; R805-D820 IonicContact NH2-OD1 3.43Å; R805-D820 PolarHBondContact NH2-OD1 3.49Å; R805-D820 IonicContact NH2-OD2 3.24Å; D816-D820 WeakPolarHBondContact O-CB 3.36Å; D816-D820 PolarHBondContact O-N 3.03Å; D820-K822 VanDerWaalsContact C-N 3.31Å; D820-K822 PolarHBondContact O-N 3.43Å; D820-S823 PolarHBondContact O-N 3.21Å; D820-M824 VanDerWaalsContact O-CG 3.29Å; D820-M824 WeakPolarHBondContact O-CG 3.38Å; D820-M824 PolarHBondContact O-N 3.14Å |
| 821 | A | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F806 S809 A810 S817 S818 D819 L825 | F806-A821 HydrophobicContact CD2-CB 4.27Å; F806-A821 HydrophobicContact CE2-CB 4.4Å; S809-A821 VanDerWaalsContact OG-CA 3.28Å; S809-A821 WeakPolarHBondContact OG-CA 3.48Å; S809-A821 WeakPolarHBondContact OG-CB 3.2Å; A810-A821 HydrophobicContact CB-CB 4.31Å; S817-A821 WeakPolarHBondContact O-CB 3.34Å; S817-A821 PolarHBondContact O-N 3.06Å; S818-A821 WeakPolarHBondContact O-CB 3.14Å; S818-A821 PolarHBondContact O-N 3.4Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.7Å; A821-L825 WeakPolarHBondContact O-CG 3.42Å; A821-L825 PolarHBondContact O-N 2.88Å |
| 822 | K | 94.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.6 | -43.8 | 175.6 | -66.3 | 169.9 | -167.4 | 175 | 0 | 111.6 | S818 D819 D820 M824 L825 L826 D861 E863 F867 | S818-K822 WeakPolarHBondContact O-CG 3.49Å; S818-K822 PolarHBondContact O-N 2.93Å; S818-K822 VanDerWaalsContact O-N 3.13Å; D819-K822 WeakPolarHBondContact O-CB 3.26Å; D819-K822 PolarHBondContact O-N 3.33Å; D819-K822 IonicContact OD1-NZ 2.77Å; D819-K822 PolarHBondContact OD1-NZ 3.36Å; D820-K822 VanDerWaalsContact C-N 3.31Å; D820-K822 PolarHBondContact O-N 3.43Å; K822-M824 VanDerWaalsContact C-N 3.32Å; K822-M824 PolarHBondContact O-N 3.37Å; K822-L825 WeakPolarHBondContact O-CB 3.26Å; K822-L825 PolarHBondContact O-N 2.96Å; K822-L826 PolarHBondContact O-N 2.78Å; K822-D861 WeakPolarHBondContact CE-OD2 3.34Å; K822-D861 IonicContact NZ-OD2 3.64Å; K822-E863 HydrophobicContact CD-CG 4.19Å; K822-E863 WeakPolarHBondContact CD-OE2 3.34Å; K822-E863 WeakPolarHBondContact CE-OE2 3.33Å; K822-E863 IonicContact NZ-OE2 3.99Å; K822-E863 PolarHBondContact NZ-OE2 3.3Å; K822-F867 HydrophobicContact CB-CD2 4.01Å; K822-F867 HydrophobicContact CB-CE2 4.05Å; K822-F867 HydrophobicContact CG-CD2 4.26Å; K822-F867 HydrophobicContact CG-CE2 4.38Å |
| 823 | S | 94.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 173.9 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | S767 D819 D820 L825 L826 I827 | S767-S823 WeakPolarHBondContact OG-CB 3.5Å; D819-S823 PolarHBondContact O-N 3.05Å; D819-S823 PolarHBondContact O-OG 3.34Å; D820-S823 PolarHBondContact O-N 3.21Å; S823-L825 PolarHBondContact O-N 3.04Å; S823-L826 PolarHBondContact O-N 2.61Å; S823-I827 WeakPolarHBondContact O-CD1 3.38Å; S823-I827 VanDerWaalsContact O-CG1 3.29Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 3.01Å |
| 824 | M | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 175.7 | -68.3 | -54.6 | 107.9 | 0 | 0 | 112 | L802 R805 F806 D820 K822 L826 I827 I828 | L802-M824 HydrophobicContact CD2-SD 3.69Å; R805-M824 HydrophobicContact CB-CG 4.37Å; R805-M824 HydrophobicContact CB-SD 4.24Å; R805-M824 HydrophobicContact CG-CG 4.11Å; R805-M824 HydrophobicContact CG-SD 4.11Å; F806-M824 HydrophobicContact CB-CB 3.85Å; F806-M824 HydrophobicContact CB-CG 4.45Å; F806-M824 HydrophobicContact CD2-CB 4.45Å; D820-M824 VanDerWaalsContact O-CG 3.29Å; D820-M824 WeakPolarHBondContact O-CG 3.38Å; D820-M824 PolarHBondContact O-N 3.14Å; K822-M824 VanDerWaalsContact C-N 3.32Å; K822-M824 PolarHBondContact O-N 3.37Å; M824-L826 VanDerWaalsContact C-N 3.34Å; M824-L826 PolarHBondContact O-N 3.08Å; M824-I827 HydrophobicContact CE-CD1 3.53Å; M824-I827 PolarHBondContact O-N 3.23Å; M824-I827 HydrophobicContact SD-CD1 4.28Å; M824-I828 VanDerWaalsContact O-CB 3.29Å; M824-I828 WeakPolarHBondContact O-CB 3.46Å; M824-I828 WeakPolarHBondContact O-CD1 3.36Å; M824-I828 WeakPolarHBondContact O-CG1 3.31Å; M824-I828 PolarHBondContact O-N 3.15Å |
| 825 | L | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.1 | -76.5 | 170.7 | 0 | 0 | 0 | 112.5 | F806 A821 K822 S823 I828 K829 L846 R864 F867 V871 | F806-L825 HydrophobicContact CD2-CD1 4.46Å; F806-L825 HydrophobicContact CD2-CD2 4.06Å; F806-L825 HydrophobicContact CD2-CG 3.8Å; F806-L825 HydrophobicContact CE1-CD2 4.18Å; F806-L825 HydrophobicContact CE2-CD1 3.68Å; F806-L825 HydrophobicContact CE2-CD2 3.6Å; F806-L825 HydrophobicContact CE2-CG 3.43Å; F806-L825 VanDerWaalsContact CE2-CG 3.43Å; F806-L825 HydrophobicContact CZ-CD1 4.21Å; F806-L825 HydrophobicContact CZ-CD2 3.66Å; F806-L825 HydrophobicContact CZ-CG 4.02Å; A821-L825 WeakPolarHBondContact O-CG 3.42Å; A821-L825 PolarHBondContact O-N 2.88Å; K822-L825 WeakPolarHBondContact O-CB 3.26Å; K822-L825 PolarHBondContact O-N 2.96Å; S823-L825 PolarHBondContact O-N 3.04Å; L825-I828 PolarHBondContact O-N 2.76Å; L825-K829 WeakPolarHBondContact O-CB 3.41Å; L825-K829 PolarHBondContact O-N 3.25Å; L825-L846 HydrophobicContact CD2-CD2 3.89Å; L825-R864 HydrophobicContact CD1-CG 3.83Å; L825-F867 HydrophobicContact CB-CB 3.95Å; L825-F867 HydrophobicContact CD1-CB 4.08Å; L825-V871 HydrophobicContact CD2-CG2 4.16Å; L825-V871 VanDerWaalsContact O-CG2 3.22Å; L825-V871 WeakPolarHBondContact O-CG2 3.34Å |
| 826 | L | 95.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.4 | -71.8 | 175.1 | 0 | 0 | 0 | 111.8 | I770 K822 S823 M824 K829 M830 F867 | I770-L826 HydrophobicContact CG2-CB 4.38Å; I770-L826 HydrophobicContact CG2-CD1 3.68Å; K822-L826 PolarHBondContact O-N 2.78Å; S823-L826 PolarHBondContact O-N 2.61Å; M824-L826 VanDerWaalsContact C-N 3.34Å; M824-L826 PolarHBondContact O-N 3.08Å; L826-K829 WeakPolarHBondContact O-CB 3.49Å; L826-K829 PolarHBondContact O-N 3.42Å; L826-M830 VanDerWaalsContact O-CG 3.32Å; L826-M830 WeakPolarHBondContact O-CG 3.19Å; L826-M830 PolarHBondContact O-N 2.83Å; L826-M830 VanDerWaalsContact O-N 3.16Å; L826-F867 HydrophobicContact CD1-CE2 4.07Å; L826-F867 HydrophobicContact CD1-CZ 4.09Å; L826-F867 HydrophobicContact CD2-CD1 3.73Å; L826-F867 HydrophobicContact CD2-CD2 4.36Å; L826-F867 HydrophobicContact CD2-CE1 3.78Å; L826-F867 HydrophobicContact CD2-CE2 4.4Å; L826-F867 HydrophobicContact CD2-CG 4.05Å; L826-F867 HydrophobicContact CD2-CZ 4.14Å; L826-F867 HydrophobicContact CG-CD1 4.43Å; L826-F867 HydrophobicContact CG-CD2 4.19Å; L826-F867 HydrophobicContact CG-CE1 4.44Å; L826-F867 HydrophobicContact CG-CE2 4.19Å; L826-F867 HydrophobicContact CG-CG 4.32Å; L826-F867 HydrophobicContact CG-CZ 4.34Å |
| 827 | I | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 174.5 | -65.8 | 158.6 | 0 | 0 | 0 | 110.2 | L766 I770 L802 S823 M824 K829 M830 I831 | L766-I827 HydrophobicContact CB-CD1 3.51Å; L766-I827 HydrophobicContact CB-CG1 4.24Å; L766-I827 HydrophobicContact CD1-CG2 4.24Å; I770-I827 HydrophobicContact CD1-CG1 4.43Å; I770-I827 HydrophobicContact CG1-CD1 4.28Å; I770-I827 HydrophobicContact CG1-CG1 3.98Å; L802-I827 HydrophobicContact CD1-CG2 3.93Å; L802-I827 HydrophobicContact CD2-CG2 4.2Å; S823-I827 WeakPolarHBondContact O-CD1 3.38Å; S823-I827 VanDerWaalsContact O-CG1 3.29Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 3.01Å; M824-I827 HydrophobicContact CE-CD1 3.53Å; M824-I827 PolarHBondContact O-N 3.23Å; M824-I827 HydrophobicContact SD-CD1 4.28Å; I827-K829 VanDerWaalsContact C-N 3.32Å; I827-K829 PolarHBondContact O-N 3.36Å; I827-M830 WeakPolarHBondContact O-CB 3.41Å; I827-M830 PolarHBondContact O-N 2.74Å; I827-I831 HydrophobicContact CG2-CD1 3.62Å; I827-I831 HydrophobicContact CG2-CG1 4.44Å; I827-I831 WeakPolarHBondContact O-CG1 3.49Å; I827-I831 PolarHBondContact O-N 3.31Å; I827-I831 VanDerWaalsContact O-N 3.1Å |
| 828 | I | 96 | Very high | 91 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 176.8 | -72.1 | 165.6 | 0 | 0 | 0 | 110.2 | W803 F806 M824 L825 M830 I831 V832 V871 | W803-I828 HydrophobicContact CD2-CD1 3.92Å; W803-I828 HydrophobicContact CE3-CD1 3.85Å; W803-I828 HydrophobicContact CG-CD1 4.47Å; W803-I828 HydrophobicContact CH2-CD1 4.45Å; W803-I828 HydrophobicContact CH2-CG2 3.65Å; W803-I828 HydrophobicContact CZ2-CG2 3.43Å; W803-I828 VanDerWaalsContact CZ2-CG2 3.43Å; W803-I828 HydrophobicContact CZ3-CD1 4.12Å; W803-I828 HydrophobicContact CZ3-CG2 4.35Å; F806-I828 HydrophobicContact CB-CD1 4.02Å; F806-I828 HydrophobicContact CG-CD1 4.36Å; M824-I828 VanDerWaalsContact O-CB 3.29Å; M824-I828 WeakPolarHBondContact O-CB 3.46Å; M824-I828 WeakPolarHBondContact O-CD1 3.36Å; M824-I828 WeakPolarHBondContact O-CG1 3.31Å; M824-I828 PolarHBondContact O-N 3.15Å; L825-I828 PolarHBondContact O-N 2.76Å; I828-M830 PolarHBondContact O-N 2.94Å; I828-I831 PolarHBondContact O-N 3.26Å; I828-V832 HydrophobicContact CG2-CG1 3.58Å; I828-V832 WeakPolarHBondContact O-CG1 3.27Å; I828-V832 WeakPolarHBondContact O-CG2 3.22Å; I828-V832 PolarHBondContact O-N 3.06Å; I828-V871 HydrophobicContact CG2-CG1 3.74Å; I828-V871 HydrophobicContact CG2-CG2 4.2Å |
| 829 | K | 94.5 | Very high | 90.9 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 19% | 0.191 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.1 | -36.7 | 175.1 | 173.4 | -164.7 | 169.5 | -177.7 | 0 | 112.3 | L825 L826 I827 E870 V871 R874 | L825-K829 WeakPolarHBondContact O-CB 3.41Å; L825-K829 PolarHBondContact O-N 3.25Å; L826-K829 WeakPolarHBondContact O-CB 3.49Å; L826-K829 PolarHBondContact O-N 3.42Å; I827-K829 VanDerWaalsContact C-N 3.32Å; I827-K829 PolarHBondContact O-N 3.36Å; K829-E870 HydrophobicContact CD-CB 4.06Å; K829-E870 WeakPolarHBondContact CD-OE2 3.37Å; K829-E870 WeakPolarHBondContact CE-OE2 3.33Å; K829-E870 IonicContact NZ-OE2 3.97Å; K829-E870 PolarHBondContact NZ-OE2 3.27Å; K829-V871 HydrophobicContact CB-CG2 3.82Å; K829-R874 HydrophobicContact CG-CG 4.31Å; K829-R874 PolarHBondContact O-NH1 3.22Å |
| 830 | M | 93.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.8 | -24.6 | 177.7 | -61.7 | 171.9 | -175.2 | 0 | 0 | 112.6 | I770 L778 M781 E782 I785 L826 I827 I828 | I770-M830 HydrophobicContact CD1-CE 4.02Å; L778-M830 HydrophobicContact CB-CE 4.16Å; L778-M830 HydrophobicContact CD2-CE 4.12Å; M781-M830 HydrophobicContact CG-SD 4.2Å; E782-M830 HydrophobicContact CB-CE 4.45Å; E782-M830 HydrophobicContact CB-CG 3.87Å; E782-M830 HydrophobicContact CB-SD 4.26Å; E782-M830 HydrophobicContact CG-CB 4.27Å; E782-M830 HydrophobicContact CG-CG 3.93Å; I785-M830 HydrophobicContact CB-CB 4.45Å; I785-M830 HydrophobicContact CD1-CB 4.08Å; I785-M830 HydrophobicContact CD1-SD 3.78Å; I785-M830 HydrophobicContact CG2-CB 4.17Å; L826-M830 VanDerWaalsContact O-CG 3.32Å; L826-M830 WeakPolarHBondContact O-CG 3.19Å; L826-M830 PolarHBondContact O-N 2.83Å; L826-M830 VanDerWaalsContact O-N 3.16Å; I827-M830 WeakPolarHBondContact O-CB 3.41Å; I827-M830 PolarHBondContact O-N 2.74Å; I828-M830 PolarHBondContact O-N 2.94Å |
| 831 | I | 91.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -93.9 | -42.3 | -176 | -65.6 | 169 | 0 | 0 | 0 | 113.3 | I785 I789 F794 I799 L802 I827 I828 | I785-I831 HydrophobicContact CG2-CG1 3.89Å; I789-I831 HydrophobicContact CD1-CB 4.11Å; I789-I831 HydrophobicContact CD1-CG1 4.12Å; I789-I831 HydrophobicContact CD1-CG2 4.03Å; F794-I831 HydrophobicContact CD1-CD1 4.02Å; F794-I831 HydrophobicContact CD1-CG1 4.38Å; F794-I831 HydrophobicContact CE1-CD1 3.73Å; F794-I831 HydrophobicContact CE1-CG1 4.13Å; I799-I831 HydrophobicContact CD1-CG2 4.37Å; I799-I831 HydrophobicContact CG1-CG2 4.21Å; L802-I831 HydrophobicContact CD1-CD1 3.35Å; I827-I831 HydrophobicContact CG2-CD1 3.62Å; I827-I831 HydrophobicContact CG2-CG1 4.44Å; I827-I831 WeakPolarHBondContact O-CG1 3.49Å; I827-I831 PolarHBondContact O-N 3.31Å; I827-I831 VanDerWaalsContact O-N 3.1Å; I828-I831 PolarHBondContact O-N 3.26Å |
| 832 | V | 91.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 43 Ų | 43 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | trans | -62.2 | 142.9 | -170.2 | -68.7 | 0 | 0 | 0 | 0 | 112 | W803 I828 V871 R874 M875 | W803-V832 HydrophobicContact CZ2-CG1 4.02Å; I828-V832 HydrophobicContact CG2-CG1 3.58Å; I828-V832 WeakPolarHBondContact O-CG1 3.27Å; I828-V832 WeakPolarHBondContact O-CG2 3.22Å; I828-V832 PolarHBondContact O-N 3.06Å; V832-V871 HydrophobicContact CG2-CG1 4.4Å; V832-R874 HydrophobicContact CG2-CB 3.8Å; V832-M875 HydrophobicContact CB-CG 3.95Å; V832-M875 HydrophobicContact CG1-CG 4.32Å; V832-M875 HydrophobicContact CG2-CG 3.94Å | ||
| 833 | K | 86.8 | Confident | 90.4 | Very high | 141 Ų | 141 | 42.5 Ų | 42.5 | 61% | 0.613 | 21% | 0.213 | S | C | * | . | trans | -105.1 | 153.4 | 177.2 | -62.9 | 179.7 | -177.6 | 175.6 | 0 | 110.2 | G835 | K833-G835 PolarHBondContact O-N 3.26Š| ||
| 834 | S | 84.7 | Confident | 90.4 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -65.3 | 128 | 172.7 | 62 | 0 | 0 | 0 | 0 | 110.8 | R874 V876 | S834-R874 WeakPolarHBondContact CA-O 3.33Å; S834-V876 WeakPolarHBondContact CB-O 3.31Å |
| 835 | G | 82.7 | Confident | 90.3 | Very high | 20 Ų | 20 | 47 Ų | 47 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | trans | 165.6 | 144.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K833 K837 E838 I839 M875 | K833-G835 PolarHBondContact O-N 3.26Å; G835-K837 VanDerWaalsContact C-N 3.27Å; G835-K837 PolarHBondContact O-N 3.46Å; G835-E838 WeakPolarHBondContact O-CB 3.25Å; G835-E838 PolarHBondContact O-N 2.89Å; G835-E838 VanDerWaalsContact O-N 3.1Å; G835-I839 PolarHBondContact O-N 3.27Å; G835-M875 PolarHBondContact N-O 3.1Å | ||
| 836 | A | 79.7 | Confident | 90.3 | Very high | 36 Ų | 36 | 47 Ų | 47 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -30.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E838 N840 P877 F894 | A836-E838 VanDerWaalsContact C-N 3.31Å; A836-N840 WeakPolarHBondContact O-CB 3.38Å; A836-N840 PolarHBondContact O-N 3.21Å; A836-N840 PolarHBondContact O-ND2 3.19Å; A836-N840 VanDerWaalsContact O-ND2 3.11Å; A836-P877 HydrophobicContact CB-CG 4.01Å; A836-F894 HydrophobicContact CB-CD2 3.77Å; A836-F894 HydrophobicContact CB-CE2 3.98Å; A836-F894 HydrophobicContact CB-CG 4.46Å |
| 837 | K | 85.3 | Confident | 90.2 | Very high | 188 Ų | 188 | 46.6 Ų | 46.6 | 82% | 0.817 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.9 | -40.5 | 175.5 | -68.5 | -175.9 | 179.6 | -179.9 | 0 | 111.7 | G835 N840 R841 | G835-K837 VanDerWaalsContact C-N 3.27Å; G835-K837 PolarHBondContact O-N 3.46Å; K837-N840 PolarHBondContact O-N 3.46Å; K837-R841 WeakPolarHBondContact O-CB 3.45Å; K837-R841 PolarHBondContact O-N 2.95Å |
| 838 | E | 84.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.6 | -46.9 | -178.4 | -165.6 | 53.1 | -153.4 | 0 | 0 | 110.4 | G835 A836 N840 R841 H842 M875 | G835-E838 WeakPolarHBondContact O-CB 3.25Å; G835-E838 PolarHBondContact O-N 2.89Å; G835-E838 VanDerWaalsContact O-N 3.1Å; A836-E838 VanDerWaalsContact C-N 3.31Å; E838-N840 PolarHBondContact O-N 3.2Å; E838-R841 PolarHBondContact O-N 3.45Å; E838-H842 PolarHBondContact O-N 3.39Å; E838-H842 VanDerWaalsContact O-N 3.11Å; E838-H842 IonicContact OE1-CD2 3.88Å; E838-H842 PolarHBondContact OE1-CD2 3.11Å; E838-H842 IonicContact OE1-NE2 2.89Å; E838-M875 HydrophobicContact CB-CE 4.22Å; E838-M875 HydrophobicContact CG-CE 3.69Å; E838-M875 HydrophobicContact CG-CG 4.2Å; E838-M875 WeakPolarHBondContact O-CE 3.15Å |
| 839 | I | 86.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -52.3 | 172.8 | -68.2 | -171.3 | 0 | 0 | 0 | 110.8 | G835 R841 H842 L843 M875 F894 L936 | G835-I839 PolarHBondContact O-N 3.27Å; I839-R841 PolarHBondContact O-N 3.35Å; I839-R841 VanDerWaalsContact O-N 3.14Å; I839-H842 PolarHBondContact O-N 2.99Å; I839-L843 HydrophobicContact CG2-CB 4.06Å; I839-L843 HydrophobicContact CG2-CD2 4.04Å; I839-L843 WeakPolarHBondContact O-CB 3.42Å; I839-L843 PolarHBondContact O-N 3.4Å; I839-M875 HydrophobicContact CD1-CB 4.2Å; I839-M875 WeakPolarHBondContact CD1-O 3.39Å; I839-M875 HydrophobicContact CG1-CB 3.53Å; I839-M875 HydrophobicContact CG1-CE 4.36Å; I839-M875 WeakPolarHBondContact CG1-O 3.03Å; I839-F894 HydrophobicContact CD1-CD1 4.39Å; I839-F894 HydrophobicContact CD1-CE1 4.23Å; I839-F894 HydrophobicContact CG2-CE1 3.87Å; I839-F894 HydrophobicContact CG2-CZ 4.08Å; I839-L936 HydrophobicContact CD1-CD2 4.11Å |
| 840 | N | 87.4 | Confident | 89.8 | Confident | 110 Ų | 110 | 52.3 Ų | 52.3 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.7 | -26.6 | -177.1 | -71.6 | -26.3 | 0 | 0 | 0 | 112.9 | A836 K837 E838 | A836-N840 WeakPolarHBondContact O-CB 3.38Å; A836-N840 PolarHBondContact O-N 3.21Å; A836-N840 PolarHBondContact O-ND2 3.19Å; A836-N840 VanDerWaalsContact O-ND2 3.11Å; K837-N840 PolarHBondContact O-N 3.46Å; E838-N840 PolarHBondContact O-N 3.2Å |
| 841 | R | 89.2 | Confident | 89.8 | Confident | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77.8 | -42.1 | 178.6 | -172.9 | 178.9 | 178.3 | -166.1 | -2.2 | 112.6 | D800 K837 E838 I839 | D800-R841 IonicContact OD1-CZ 3.19Å; D800-R841 IonicContact OD1-NH1 3.24Å; D800-R841 IonicContact OD1-NH2 2.75Å; D800-R841 PolarHBondContact OD1-NH2 3.42Å; D800-R841 IonicContact OD2-NH2 2.66Å; K837-R841 WeakPolarHBondContact O-CB 3.45Å; K837-R841 PolarHBondContact O-N 2.95Å; E838-R841 PolarHBondContact O-N 3.45Å; I839-R841 PolarHBondContact O-N 3.35Å; I839-R841 VanDerWaalsContact O-N 3.14Å |
| 842 | H | 93.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -116.4 | -7.7 | -167.6 | -66.3 | -73.8 | 0 | 0 | 0 | 115.7 | W803 E838 I839 D844 T845 L846 M875 | W803-H842 AromaticContact CD1-CE1 3.47Å; W803-H842 VanDerWaalsContact CD1-CE1 3.47Å; W803-H842 AromaticContact CD1-NE2 3.91Å; W803-H842 AromaticContact CD2-CE1 3.56Å; W803-H842 AromaticContact CD2-ND1 3.37Å; W803-H842 AromaticContact CE2-CD2 3.83Å; W803-H842 AromaticContact CE2-CE1 3.5Å; W803-H842 AromaticContact CE2-CG 3.63Å; W803-H842 AromaticContact CE2-ND1 3.42Å; W803-H842 AromaticContact CE2-NE2 3.8Å; W803-H842 AromaticContact CE3-ND1 3.65Å; W803-H842 AromaticContact CG-CE1 3.56Å; W803-H842 AromaticContact CG-ND1 3.84Å; W803-H842 HydrophobicContact CH2-CB 3.56Å; W803-H842 AromaticContact CH2-CG 3.77Å; W803-H842 HydrophobicContact CZ2-CB 3.75Å; W803-H842 AromaticContact CZ2-CD2 3.8Å; W803-H842 AromaticContact CZ2-CG 3.49Å; W803-H842 VanDerWaalsContact CZ2-CG 3.49Å; W803-H842 AromaticContact CZ2-ND1 3.76Å; W803-H842 HydrophobicContact CZ3-CB 3.98Å; W803-H842 AromaticContact CZ3-ND1 3.97Å; W803-H842 AromaticContact NE1-CD2 3.95Å; W803-H842 AromaticContact NE1-CE1 3.42Å; W803-H842 PolarHBondContact NE1-CE1 3.2Å; W803-H842 AromaticContact NE1-ND1 3.85Å; W803-H842 AromaticContact NE1-NE2 3.52Å; E838-H842 PolarHBondContact O-N 3.39Å; E838-H842 VanDerWaalsContact O-N 3.11Å; E838-H842 IonicContact OE1-CD2 3.88Å; E838-H842 PolarHBondContact OE1-CD2 3.11Å; E838-H842 IonicContact OE1-NE2 2.89Å; I839-H842 PolarHBondContact O-N 2.99Å; H842-D844 VanDerWaalsContact C-N 3.29Å; H842-D844 PolarHBondContact O-N 2.91Å; H842-T845 WeakPolarHBondContact O-CB 3.47Å; H842-T845 PolarHBondContact O-N 3.33Å; H842-T845 VanDerWaalsContact O-N 3.14Å; H842-L846 PolarHBondContact O-N 3.39Å; H842-M875 HydrophobicContact CB-CE 3.86Å |
| 843 | L | 93.5 | Very high | 88.8 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55 | -44.4 | -177.8 | 174.9 | 60.6 | 0 | 0 | 0 | 112.6 | I839 L846 I847 L872 L896 L902 | I839-L843 HydrophobicContact CG2-CB 4.06Å; I839-L843 HydrophobicContact CG2-CD2 4.04Å; I839-L843 WeakPolarHBondContact O-CB 3.42Å; I839-L843 PolarHBondContact O-N 3.4Å; L843-L846 PolarHBondContact O-N 3.21Å; L843-I847 HydrophobicContact CD1-CD1 3.96Å; L843-I847 HydrophobicContact CD1-CG1 4.29Å; L843-I847 HydrophobicContact CG-CD1 3.9Å; L843-I847 VanDerWaalsContact O-CG1 3.25Å; L843-I847 WeakPolarHBondContact O-CG1 3.45Å; L843-I847 PolarHBondContact O-N 3.13Å; L843-L872 HydrophobicContact CD1-CD2 3.64Å; L843-L896 HydrophobicContact CD2-CD1 3.84Å; L843-L902 HydrophobicContact CD1-CD1 4.45Å; L843-L902 HydrophobicContact CD1-CD2 4.18Å |
| 844 | D | 94 | Very high | 88.1 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | -179.1 | -178.9 | 54.6 | 0 | 0 | 0 | 112.1 | H842 I847 R848 | H842-D844 VanDerWaalsContact C-N 3.29Å; H842-D844 PolarHBondContact O-N 2.91Å; D844-I847 PolarHBondContact O-N 3.35Å; D844-R848 VanDerWaalsContact CG-NH1 3.34Å; D844-R848 WeakPolarHBondContact O-CG 3.43Å; D844-R848 PolarHBondContact O-N 3.44Å; D844-R848 IonicContact OD1-CZ 3.99Å; D844-R848 IonicContact OD1-NE 3.54Å; D844-R848 IonicContact OD1-NH1 3.98Å; D844-R848 IonicContact OD1-NH2 2.74Å; D844-R848 PolarHBondContact OD1-NH2 3.42Å; D844-R848 IonicContact OD2-CZ 2.75Å; D844-R848 IonicContact OD2-NE 2.68Å; D844-R848 IonicContact OD2-NH1 3.86Å; D844-R848 PolarHBondContact OD2-NH1 2.68Å; D844-R848 IonicContact OD2-NH2 3.13Å; D844-R848 PolarHBondContact OD2-NH2 2.98Å |
| 845 | T | 94.5 | Very high | 87.4 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | W803 F806 I807 H842 I847 R848 H849 | W803-T845 HydrophobicContact CE3-CG2 4.31Å; W803-T845 HydrophobicContact CZ3-CG2 4.45Å; F806-T845 HydrophobicContact CD1-CG2 4.43Å; F806-T845 HydrophobicContact CE1-CG2 4.38Å; I807-T845 HydrophobicContact CD1-CG2 3.69Å; I807-T845 HydrophobicContact CG1-CG2 3.55Å; H842-T845 WeakPolarHBondContact O-CB 3.47Å; H842-T845 PolarHBondContact O-N 3.33Å; H842-T845 VanDerWaalsContact O-N 3.14Å; T845-I847 VanDerWaalsContact C-N 3.34Å; T845-I847 PolarHBondContact O-N 3Å; T845-R848 PolarHBondContact O-N 3.2Å; T845-H849 WeakPolarHBondContact O-CB 3.47Å; T845-H849 PolarHBondContact O-CD2 3.38Å; T845-H849 PolarHBondContact O-N 2.76Å |
| 846 | L | 96.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -65.7 | -36.3 | 179.3 | -69.9 | 169.1 | 0 | 0 | 0 | 112.1 | W803 F806 L825 H842 L843 G850 L851 T868 V871 L872 M875 | W803-L846 HydrophobicContact CH2-CD1 4.12Å; W803-L846 HydrophobicContact CH2-CD2 3.96Å; W803-L846 HydrophobicContact CH2-CG 4.06Å; W803-L846 HydrophobicContact CZ3-CD2 3.79Å; W803-L846 HydrophobicContact CZ3-CG 4.01Å; F806-L846 HydrophobicContact CE1-CD2 4.31Å; L825-L846 HydrophobicContact CD2-CD2 3.89Å; H842-L846 PolarHBondContact O-N 3.39Å; L843-L846 PolarHBondContact O-N 3.21Å; L846-G850 WeakPolarHBondContact O-CA 3.49Å; L846-G850 PolarHBondContact O-N 3.1Å; L846-L851 PolarHBondContact O-N 3.06Å; L846-L851 VanDerWaalsContact O-N 3.17Å; L846-T868 HydrophobicContact CB-CG2 3.89Å; L846-T868 HydrophobicContact CD2-CG2 4.06Å; L846-V871 HydrophobicContact CD1-CG1 3.92Å; L846-V871 HydrophobicContact CD2-CG1 4.16Å; L846-L872 HydrophobicContact CB-CD2 4.44Å; L846-L872 HydrophobicContact CD1-CD2 3.47Å; L846-L872 VanDerWaalsContact CD1-CD2 3.47Å; L846-L872 HydrophobicContact CD1-CG 3.88Å; L846-M875 HydrophobicContact CD1-SD 3.87Å |
| 847 | I | 94.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -65.3 | -52.6 | 175.2 | -67.3 | 164.1 | 0 | 0 | 0 | 110.6 | L843 D844 T845 L851 E852 V901 L902 | L843-I847 HydrophobicContact CD1-CD1 3.96Å; L843-I847 HydrophobicContact CD1-CG1 4.29Å; L843-I847 HydrophobicContact CG-CD1 3.9Å; L843-I847 VanDerWaalsContact O-CG1 3.25Å; L843-I847 WeakPolarHBondContact O-CG1 3.45Å; L843-I847 PolarHBondContact O-N 3.13Å; D844-I847 PolarHBondContact O-N 3.35Å; T845-I847 VanDerWaalsContact C-N 3.34Å; T845-I847 PolarHBondContact O-N 3Å; I847-L851 HydrophobicContact CG1-CD1 4.4Å; I847-L851 WeakPolarHBondContact O-CB 3.33Å; I847-L851 PolarHBondContact O-N 3.43Å; I847-E852 PolarHBondContact O-N 3.26Å; I847-E852 VanDerWaalsContact O-N 3.08Å; I847-V901 HydrophobicContact CG2-CG1 4.1Å; I847-L902 HydrophobicContact CD1-CB 3.94Å; I847-L902 HydrophobicContact CD1-CD1 4.32Å; I847-L902 HydrophobicContact CG1-CB 4.39Å; I847-L902 HydrophobicContact CG1-CD1 3.91Å |
| 848 | R | 92.1 | Very high | 86 | Confident | 126 Ų | 126 | 55.1 Ų | 55.1 | 48% | 0.475 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -69.7 | -41.2 | -175.6 | -68.1 | -165.7 | -160.8 | 106.7 | 6.4 | 113.7 | D844 T845 E852 | D844-R848 VanDerWaalsContact CG-NH1 3.34Å; D844-R848 WeakPolarHBondContact O-CG 3.43Å; D844-R848 PolarHBondContact O-N 3.44Å; D844-R848 IonicContact OD1-CZ 3.99Å; D844-R848 IonicContact OD1-NE 3.54Å; D844-R848 IonicContact OD1-NH1 3.98Å; D844-R848 IonicContact OD1-NH2 2.74Å; D844-R848 PolarHBondContact OD1-NH2 3.42Å; D844-R848 IonicContact OD2-CZ 2.75Å; D844-R848 IonicContact OD2-NE 2.68Å; D844-R848 IonicContact OD2-NH1 3.86Å; D844-R848 PolarHBondContact OD2-NH1 2.68Å; D844-R848 IonicContact OD2-NH2 3.13Å; D844-R848 PolarHBondContact OD2-NH2 2.98Å; T845-R848 PolarHBondContact O-N 3.2Å; R848-E852 WeakPolarHBondContact O-CB 3.34Å |
| 849 | H | 92.7 | Very high | 85.8 | Confident | 42 Ų | 42 | 58 Ų | 58 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -101.3 | -28.1 | -172.7 | -63.5 | -73.2 | 0 | 0 | 0 | 112.9 | F806 A810 T845 | F806-H849 HydrophobicContact CE1-CB 3.89Å; F806-H849 HydrophobicContact CZ-CB 4.01Å; A810-H849 HydrophobicContact CB-CB 3.84Å; T845-H849 WeakPolarHBondContact O-CB 3.47Å; T845-H849 PolarHBondContact O-CD2 3.38Å; T845-H849 PolarHBondContact O-N 2.76Å |
| 850 | G | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -87.9 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L846 R864 T868 | L846-G850 WeakPolarHBondContact O-CA 3.49Å; L846-G850 PolarHBondContact O-N 3.1Å; G850-R864 PolarHBondContact O-NE 2.97Å; G850-T868 VanDerWaalsContact CA-OG1 3.3Å; G850-T868 WeakPolarHBondContact CA-OG1 3.3Å |
| 851 | L | 93.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -99.8 | -27.9 | -171.2 | -53.6 | -178 | 0 | 0 | 0 | 114.4 | L846 I847 V865 T868 L902 R905 L906 I909 | L846-L851 PolarHBondContact O-N 3.06Å; L846-L851 VanDerWaalsContact O-N 3.17Å; I847-L851 HydrophobicContact CG1-CD1 4.4Å; I847-L851 WeakPolarHBondContact O-CB 3.33Å; I847-L851 PolarHBondContact O-N 3.43Å; L851-V865 HydrophobicContact CD2-CB 4.34Å; L851-V865 HydrophobicContact CD2-CG1 3.91Å; L851-V865 HydrophobicContact CD2-CG2 4.23Å; L851-T868 HydrophobicContact CD2-CG2 3.7Å; L851-T868 HydrophobicContact CG-CG2 3.95Å; L851-L902 HydrophobicContact CD1-CD1 3.63Å; L851-R905 HydrophobicContact CB-CG 3.81Å; L851-R905 HydrophobicContact CD1-CG 4.47Å; L851-R905 VanDerWaalsContact O-CZ 3.26Å; L851-R905 PolarHBondContact O-NE 3.38Å; L851-R905 PolarHBondContact O-NH2 2.88Å; L851-L906 HydrophobicContact CD1-CD2 4.03Å; L851-L906 HydrophobicContact CD1-CG 4.45Å; L851-L906 HydrophobicContact CD2-CD2 4.24Å; L851-I909 HydrophobicContact CB-CD1 4.16Å |
| 852 | E | 85.1 | Confident | 86.1 | Confident | 101 Ų | 101 | 49.7 Ų | 49.7 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -80.1 | 137.2 | -179.8 | -155.3 | 164.3 | -176.3 | 0 | 0 | 111 | I847 R848 R864 | I847-E852 PolarHBondContact O-N 3.26Å; I847-E852 VanDerWaalsContact O-N 3.08Å; R848-E852 WeakPolarHBondContact O-CB 3.34Å; E852-R864 PolarHBondContact O-NH2 3.39Å |
| 853 | P | 77.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | trans | -74.8 | 144.3 | 171 | 19.1 | -0.9 | 0 | 0 | 0 | 108.3 | D855 | P853-D855 VanDerWaalsContact C-N 3.3Å; P853-D855 PolarHBondContact O-N 3.22Å | ||
| 854 | L | 71.4 | Confident | 86 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -63.3 | -40.8 | -178.4 | -169.4 | 70.5 | 0 | 0 | 0 | 111.8 | T813 | T813-L854 HydrophobicContact CG2-CD2 3.44Å; T813-L854 VanDerWaalsContact CG2-CD2 3.44Å |
| 855 | D | 71.6 | Confident | 86.1 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -130.2 | 144.9 | 169.5 | -179.1 | 11.2 | 0 | 0 | 0 | 109 | P853 S857 C858 | P853-D855 VanDerWaalsContact C-N 3.3Å; P853-D855 PolarHBondContact O-N 3.22Å; D855-S857 VanDerWaalsContact CG-OG 3.27Å; D855-S857 PolarHBondContact O-N 2.62Å; D855-S857 PolarHBondContact OD1-N 2.91Å; D855-S857 WeakPolarHBondContact OD2-CB 3.4Å; D855-S857 PolarHBondContact OD2-OG 3.32Å; D855-C858 WeakPolarHBondContact O-CB 3.41Å; D855-C858 PolarHBondContact O-N 2.85Å |
| 856 | S | 70.6 | Confident | 86.2 | Confident | 117 Ų | 117 | 50.1 Ų | 50.1 | 82% | 0.818 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -23.6 | 168.8 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 857 | S | 74 | Confident | 86.2 | Confident | 90 Ų | 90 | 51 Ų | 51 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -23.6 | 175.6 | 73.1 | 0 | 0 | 0 | 0 | 114.1 | D855 | D855-S857 VanDerWaalsContact CG-OG 3.27Å; D855-S857 PolarHBondContact O-N 2.62Å; D855-S857 PolarHBondContact OD1-N 2.91Å; D855-S857 WeakPolarHBondContact OD2-CB 3.4Å; D855-S857 PolarHBondContact OD2-OG 3.32Å |
| 858 | C | 73.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -79.3 | 138.8 | -177 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | D855 | D855-C858 WeakPolarHBondContact O-CB 3.41Å; D855-C858 PolarHBondContact O-N 2.85Å |
| 859 | P | 80.1 | Confident | 86.6 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 70% | 0.695 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 149.1 | 171.9 | 28.6 | -33.8 | 0 | 0 | 0 | 110.3 | D861 | P859-D861 PolarHBondContact O-N 2.94Š|
| 860 | I | 86.4 | Confident | 86.7 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 120.7 | 176.3 | -61.3 | 165.1 | 0 | 0 | 0 | 108.3 | L862 V865 I909 T913 | I860-L862 HydrophobicContact CG2-CD2 4.25Å; I860-L862 PolarHBondContact O-N 2.96Å; I860-V865 HydrophobicContact CG2-CG2 3.95Å; I860-I909 HydrophobicContact CD1-CG1 4.24Å; I860-I909 HydrophobicContact CG2-CG1 4.48Å; I860-I909 HydrophobicContact CG2-CG2 4.17Å; I860-T913 HydrophobicContact CB-CG2 4.28Å; I860-T913 HydrophobicContact CD1-CG2 3.86Å |
| 861 | D | 89.5 | Confident | 87 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | trans | -71.8 | 105 | 171.8 | -172.6 | -31.4 | 0 | 0 | 0 | 110 | S818 K822 P859 E863 R864 V865 | S818-D861 PolarHBondContact OG-OD2 3.33Å; K822-D861 WeakPolarHBondContact CE-OD2 3.34Å; K822-D861 IonicContact NZ-OD2 3.64Å; P859-D861 PolarHBondContact O-N 2.94Å; D861-E863 VanDerWaalsContact C-N 3.3Å; D861-E863 PolarHBondContact O-N 2.99Å; D861-E863 WeakPolarHBondContact OD1-CB 3.45Å; D861-E863 PolarHBondContact OD1-N 3.25Å; D861-R864 HydrophobicContact CB-CB 3.97Å; D861-R864 PolarHBondContact OD1-N 3.06Å; D861-V865 VanDerWaalsContact O-CG2 3.31Å; D861-V865 WeakPolarHBondContact O-CG2 3.48Å; D861-V865 PolarHBondContact O-N 3.38Å | ||
| 862 | L | 92.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -29.6 | -177.6 | -59.6 | -167.4 | 0 | 0 | 0 | 113 | I860 K866 T913 Q919 L921 W922 M925 | I860-L862 HydrophobicContact CG2-CD2 4.25Å; I860-L862 PolarHBondContact O-N 2.96Å; L862-K866 WeakPolarHBondContact O-CB 3.37Å; L862-K866 PolarHBondContact O-N 2.92Å; L862-T913 HydrophobicContact CD2-CG2 3.86Å; L862-Q919 HydrophobicContact CD1-CB 3.77Å; L862-Q919 HydrophobicContact CD1-CG 3.97Å; L862-L921 HydrophobicContact CB-CB 4.3Å; L862-W922 HydrophobicContact CD1-CB 4.16Å; L862-M925 HydrophobicContact CB-CG 4.5Å; L862-M925 HydrophobicContact CD2-CE 4Å |
| 863 | E | 92.2 | Very high | 87.5 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72 | -45.6 | -179.8 | -175 | 170.9 | -141.3 | 0 | 0 | 110.4 | K822 D861 V865 K866 F867 L921 | K822-E863 HydrophobicContact CD-CG 4.19Å; K822-E863 WeakPolarHBondContact CD-OE2 3.34Å; K822-E863 WeakPolarHBondContact CE-OE2 3.33Å; K822-E863 IonicContact NZ-OE2 3.99Å; K822-E863 PolarHBondContact NZ-OE2 3.3Å; D861-E863 VanDerWaalsContact C-N 3.3Å; D861-E863 PolarHBondContact O-N 2.99Å; D861-E863 WeakPolarHBondContact OD1-CB 3.45Å; D861-E863 PolarHBondContact OD1-N 3.25Å; E863-V865 VanDerWaalsContact C-N 3.29Å; E863-V865 PolarHBondContact O-N 3.01Å; E863-K866 WeakPolarHBondContact O-CB 3.43Å; E863-K866 PolarHBondContact O-N 2.93Å; E863-K866 VanDerWaalsContact O-N 3.16Å; E863-F867 HydrophobicContact CG-CD2 4.03Å; E863-F867 HydrophobicContact CG-CE1 4.5Å; E863-F867 HydrophobicContact CG-CE2 3.41Å; E863-F867 VanDerWaalsContact CG-CE2 3.41Å; E863-F867 HydrophobicContact CG-CZ 3.68Å; E863-F867 WeakPolarHBondContact O-CG 3.39Å; E863-F867 PolarHBondContact O-N 2.86Å; E863-L921 HydrophobicContact CB-CD1 3.91Å; E863-L921 HydrophobicContact CG-CD1 4.47Å |
| 864 | R | 93.4 | Very high | 88.2 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.2 | -169.2 | 176.9 | 71 | 178 | 5.6 | 111.8 | L825 G850 E852 D861 F867 T868 | L825-R864 HydrophobicContact CD1-CG 3.83Å; G850-R864 PolarHBondContact O-NE 2.97Å; E852-R864 PolarHBondContact O-NH2 3.39Å; D861-R864 HydrophobicContact CB-CB 3.97Å; D861-R864 PolarHBondContact OD1-N 3.06Å; R864-F867 PolarHBondContact O-N 3.34Å; R864-T868 VanDerWaalsContact O-CB 3.32Å; R864-T868 WeakPolarHBondContact O-CB 3.28Å; R864-T868 PolarHBondContact O-N 3.29Å; R864-T868 PolarHBondContact O-OG1 2.87Å |
| 865 | V | 95.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L851 I860 D861 E863 T868 C869 I909 M925 | L851-V865 HydrophobicContact CD2-CB 4.34Å; L851-V865 HydrophobicContact CD2-CG1 3.91Å; L851-V865 HydrophobicContact CD2-CG2 4.23Å; I860-V865 HydrophobicContact CG2-CG2 3.95Å; D861-V865 VanDerWaalsContact O-CG2 3.31Å; D861-V865 WeakPolarHBondContact O-CG2 3.48Å; D861-V865 PolarHBondContact O-N 3.38Å; E863-V865 VanDerWaalsContact C-N 3.29Å; E863-V865 PolarHBondContact O-N 3.01Å; V865-T868 PolarHBondContact O-N 3.46Å; V865-C869 PolarHBondContact O-N 2.95Å; V865-C869 PolarHBondContact O-SG 3.29Å; V865-I909 HydrophobicContact CG1-CD1 4.31Å; V865-I909 HydrophobicContact CG1-CG2 4.43Å; V865-I909 HydrophobicContact CG2-CD1 4.07Å; V865-M925 HydrophobicContact CB-CG 4.11Å; V865-M925 HydrophobicContact CG1-CG 3.71Å; V865-M925 HydrophobicContact CG1-SD 3.9Å |
| 866 | K | 96.5 | Very high | 90.1 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -53.8 | 175.9 | 176.5 | -161.7 | 156 | -169.4 | 0 | 110.7 | L862 E863 T868 C869 E870 P924 M925 Q928 | L862-K866 WeakPolarHBondContact O-CB 3.37Å; L862-K866 PolarHBondContact O-N 2.92Å; E863-K866 WeakPolarHBondContact O-CB 3.43Å; E863-K866 PolarHBondContact O-N 2.93Å; E863-K866 VanDerWaalsContact O-N 3.16Å; K866-T868 VanDerWaalsContact C-N 3.33Å; K866-T868 PolarHBondContact O-N 2.87Å; K866-C869 WeakPolarHBondContact O-CB 3.25Å; K866-C869 PolarHBondContact O-N 3.32Å; K866-C869 VanDerWaalsContact O-N 3.09Å; K866-E870 WeakPolarHBondContact CE-OE1 3.38Å; K866-E870 IonicContact NZ-OE1 3.3Å; K866-E870 PolarHBondContact O-N 2.84Å; K866-P924 HydrophobicContact CD-CB 4.36Å; K866-M925 HydrophobicContact CB-CB 4.28Å; K866-Q928 HydrophobicContact CG-CG 4.07Å |
| 867 | F | 95.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -37.5 | -179.5 | -62.1 | -28.9 | 0 | 0 | 0 | 112.6 | K822 L825 L826 E863 R864 C869 E870 V871 | K822-F867 HydrophobicContact CB-CD2 4.01Å; K822-F867 HydrophobicContact CB-CE2 4.05Å; K822-F867 HydrophobicContact CG-CD2 4.26Å; K822-F867 HydrophobicContact CG-CE2 4.38Å; L825-F867 HydrophobicContact CB-CB 3.95Å; L825-F867 HydrophobicContact CD1-CB 4.08Å; L826-F867 HydrophobicContact CD1-CE2 4.07Å; L826-F867 HydrophobicContact CD1-CZ 4.09Å; L826-F867 HydrophobicContact CD2-CD1 3.73Å; L826-F867 HydrophobicContact CD2-CD2 4.36Å; L826-F867 HydrophobicContact CD2-CE1 3.78Å; L826-F867 HydrophobicContact CD2-CE2 4.4Å; L826-F867 HydrophobicContact CD2-CG 4.05Å; L826-F867 HydrophobicContact CD2-CZ 4.14Å; L826-F867 HydrophobicContact CG-CD1 4.43Å; L826-F867 HydrophobicContact CG-CD2 4.19Å; L826-F867 HydrophobicContact CG-CE1 4.44Å; L826-F867 HydrophobicContact CG-CE2 4.19Å; L826-F867 HydrophobicContact CG-CG 4.32Å; L826-F867 HydrophobicContact CG-CZ 4.34Å; E863-F867 HydrophobicContact CG-CD2 4.03Å; E863-F867 HydrophobicContact CG-CE1 4.5Å; E863-F867 HydrophobicContact CG-CE2 3.41Å; E863-F867 VanDerWaalsContact CG-CE2 3.41Å; E863-F867 HydrophobicContact CG-CZ 3.68Å; E863-F867 WeakPolarHBondContact O-CG 3.39Å; E863-F867 PolarHBondContact O-N 2.86Å; R864-F867 PolarHBondContact O-N 3.34Å; F867-C869 VanDerWaalsContact C-N 3.3Å; F867-C869 PolarHBondContact O-N 2.99Å; F867-E870 PolarHBondContact O-N 3.03Å; F867-E870 VanDerWaalsContact O-N 3.15Å; F867-V871 WeakPolarHBondContact O-CG2 3.35Å; F867-V871 PolarHBondContact O-N 3.44Å |
| 868 | T | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 172.6 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | L846 G850 L851 R864 V865 K866 V871 L872 | L846-T868 HydrophobicContact CB-CG2 3.89Å; L846-T868 HydrophobicContact CD2-CG2 4.06Å; G850-T868 VanDerWaalsContact CA-OG1 3.3Å; G850-T868 WeakPolarHBondContact CA-OG1 3.3Å; L851-T868 HydrophobicContact CD2-CG2 3.7Å; L851-T868 HydrophobicContact CG-CG2 3.95Å; R864-T868 VanDerWaalsContact O-CB 3.32Å; R864-T868 WeakPolarHBondContact O-CB 3.28Å; R864-T868 PolarHBondContact O-N 3.29Å; R864-T868 PolarHBondContact O-OG1 2.87Å; V865-T868 PolarHBondContact O-N 3.46Å; K866-T868 VanDerWaalsContact C-N 3.33Å; K866-T868 PolarHBondContact O-N 2.87Å; T868-V871 PolarHBondContact O-N 3.32Å; T868-L872 WeakPolarHBondContact O-CG 3.42Å; T868-L872 PolarHBondContact O-N 2.94Å |
| 869 | C | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.4 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | V865 K866 F867 V871 L872 G873 Q928 I932 | V865-C869 PolarHBondContact O-N 2.95Å; V865-C869 PolarHBondContact O-SG 3.29Å; K866-C869 WeakPolarHBondContact O-CB 3.25Å; K866-C869 PolarHBondContact O-N 3.32Å; K866-C869 VanDerWaalsContact O-N 3.09Å; F867-C869 VanDerWaalsContact C-N 3.3Å; F867-C869 PolarHBondContact O-N 2.99Å; C869-V871 PolarHBondContact O-N 3.24Å; C869-L872 PolarHBondContact O-N 3.47Å; C869-G873 PolarHBondContact O-N 3.27Å; C869-Q928 HydrophobicContact CB-CB 3.77Å; C869-I932 HydrophobicContact CB-CG1 3.89Å; C869-I932 VanDerWaalsContact O-CD1 3.27Å; C869-I932 WeakPolarHBondContact O-CD1 3.42Å |
| 870 | E | 95.5 | Very high | 88.6 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.1 | -69.2 | -178.6 | -172 | 0 | 0 | 112.6 | K829 K866 F867 G873 R874 Q928 | K829-E870 HydrophobicContact CD-CB 4.06Å; K829-E870 WeakPolarHBondContact CD-OE2 3.37Å; K829-E870 WeakPolarHBondContact CE-OE2 3.33Å; K829-E870 IonicContact NZ-OE2 3.97Å; K829-E870 PolarHBondContact NZ-OE2 3.27Å; K866-E870 WeakPolarHBondContact CE-OE1 3.38Å; K866-E870 IonicContact NZ-OE1 3.3Å; K866-E870 PolarHBondContact O-N 2.84Å; F867-E870 PolarHBondContact O-N 3.03Å; F867-E870 VanDerWaalsContact O-N 3.15Å; E870-G873 PolarHBondContact O-N 3.07Å; E870-R874 PolarHBondContact O-N 2.91Å; E870-R874 VanDerWaalsContact O-N 3.16Å; E870-Q928 HydrophobicContact CG-CG 4.1Å |
| 871 | V | 96.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | W803 L825 I828 K829 V832 L846 F867 T868 C869 G873 R874 M875 | W803-V871 HydrophobicContact CH2-CG1 4.37Å; L825-V871 HydrophobicContact CD2-CG2 4.16Å; L825-V871 VanDerWaalsContact O-CG2 3.22Å; L825-V871 WeakPolarHBondContact O-CG2 3.34Å; I828-V871 HydrophobicContact CG2-CG1 3.74Å; I828-V871 HydrophobicContact CG2-CG2 4.2Å; K829-V871 HydrophobicContact CB-CG2 3.82Å; V832-V871 HydrophobicContact CG2-CG1 4.4Å; L846-V871 HydrophobicContact CD1-CG1 3.92Å; L846-V871 HydrophobicContact CD2-CG1 4.16Å; F867-V871 WeakPolarHBondContact O-CG2 3.35Å; F867-V871 PolarHBondContact O-N 3.44Å; T868-V871 PolarHBondContact O-N 3.32Å; C869-V871 PolarHBondContact O-N 3.24Å; V871-G873 VanDerWaalsContact C-N 3.25Å; V871-G873 PolarHBondContact O-N 3.1Å; V871-R874 PolarHBondContact O-N 3.37Å; V871-R874 VanDerWaalsContact O-N 3.15Å; V871-M875 HydrophobicContact CG1-SD 3.8Å; V871-M875 WeakPolarHBondContact O-CG 3.38Å; V871-M875 PolarHBondContact O-N 3.08Å |
| 872 | L | 96 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 177.3 | -74.3 | 172.9 | 0 | 0 | 0 | 111.7 | L843 L846 T868 C869 R874 M875 V876 L902 I932 | L843-L872 HydrophobicContact CD1-CD2 3.64Å; L846-L872 HydrophobicContact CB-CD2 4.44Å; L846-L872 HydrophobicContact CD1-CD2 3.47Å; L846-L872 VanDerWaalsContact CD1-CD2 3.47Å; L846-L872 HydrophobicContact CD1-CG 3.88Å; T868-L872 WeakPolarHBondContact O-CG 3.42Å; T868-L872 PolarHBondContact O-N 2.94Å; C869-L872 PolarHBondContact O-N 3.47Å; L872-R874 VanDerWaalsContact C-N 3.3Å; L872-R874 PolarHBondContact O-N 3.13Å; L872-M875 PolarHBondContact O-N 3.46Å; L872-M875 VanDerWaalsContact O-N 3.12Å; L872-V876 WeakPolarHBondContact O-CG2 3.4Å; L872-V876 PolarHBondContact O-N 2.71Å; L872-L902 HydrophobicContact CD1-CD1 3.93Å; L872-I932 HydrophobicContact CB-CD1 3.97Å; L872-I932 HydrophobicContact CB-CG1 4.3Å; L872-I932 HydrophobicContact CB-CG2 4.38Å; L872-I932 HydrophobicContact CD1-CG2 4.23Å |
| 873 | G | 93.5 | Very high | 82.1 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C869 E870 V871 V876 I932 | C869-G873 PolarHBondContact O-N 3.27Å; E870-G873 PolarHBondContact O-N 3.07Å; V871-G873 VanDerWaalsContact C-N 3.25Å; V871-G873 PolarHBondContact O-N 3.1Å; G873-V876 WeakPolarHBondContact O-CG2 3.33Å; G873-V876 PolarHBondContact O-N 3.25Å; G873-I932 VanDerWaalsContact N-CD1 3.26Å |
| 874 | R | 91.6 | Very high | 79.6 | Confident | 95 Ų | 95 | 53 Ų | 53 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.4 | -29.7 | 175.1 | -78.2 | -74.7 | 176.3 | 80.3 | -5.5 | 113.9 | E782 K829 V832 S834 E870 V871 L872 V876 | E782-R874 IonicContact OE1-CZ 3.63Å; E782-R874 IonicContact OE1-NH1 3.39Å; E782-R874 PolarHBondContact OE1-NH1 3.4Å; E782-R874 IonicContact OE1-NH2 3.31Å; E782-R874 PolarHBondContact OE1-NH2 2.95Å; E782-R874 IonicContact OE2-NH1 3.09Å; E782-R874 IonicContact OE2-NH2 2.59Å; K829-R874 HydrophobicContact CG-CG 4.31Å; K829-R874 PolarHBondContact O-NH1 3.22Å; V832-R874 HydrophobicContact CG2-CB 3.8Å; S834-R874 WeakPolarHBondContact CA-O 3.33Å; E870-R874 PolarHBondContact O-N 2.91Å; E870-R874 VanDerWaalsContact O-N 3.16Å; V871-R874 PolarHBondContact O-N 3.37Å; V871-R874 VanDerWaalsContact O-N 3.15Å; L872-R874 VanDerWaalsContact C-N 3.3Å; L872-R874 PolarHBondContact O-N 3.13Å; R874-V876 VanDerWaalsContact C-N 3.33Å |
| 875 | M | 93.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.4 | -16.5 | 180 | -61.4 | 164 | 76.3 | 0 | 0 | 112.8 | V832 G835 E838 I839 H842 L846 V871 L872 | V832-M875 HydrophobicContact CB-CG 3.95Å; V832-M875 HydrophobicContact CG1-CG 4.32Å; V832-M875 HydrophobicContact CG2-CG 3.94Å; G835-M875 PolarHBondContact N-O 3.1Å; E838-M875 HydrophobicContact CB-CE 4.22Å; E838-M875 HydrophobicContact CG-CE 3.69Å; E838-M875 HydrophobicContact CG-CG 4.2Å; E838-M875 WeakPolarHBondContact O-CE 3.15Å; I839-M875 HydrophobicContact CD1-CB 4.2Å; I839-M875 WeakPolarHBondContact CD1-O 3.39Å; I839-M875 HydrophobicContact CG1-CB 3.53Å; I839-M875 HydrophobicContact CG1-CE 4.36Å; I839-M875 WeakPolarHBondContact CG1-O 3.03Å; H842-M875 HydrophobicContact CB-CE 3.86Å; L846-M875 HydrophobicContact CD1-SD 3.87Å; V871-M875 HydrophobicContact CG1-SD 3.8Å; V871-M875 WeakPolarHBondContact O-CG 3.38Å; V871-M875 PolarHBondContact O-N 3.08Å; L872-M875 PolarHBondContact O-N 3.46Å; L872-M875 VanDerWaalsContact O-N 3.12Å |
| 876 | V | 89.4 | Confident | 75 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -52.3 | 123.6 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | S834 L872 G873 R874 S878 D935 L936 | S834-V876 WeakPolarHBondContact CB-O 3.31Å; L872-V876 WeakPolarHBondContact O-CG2 3.4Å; L872-V876 PolarHBondContact O-N 2.71Å; G873-V876 WeakPolarHBondContact O-CG2 3.33Å; G873-V876 PolarHBondContact O-N 3.25Å; R874-V876 VanDerWaalsContact C-N 3.33Å; V876-S878 PolarHBondContact O-N 3.5Å; V876-D935 HydrophobicContact CG1-CB 4.28Å; V876-D935 HydrophobicContact CG2-CB 4.08Å; V876-L936 HydrophobicContact CG2-CD2 4.23Å; V876-L936 HydrophobicContact CG2-CG 4.46Å |
| 877 | P | 82.7 | Confident | 72.7 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.7 | -178.8 | -20.4 | 33.1 | 0 | 0 | 0 | 110.9 | A836 F894 | A836-P877 HydrophobicContact CB-CG 4.01Å; P877-F894 HydrophobicContact CB-CB 4.48Å; P877-F894 HydrophobicContact CG-CB 3.79Å; P877-F894 HydrophobicContact CG-CD1 4.41Å; P877-F894 HydrophobicContact CG-CG 4.07Å |
| 878 | S | 69.4 | Low | 70.6 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 137.1 | 171.6 | 175 | 0 | 0 | 0 | 0 | 110.7 | V876 K880 | V876-S878 PolarHBondContact O-N 3.5Å; S878-K880 VanDerWaalsContact C-N 3.27Å; S878-K880 PolarHBondContact OG-N 2.95Å; S878-K880 VanDerWaalsContact OG-N 3.11Å; S878-K880 PolarHBondContact OG-O 3.28Å; S878-K880 VanDerWaalsContact OG-O 3.04Å |
| 879 | T | 61.3 | Low | 68.7 | Low | 82 Ų | 82 | 71 Ų | 71 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -73 | -22 | 171.5 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | S881 S888 | T879-S881 PolarHBondContact O-N 3.45Å; T879-S888 PolarHBondContact O-OG 2.9Å |
| 880 | K | 54.9 | Low | 66.9 | Low | 170 Ų | 170 | 73.5 Ų | 73.5 | 74% | 0.739 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -87.8 | 99.5 | 172.9 | -60 | -178.6 | -179.6 | -178.2 | 0 | 108.2 | S878 | S878-K880 VanDerWaalsContact C-N 3.27Å; S878-K880 PolarHBondContact OG-N 2.95Å; S878-K880 VanDerWaalsContact OG-N 3.11Å; S878-K880 PolarHBondContact OG-O 3.28Å; S878-K880 VanDerWaalsContact OG-O 3.04Å |
| 881 | S | 45.7 | Very low | 65.7 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 37% | 0.371 | 44% | 0.436 | S | S | . | . | trans | -89.1 | 126.4 | 171.6 | 76.4 | 0 | 0 | 0 | 0 | 109.8 | T879 K883 S888 | T879-S881 PolarHBondContact O-N 3.45Å; S881-K883 VanDerWaalsContact C-N 3.33Å; S881-K883 PolarHBondContact O-N 3.3Å; S881-K883 VanDerWaalsContact O-N 3.17Å; S881-S888 WeakPolarHBondContact OG-CB 3.4Å | ||
| 882 | D | 43.2 | Very low | 64.8 | Low | 158 Ų | 158 | 84.9 Ų | 84.9 | 85% | 0.845 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.8 | -168.6 | -75.9 | -38.4 | 0 | 0 | 0 | 117.4 | ||
| 883 | K | 42.6 | Very low | 64 | Low | 203 Ų | 203 | 86.6 Ų | 86.6 | 88% | 0.883 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.3 | 24.3 | -166.9 | -69.1 | -168.8 | 179.1 | 176 | 0 | 118.4 | S881 | S881-K883 VanDerWaalsContact C-N 3.33Å; S881-K883 PolarHBondContact O-N 3.3Å; S881-K883 VanDerWaalsContact O-N 3.17Å |
| 884 | S | 40.2 | Very low | 63.7 | Low | 71 Ų | 71 | 87.6 Ų | 87.6 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | trans | -143.8 | 117.6 | 174.6 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 885 | G | 43.3 | Very low | 63.7 | Low | 67 Ų | 67 | 85.9 Ų | 85.9 | 69% | 0.691 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 151.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K887 | G885-K887 PolarHBondContact O-N 3.12Š|
| 886 | D | 47.7 | Very low | 63.6 | Low | 157 Ų | 157 | 86.8 Ų | 86.8 | 84% | 0.84 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | -10.7 | 169 | -77.4 | -6.5 | 0 | 0 | 0 | 120.7 | S889 | D886-S889 PolarHBondContact O-OG 3.05Š|
| 887 | K | 49.7 | Very low | 63.8 | Low | 156 Ų | 156 | 88 Ų | 88 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -12 | -173.3 | -67.1 | -173.9 | -178.8 | 175.8 | 0 | 114.2 | G885 S889 L890 | G885-K887 PolarHBondContact O-N 3.12Å; K887-S889 VanDerWaalsContact C-N 3.29Å; K887-S889 PolarHBondContact O-N 3.25Å; K887-L890 PolarHBondContact O-N 3.02Å |
| 888 | S | 51.4 | Low | 64.2 | Low | 28 Ų | 28 | 88.2 Ų | 88.2 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -65.9 | -36.3 | 176.2 | 117.1 | 0 | 0 | 0 | 0 | 111.7 | T879 S881 L890 L891 | T879-S888 PolarHBondContact O-OG 2.9Å; S881-S888 WeakPolarHBondContact OG-CB 3.4Å; S888-L890 PolarHBondContact O-N 3.37Å; S888-L891 PolarHBondContact O-N 2.99Å; S888-L891 VanDerWaalsContact O-N 3.17Å |
| 889 | S | 56.7 | Low | 65.3 | Low | 59 Ų | 59 | 91.1 Ų | 91.1 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -60.8 | -15 | 176.4 | 51 | 0 | 0 | 0 | 0 | 113.6 | D886 K887 R1053 | D886-S889 PolarHBondContact O-OG 3.05Å; K887-S889 VanDerWaalsContact C-N 3.29Å; K887-S889 PolarHBondContact O-N 3.25Å; S889-R1053 VanDerWaalsContact O-CG 3.26Å; S889-R1053 WeakPolarHBondContact O-CG 3.38Å |
| 890 | L | 60.1 | Low | 66.9 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 27% | 0.272 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -95.7 | -11.7 | -178.9 | -60.7 | 172.7 | 0 | 0 | 0 | 113.7 | K887 S888 K892 R1053 L1056 I1057 | K887-L890 PolarHBondContact O-N 3.02Å; S888-L890 PolarHBondContact O-N 3.37Å; L890-K892 PolarHBondContact O-N 2.99Å; L890-R1053 PolarHBondContact O-NH1 3.47Å; L890-L1056 HydrophobicContact CD2-CB 3.96Å; L890-I1057 HydrophobicContact CD2-CG1 3.64Å |
| 891 | L | 69.8 | Low | 68.8 | Low | 122 Ų | 122 | 86.1 Ų | 86.1 | 64% | 0.639 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -71.2 | 128.8 | -176.2 | -67.6 | 177.6 | 0 | 0 | 0 | 111.3 | S888 R1053 | S888-L891 PolarHBondContact O-N 2.99Å; S888-L891 VanDerWaalsContact O-N 3.17Å; L891-R1053 WeakPolarHBondContact O-CD 3.35Å |
| 892 | K | 77.7 | Confident | 71.2 | Confident | 142 Ų | 142 | 83.6 Ų | 83.6 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 130.9 | 175.1 | -170.9 | -176.6 | 177.4 | -169.4 | 0 | 109 | L890 | L890-K892 PolarHBondContact O-N 2.99Š|
| 893 | P | 80.6 | Confident | 73.7 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 140.6 | 173.8 | -26 | 34 | 0 | 0 | 0 | 111.7 | R895 E1050 | P893-R895 HydrophobicContact CB-CG 4.38Å; P893-R895 PolarHBondContact O-N 3.24Å; P893-E1050 VanDerWaalsContact CD-OE2 3.23Å; P893-E1050 WeakPolarHBondContact CD-OE2 3.45Å |
| 894 | F | 86.9 | Confident | 76.2 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | trans | -73.5 | 110 | 176.7 | -176.3 | -89.2 | 0 | 0 | 0 | 109.5 | A836 I839 P877 L896 L936 | A836-F894 HydrophobicContact CB-CD2 3.77Å; A836-F894 HydrophobicContact CB-CE2 3.98Å; A836-F894 HydrophobicContact CB-CG 4.46Å; I839-F894 HydrophobicContact CD1-CD1 4.39Å; I839-F894 HydrophobicContact CD1-CE1 4.23Å; I839-F894 HydrophobicContact CG2-CE1 3.87Å; I839-F894 HydrophobicContact CG2-CZ 4.08Å; P877-F894 HydrophobicContact CB-CB 4.48Å; P877-F894 HydrophobicContact CG-CB 3.79Å; P877-F894 HydrophobicContact CG-CD1 4.41Å; P877-F894 HydrophobicContact CG-CG 4.07Å; F894-L896 HydrophobicContact CE1-CD2 4.07Å; F894-L896 HydrophobicContact CE1-CG 4.34Å; F894-L896 HydrophobicContact CZ-CD2 4.15Å; F894-L936 HydrophobicContact CD1-CD2 4.01Å; F894-L936 HydrophobicContact CE1-CD2 4.3Å | ||
| 895 | R | 90.4 | Very high | 78.8 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | trans | -131.8 | 148.1 | -179.3 | -60.7 | -63.9 | -175.8 | 149.7 | -20.1 | 110.5 | P893 Y934 D935 L936 A937 E938 | P893-R895 HydrophobicContact CB-CG 4.38Å; P893-R895 PolarHBondContact O-N 3.24Å; R895-Y934 PolarHBondContact NH1-O 2.9Å; R895-Y934 PolarHBondContact NH2-O 3.36Å; R895-D935 WeakPolarHBondContact CD-O 3.29Å; R895-D935 PolarHBondContact NE-O 3.41Å; R895-D935 PolarHBondContact NH1-O 2.98Å; R895-D935 PolarHBondContact NH2-O 3.31Å; R895-L936 CarbonylContact C-O 3.6Å; R895-L936 VanDerWaalsContact CA-O 3.27Å; R895-L936 WeakPolarHBondContact CA-O 3.25Å; R895-A937 WeakPolarHBondContact CD-O 3.47Å; R895-A937 PolarHBondContact NH1-O 3.37Å; R895-E938 HydrophobicContact CB-CG 3.68Å | ||
| 896 | L | 92.7 | Very high | 81.3 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -107.2 | 146.6 | 178.1 | -61.1 | 176.5 | 0 | 0 | 0 | 109.8 | L843 F894 H900 L902 F903 L936 E938 | L843-L896 HydrophobicContact CD2-CD1 3.84Å; F894-L896 HydrophobicContact CE1-CD2 4.07Å; F894-L896 HydrophobicContact CE1-CG 4.34Å; F894-L896 HydrophobicContact CZ-CD2 4.15Å; L896-H900 HydrophobicContact CB-CB 4.33Å; L896-L902 HydrophobicContact CD1-CD2 4.31Å; L896-F903 HydrophobicContact CB-CE2 3.83Å; L896-F903 HydrophobicContact CB-CZ 4.01Å; L896-F903 HydrophobicContact CD1-CZ 4.37Å; L896-L936 HydrophobicContact CD1-CB 4.42Å; L896-L936 HydrophobicContact CD1-CD1 4.44Å; L896-L936 PolarHBondContact N-O 3.05Å; L896-E938 WeakPolarHBondContact O-CG 3.48Å; L896-E938 PolarHBondContact O-N 3.16Å |
| 897 | P | 93.7 | Very high | 83.6 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | trans | -54.7 | 142.6 | 175.1 | -27.4 | 36.3 | 0 | 0 | 0 | 112.6 | N899 H900 F903 | P897-N899 WeakPolarHBondContact CB-OD1 3.46Å; P897-N899 PolarHBondContact O-N 2.91Å; P897-H900 WeakPolarHBondContact O-CB 3.31Å; P897-H900 PolarHBondContact O-N 3.2Å; P897-F903 WeakPolarHBondContact O-CD2 3.42Å; P897-F903 WeakPolarHBondContact O-CE2 3.49Å | ||
| 898 | T | 90.6 | Very high | 85.7 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 23% | 0.233 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.3 | -178.3 | -48.3 | 0 | 0 | 0 | 0 | 113.7 | S942 I943 | T898-S942 WeakPolarHBondContact CG2-OG 3.24Å; T898-I943 HydrophobicContact CG2-CD1 3.69Å; T898-I943 HydrophobicContact CG2-CG1 3.64Å |
| 899 | N | 91.4 | Very high | 87.7 | Confident | 131 Ų | 131 | 54.2 Ų | 54.2 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.4 | 176.5 | 66.2 | -20.8 | 0 | 0 | 0 | 114.1 | P897 | P897-N899 WeakPolarHBondContact CB-OD1 3.46Å; P897-N899 PolarHBondContact O-N 2.91Å |
| 900 | H | 95.6 | Very high | 89.5 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | trans | -58.8 | 147.8 | 178.8 | -168.1 | -93 | 0 | 0 | 0 | 111.9 | L896 P897 L902 F903 T904 | L896-H900 HydrophobicContact CB-CB 4.33Å; P897-H900 WeakPolarHBondContact O-CB 3.31Å; P897-H900 PolarHBondContact O-N 3.2Å; H900-L902 VanDerWaalsContact ND1-CB 3.31Å; H900-L902 WeakPolarHBondContact ND1-CB 3.2Å; H900-L902 PolarHBondContact ND1-N 3.48Å; H900-L902 VanDerWaalsContact ND1-N 3.19Å; H900-L902 PolarHBondContact O-N 3.39Å; H900-F903 HydrophobicContact CB-CD2 3.94Å; H900-F903 HydrophobicContact CB-CE2 4.06Å; H900-F903 PolarHBondContact O-N 2.86Å; H900-F903 VanDerWaalsContact O-N 3.16Å; H900-T904 PolarHBondContact O-N 3.21Å; H900-T904 PolarHBondContact O-OG1 3.11Å | ||
| 901 | V | 94.6 | Very high | 91.1 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.1 | -37.9 | -176.7 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | I847 F903 T904 R905 | I847-V901 HydrophobicContact CG2-CG1 4.1Å; V901-F903 PolarHBondContact O-N 2.82Å; V901-T904 PolarHBondContact O-N 2.91Å; V901-R905 WeakPolarHBondContact O-CB 3.4Å; V901-R905 PolarHBondContact O-N 3.2Å |
| 902 | L | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -49.4 | -56.2 | 174.6 | -180 | 65.2 | 0 | 0 | 0 | 112.3 | L843 I847 L851 L872 L896 H900 R905 L906 I932 L936 | L843-L902 HydrophobicContact CD1-CD1 4.45Å; L843-L902 HydrophobicContact CD1-CD2 4.18Å; I847-L902 HydrophobicContact CD1-CB 3.94Å; I847-L902 HydrophobicContact CD1-CD1 4.32Å; I847-L902 HydrophobicContact CG1-CB 4.39Å; I847-L902 HydrophobicContact CG1-CD1 3.91Å; L851-L902 HydrophobicContact CD1-CD1 3.63Å; L872-L902 HydrophobicContact CD1-CD1 3.93Å; L896-L902 HydrophobicContact CD1-CD2 4.31Å; H900-L902 VanDerWaalsContact ND1-CB 3.31Å; H900-L902 WeakPolarHBondContact ND1-CB 3.2Å; H900-L902 PolarHBondContact ND1-N 3.48Å; H900-L902 VanDerWaalsContact ND1-N 3.19Å; H900-L902 PolarHBondContact O-N 3.39Å; L902-R905 PolarHBondContact O-N 3.02Å; L902-L906 HydrophobicContact CD1-CD1 4.26Å; L902-L906 HydrophobicContact CD1-CG 4.46Å; L902-L906 HydrophobicContact CG-CD1 4.27Å; L902-L906 WeakPolarHBondContact O-CG 3.42Å; L902-L906 PolarHBondContact O-N 3.36Å; L902-I932 HydrophobicContact CD2-CG2 4.15Å; L902-L936 HydrophobicContact CD2-CD1 3.88Å |
| 903 | F | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.5 | -33.5 | -175.7 | -51.3 | -48.1 | 0 | 0 | 0 | 111.9 | L896 P897 H900 V901 R905 K907 I933 L936 A937 I943 | L896-F903 HydrophobicContact CB-CE2 3.83Å; L896-F903 HydrophobicContact CB-CZ 4.01Å; L896-F903 HydrophobicContact CD1-CZ 4.37Å; P897-F903 WeakPolarHBondContact O-CD2 3.42Å; P897-F903 WeakPolarHBondContact O-CE2 3.49Å; H900-F903 HydrophobicContact CB-CD2 3.94Å; H900-F903 HydrophobicContact CB-CE2 4.06Å; H900-F903 PolarHBondContact O-N 2.86Å; H900-F903 VanDerWaalsContact O-N 3.16Å; V901-F903 PolarHBondContact O-N 2.82Å; F903-R905 VanDerWaalsContact C-N 3.27Å; F903-R905 PolarHBondContact O-N 3.15Å; F903-K907 WeakPolarHBondContact O-CB 3.38Å; F903-K907 WeakPolarHBondContact O-CE 3.28Å; F903-K907 VanDerWaalsContact O-CG 3.27Å; F903-K907 WeakPolarHBondContact O-CG 3.42Å; F903-K907 PolarHBondContact O-N 3.37Å; F903-I933 HydrophobicContact CD1-CB 4.45Å; F903-I933 HydrophobicContact CD1-CG1 3.94Å; F903-I933 HydrophobicContact CD1-CG2 4.39Å; F903-I933 HydrophobicContact CE1-CG1 4.48Å; F903-L936 HydrophobicContact CE1-CB 4.09Å; F903-L936 HydrophobicContact CZ-CB 3.83Å; F903-A937 HydrophobicContact CD1-CB 4.47Å; F903-A937 HydrophobicContact CD2-CB 4.26Å; F903-A937 HydrophobicContact CE1-CB 3.98Å; F903-A937 HydrophobicContact CE2-CB 3.74Å; F903-A937 VanDerWaalsContact CZ-CA 3.43Å; F903-A937 HydrophobicContact CZ-CB 3.6Å; F903-I943 HydrophobicContact CB-CD1 3.88Å; F903-I943 HydrophobicContact CD2-CD1 4.17Å; F903-I943 HydrophobicContact CG-CD1 3.94Å |
| 904 | T | 94.4 | Very high | 93.3 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -44 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | H900 V901 T908 | H900-T904 PolarHBondContact O-N 3.21Å; H900-T904 PolarHBondContact O-OG1 3.11Å; V901-T904 PolarHBondContact O-N 2.91Å; T904-T908 PolarHBondContact O-N 3.11Å; T904-T908 VanDerWaalsContact O-N 3.11Å; T904-T908 PolarHBondContact O-OG1 3Å |
| 905 | R | 94 | Very high | 93.4 | Very high | 45 Ų | 45 | 38 Ų | 38 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -48.1 | 179.3 | -173.9 | 64.3 | -167.2 | 152 | 12.7 | 112.5 | L851 V901 L902 F903 K907 T908 I909 | L851-R905 HydrophobicContact CB-CG 3.81Å; L851-R905 HydrophobicContact CD1-CG 4.47Å; L851-R905 VanDerWaalsContact O-CZ 3.26Å; L851-R905 PolarHBondContact O-NE 3.38Å; L851-R905 PolarHBondContact O-NH2 2.88Å; V901-R905 WeakPolarHBondContact O-CB 3.4Å; V901-R905 PolarHBondContact O-N 3.2Å; L902-R905 PolarHBondContact O-N 3.02Å; F903-R905 VanDerWaalsContact C-N 3.27Å; F903-R905 PolarHBondContact O-N 3.15Å; R905-K907 VanDerWaalsContact C-N 3.33Å; R905-K907 PolarHBondContact O-N 3.15Å; R905-T908 WeakPolarHBondContact O-CB 3.25Å; R905-T908 PolarHBondContact O-N 3.49Å; R905-T908 VanDerWaalsContact O-N 3.13Å; R905-I909 HydrophobicContact CG-CD1 3.92Å; R905-I909 HydrophobicContact CG-CG1 4.49Å; R905-I909 WeakPolarHBondContact O-CG1 3.33Å; R905-I909 PolarHBondContact O-N 3.39Å |
| 906 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 178 | -68.6 | 178.3 | 0 | 0 | 0 | 111.7 | L851 L902 T908 I909 L910 A929 I932 I933 | L851-L906 HydrophobicContact CD1-CD2 4.03Å; L851-L906 HydrophobicContact CD1-CG 4.45Å; L851-L906 HydrophobicContact CD2-CD2 4.24Å; L902-L906 HydrophobicContact CD1-CD1 4.26Å; L902-L906 HydrophobicContact CD1-CG 4.46Å; L902-L906 HydrophobicContact CG-CD1 4.27Å; L902-L906 WeakPolarHBondContact O-CG 3.42Å; L902-L906 PolarHBondContact O-N 3.36Å; L906-T908 PolarHBondContact O-N 3.14Å; L906-I909 PolarHBondContact O-N 3.38Å; L906-L910 WeakPolarHBondContact O-CB 3.28Å; L906-L910 WeakPolarHBondContact O-CD1 3.06Å; L906-L910 VanDerWaalsContact O-CG 3.24Å; L906-L910 WeakPolarHBondContact O-CG 3.5Å; L906-L910 PolarHBondContact O-N 3.21Å; L906-A929 HydrophobicContact CD2-CB 4.1Å; L906-I932 HydrophobicContact CD1-CG2 4.41Å; L906-I933 HydrophobicContact CB-CD1 4.18Å; L906-I933 HydrophobicContact CD1-CD1 4.27Å; L906-I933 HydrophobicContact CD1-CG1 3.86Å |
| 907 | K | 95.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -50.4 | 172.1 | -77.5 | -176 | -64.4 | -176 | 0 | 111.6 | F903 R905 I909 L910 I911 I943 Y946 | F903-K907 WeakPolarHBondContact O-CB 3.38Å; F903-K907 WeakPolarHBondContact O-CE 3.28Å; F903-K907 VanDerWaalsContact O-CG 3.27Å; F903-K907 WeakPolarHBondContact O-CG 3.42Å; F903-K907 PolarHBondContact O-N 3.37Å; R905-K907 VanDerWaalsContact C-N 3.33Å; R905-K907 PolarHBondContact O-N 3.15Å; K907-I909 VanDerWaalsContact C-N 3.31Å; K907-I909 PolarHBondContact O-N 3.36Å; K907-L910 PolarHBondContact O-N 2.89Å; K907-I911 WeakPolarHBondContact O-CB 3.46Å; K907-I911 WeakPolarHBondContact O-CD1 3.5Å; K907-I911 VanDerWaalsContact O-CG1 3.25Å; K907-I911 WeakPolarHBondContact O-CG1 3.38Å; K907-I911 PolarHBondContact O-N 2.95Å; K907-I943 HydrophobicContact CD-CG2 3.92Å; K907-I943 HydrophobicContact CG-CG2 3.81Å; K907-Y946 HydrophobicContact CD-CD1 3.76Å; K907-Y946 HydrophobicContact CD-CE1 4.15Å |
| 908 | T | 93.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 46 Ų | 46 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | T904 R905 L906 S912 | T904-T908 PolarHBondContact O-N 3.11Å; T904-T908 VanDerWaalsContact O-N 3.11Å; T904-T908 PolarHBondContact O-OG1 3Å; R905-T908 WeakPolarHBondContact O-CB 3.25Å; R905-T908 PolarHBondContact O-N 3.49Å; R905-T908 VanDerWaalsContact O-N 3.13Å; L906-T908 PolarHBondContact O-N 3.14Å; T908-S912 WeakPolarHBondContact O-CB 3.37Å; T908-S912 PolarHBondContact O-N 3.01Å; T908-S912 PolarHBondContact O-OG 3.32Å |
| 909 | I | 94.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -51.5 | 178.9 | -67.7 | 165 | 0 | 0 | 0 | 109.7 | L851 I860 V865 R905 L906 K907 I911 S912 T913 M925 | L851-I909 HydrophobicContact CB-CD1 4.16Å; I860-I909 HydrophobicContact CD1-CG1 4.24Å; I860-I909 HydrophobicContact CG2-CG1 4.48Å; I860-I909 HydrophobicContact CG2-CG2 4.17Å; V865-I909 HydrophobicContact CG1-CD1 4.31Å; V865-I909 HydrophobicContact CG1-CG2 4.43Å; V865-I909 HydrophobicContact CG2-CD1 4.07Å; R905-I909 HydrophobicContact CG-CD1 3.92Å; R905-I909 HydrophobicContact CG-CG1 4.49Å; R905-I909 WeakPolarHBondContact O-CG1 3.33Å; R905-I909 PolarHBondContact O-N 3.39Å; L906-I909 PolarHBondContact O-N 3.38Å; K907-I909 VanDerWaalsContact C-N 3.31Å; K907-I909 PolarHBondContact O-N 3.36Å; I909-I911 VanDerWaalsContact C-N 3.35Å; I909-I911 PolarHBondContact O-N 3.07Å; I909-S912 PolarHBondContact O-N 3.33Å; I909-S912 PolarHBondContact O-OG 3.11Å; I909-T913 HydrophobicContact CG2-CG2 4.29Å; I909-T913 WeakPolarHBondContact O-CB 3.46Å; I909-T913 VanDerWaalsContact O-CG2 3.25Å; I909-T913 WeakPolarHBondContact O-CG2 3.26Å; I909-T913 PolarHBondContact O-N 3.41Å; I909-T913 PolarHBondContact O-OG1 2.96Å; I909-M925 HydrophobicContact CG2-CE 4.11Å; I909-M925 HydrophobicContact CG2-SD 4.25Å |
| 910 | L | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | -177.4 | -69.3 | 165.4 | 0 | 0 | 0 | 111.4 | L906 K907 V914 M925 M926 A929 I930 I933 L947 | L906-L910 WeakPolarHBondContact O-CB 3.28Å; L906-L910 WeakPolarHBondContact O-CD1 3.06Å; L906-L910 VanDerWaalsContact O-CG 3.24Å; L906-L910 WeakPolarHBondContact O-CG 3.5Å; L906-L910 PolarHBondContact O-N 3.21Å; K907-L910 PolarHBondContact O-N 2.89Å; L910-V914 WeakPolarHBondContact O-CB 3.45Å; L910-V914 PolarHBondContact O-N 2.86Å; L910-M925 HydrophobicContact CD2-CE 3.97Å; L910-M925 HydrophobicContact CD2-SD 3.97Å; L910-M926 HydrophobicContact CD2-CB 3.79Å; L910-M926 HydrophobicContact CD2-CG 3.86Å; L910-A929 HydrophobicContact CD1-CB 4.29Å; L910-A929 HydrophobicContact CD2-CB 4.33Å; L910-I930 HydrophobicContact CD1-CG1 4.49Å; L910-I933 HydrophobicContact CD1-CD1 4.47Å; L910-L947 HydrophobicContact CB-CD1 3.77Å; L910-L947 HydrophobicContact CB-CD2 4.48Å; L910-L947 HydrophobicContact CD1-CD1 4.43Å; L910-L947 HydrophobicContact CD1-CD2 3.75Å |
| 911 | I | 93.7 | Very high | 90.6 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.2 | -38.7 | -179.1 | -63.5 | 165.6 | 0 | 0 | 0 | 112.3 | K907 I909 V914 Y946 L947 | K907-I911 WeakPolarHBondContact O-CB 3.46Å; K907-I911 WeakPolarHBondContact O-CD1 3.5Å; K907-I911 VanDerWaalsContact O-CG1 3.25Å; K907-I911 WeakPolarHBondContact O-CG1 3.38Å; K907-I911 PolarHBondContact O-N 2.95Å; I909-I911 VanDerWaalsContact C-N 3.35Å; I909-I911 PolarHBondContact O-N 3.07Å; I911-V914 WeakPolarHBondContact O-CG1 3.25Å; I911-Y946 HydrophobicContact CD1-CD1 4.16Å; I911-Y946 HydrophobicContact CD1-CE1 3.59Å; I911-L947 HydrophobicContact CD1-CD1 4.16Å; I911-L947 HydrophobicContact CG1-CD1 3.53Å |
| 912 | S | 90.1 | Very high | 90.7 | Very high | 54 Ų | 54 | 43 Ų | 43 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.1 | -30.7 | -177.8 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | T908 I909 | T908-S912 WeakPolarHBondContact O-CB 3.37Å; T908-S912 PolarHBondContact O-N 3.01Å; T908-S912 PolarHBondContact O-OG 3.32Å; I909-S912 PolarHBondContact O-N 3.33Å; I909-S912 PolarHBondContact O-OG 3.11Å |
| 913 | T | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -92.6 | -20.1 | -174.6 | 60.9 | 0 | 0 | 0 | 0 | 114 | I860 L862 I909 S915 Q916 W922 | I860-T913 HydrophobicContact CB-CG2 4.28Å; I860-T913 HydrophobicContact CD1-CG2 3.86Å; L862-T913 HydrophobicContact CD2-CG2 3.86Å; I909-T913 HydrophobicContact CG2-CG2 4.29Å; I909-T913 WeakPolarHBondContact O-CB 3.46Å; I909-T913 VanDerWaalsContact O-CG2 3.25Å; I909-T913 WeakPolarHBondContact O-CG2 3.26Å; I909-T913 PolarHBondContact O-N 3.41Å; I909-T913 PolarHBondContact O-OG1 2.96Å; T913-S915 PolarHBondContact O-N 3.15Å; T913-S915 VanDerWaalsContact O-N 3.17Å; T913-Q916 WeakPolarHBondContact O-CB 3.46Å; T913-Q916 PolarHBondContact O-N 3.37Å; T913-W922 VanDerWaalsContact OG1-CD1 3.28Å; T913-W922 PolarHBondContact OG1-NE1 2.67Å |
| 914 | V | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.6 | -176.6 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | L910 I911 W922 T951 L1024 R1027 | L910-V914 WeakPolarHBondContact O-CB 3.45Å; L910-V914 PolarHBondContact O-N 2.86Å; I911-V914 WeakPolarHBondContact O-CG1 3.25Å; V914-W922 HydrophobicContact CB-CH2 4.48Å; V914-W922 HydrophobicContact CB-CZ2 3.63Å; V914-W922 HydrophobicContact CG2-CH2 3.8Å; V914-W922 HydrophobicContact CG2-CZ2 3.44Å; V914-W922 VanDerWaalsContact CG2-CZ2 3.44Å; V914-T951 HydrophobicContact CG1-CG2 4.15Å; V914-T951 HydrophobicContact CG2-CG2 3.83Å; V914-L1024 HydrophobicContact CG1-CD1 4.42Å; V914-L1024 HydrophobicContact CG2-CD1 3.93Å; V914-R1027 HydrophobicContact CG2-CB 4.14Å; V914-R1027 PolarHBondContact O-NH1 2.82Å |
| 915 | S | 88.3 | Confident | 90.6 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.6 | 180 | -55.3 | 0 | 0 | 0 | 0 | 114.1 | T913 | T913-S915 PolarHBondContact O-N 3.15Å; T913-S915 VanDerWaalsContact O-N 3.17Å |
| 916 | Q | 87.2 | Confident | 90.8 | Very high | 63 Ų | 63 | 42 Ų | 42 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -77.6 | 125 | -178.4 | -66 | -174.5 | -4.7 | 0 | 0 | 111.1 | T913 Q919 R1027 | T913-Q916 WeakPolarHBondContact O-CB 3.46Å; T913-Q916 PolarHBondContact O-N 3.37Å; Q916-Q919 HydrophobicContact CB-CG 3.92Å; Q916-R1027 PolarHBondContact O-NH1 3.36Å; Q916-R1027 PolarHBondContact O-NH2 3.03Å | ||
| 917 | P | 78 | Confident | 90.8 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 161.9 | 178.5 | 29 | -34.4 | 0 | 0 | 0 | 111.6 | Q919 F1023 | P917-Q919 PolarHBondContact O-N 3.17Å; P917-F1023 HydrophobicContact CB-CE1 4.38Å; P917-F1023 HydrophobicContact CB-CZ 4.27Å |
| 918 | N | 75.8 | Confident | 90.9 | Very high | 155 Ų | 155 | 46.1 Ų | 46.1 | 83% | 0.829 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 11.9 | 174.1 | -58.5 | -12 | 0 | 0 | 0 | 117.3 | V920 | N918-V920 PolarHBondContact O-N 3.06Š|
| 919 | Q | 81.3 | Confident | 91.1 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | trans | -82.9 | 86.5 | 172.7 | -59.8 | -69.4 | -1.5 | 0 | 0 | 111.7 | L862 Q916 P917 L921 W922 R1027 | L862-Q919 HydrophobicContact CD1-CB 3.77Å; L862-Q919 HydrophobicContact CD1-CG 3.97Å; Q916-Q919 HydrophobicContact CB-CG 3.92Å; P917-Q919 PolarHBondContact O-N 3.17Å; Q919-L921 VanDerWaalsContact C-N 3.33Å; Q919-W922 HydrophobicContact CB-CB 4.11Å; Q919-W922 PolarHBondContact O-N 3.19Å; Q919-R1027 PolarHBondContact O-NH2 3.33Å | ||
| 920 | V | 85 | Confident | 91.3 | Very high | 130 Ų | 130 | 42.8 Ų | 42.8 | 79% | 0.788 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.1 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | N918 W922 | N918-V920 PolarHBondContact O-N 3.06Å; V920-W922 PolarHBondContact O-N 3.42Å |
| 921 | L | 89.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.7 | -179.5 | -64.4 | 177.6 | 0 | 0 | 0 | 114.6 | L862 E863 Q919 V923 P924 M925 | L862-L921 HydrophobicContact CB-CB 4.3Å; E863-L921 HydrophobicContact CB-CD1 3.91Å; E863-L921 HydrophobicContact CG-CD1 4.47Å; Q919-L921 VanDerWaalsContact C-N 3.33Å; L921-V923 PolarHBondContact O-N 3.17Å; L921-P924 WeakPolarHBondContact O-CD 3.47Å; L921-M925 VanDerWaalsContact O-CB 3.27Å; L921-M925 WeakPolarHBondContact O-CB 3.21Å; L921-M925 PolarHBondContact O-N 3.23Å |
| 922 | W | 95.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | -176.6 | -171.7 | 90.7 | 0 | 0 | 0 | 112.7 | L862 T913 V914 Q919 V920 M925 M926 R1027 L1031 | L862-W922 HydrophobicContact CD1-CB 4.16Å; T913-W922 VanDerWaalsContact OG1-CD1 3.28Å; T913-W922 PolarHBondContact OG1-NE1 2.67Å; V914-W922 HydrophobicContact CB-CH2 4.48Å; V914-W922 HydrophobicContact CB-CZ2 3.63Å; V914-W922 HydrophobicContact CG2-CH2 3.8Å; V914-W922 HydrophobicContact CG2-CZ2 3.44Å; V914-W922 VanDerWaalsContact CG2-CZ2 3.44Å; Q919-W922 HydrophobicContact CB-CB 4.11Å; Q919-W922 PolarHBondContact O-N 3.19Å; V920-W922 PolarHBondContact O-N 3.42Å; W922-M925 HydrophobicContact CG-CE 4.45Å; W922-M926 HydrophobicContact CD2-CB 4.44Å; W922-M926 HydrophobicContact CE3-CB 4.11Å; W922-M926 HydrophobicContact CH2-CB 4.15Å; W922-M926 HydrophobicContact CH2-CG 3.84Å; W922-M926 HydrophobicContact CZ2-CB 4.43Å; W922-M926 HydrophobicContact CZ2-CG 4.39Å; W922-M926 HydrophobicContact CZ3-CB 3.97Å; W922-M926 HydrophobicContact CZ3-CE 4.12Å; W922-M926 HydrophobicContact CZ3-CG 3.94Å; W922-M926 WeakPolarHBondContact O-CB 3.38Å; W922-M926 PolarHBondContact O-N 3.4Å; W922-R1027 HydrophobicContact CD2-CG 4.1Å; W922-R1027 HydrophobicContact CE3-CB 3.79Å; W922-R1027 HydrophobicContact CE3-CG 3.5Å; W922-R1027 VanDerWaalsContact CE3-CG 3.5Å; W922-R1027 HydrophobicContact CH2-CB 4.15Å; W922-R1027 HydrophobicContact CZ3-CB 3.58Å; W922-R1027 HydrophobicContact CZ3-CG 3.85Å; W922-L1031 HydrophobicContact CH2-CB 4.46Å |
| 923 | V | 94.7 | Very high | 91.8 | Very high | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.255 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.2 | -52.5 | 180 | 174.9 | 0 | 0 | 0 | 0 | 111 | L921 M925 M926 E927 R1027 A1030 | L921-V923 PolarHBondContact O-N 3.17Å; V923-M925 VanDerWaalsContact C-N 3.32Å; V923-M925 PolarHBondContact O-N 2.65Å; V923-M926 HydrophobicContact CG1-CE 4.24Å; V923-M926 WeakPolarHBondContact O-CB 3.48Å; V923-M926 PolarHBondContact O-N 2.95Å; V923-M926 VanDerWaalsContact O-N 3.13Å; V923-E927 HydrophobicContact CG1-CG 4.42Å; V923-E927 WeakPolarHBondContact O-CG 3.22Å; V923-E927 PolarHBondContact O-N 3.35Å; V923-R1027 HydrophobicContact CG2-CG 4.45Å; V923-A1030 HydrophobicContact CG2-CB 4.35Å |
| 924 | P | 95.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.3 | -42.8 | 174.2 | -27.5 | 33.7 | 0 | 0 | 0 | 113.9 | K866 L921 E927 Q928 | K866-P924 HydrophobicContact CD-CB 4.36Å; L921-P924 WeakPolarHBondContact O-CD 3.47Å; P924-E927 PolarHBondContact O-N 2.93Å; P924-Q928 WeakPolarHBondContact O-CG 3.2Å; P924-Q928 PolarHBondContact O-N 3.05Å |
| 925 | M | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.3 | 178.5 | -77.8 | -67 | 0 | 0 | 111.2 | L862 V865 K866 I909 L910 L921 W922 V923 E927 Q928 A929 | L862-M925 HydrophobicContact CB-CG 4.5Å; L862-M925 HydrophobicContact CD2-CE 4Å; V865-M925 HydrophobicContact CB-CG 4.11Å; V865-M925 HydrophobicContact CG1-CG 3.71Å; V865-M925 HydrophobicContact CG1-SD 3.9Å; K866-M925 HydrophobicContact CB-CB 4.28Å; I909-M925 HydrophobicContact CG2-CE 4.11Å; I909-M925 HydrophobicContact CG2-SD 4.25Å; L910-M925 HydrophobicContact CD2-CE 3.97Å; L910-M925 HydrophobicContact CD2-SD 3.97Å; L921-M925 VanDerWaalsContact O-CB 3.27Å; L921-M925 WeakPolarHBondContact O-CB 3.21Å; L921-M925 PolarHBondContact O-N 3.23Å; W922-M925 HydrophobicContact CG-CE 4.45Å; V923-M925 VanDerWaalsContact C-N 3.32Å; V923-M925 PolarHBondContact O-N 2.65Å; M925-E927 VanDerWaalsContact C-N 3.33Å; M925-E927 PolarHBondContact O-N 3.45Å; M925-Q928 PolarHBondContact O-N 3Å; M925-A929 WeakPolarHBondContact O-CB 3.47Å; M925-A929 PolarHBondContact O-N 2.77Å; M925-A929 HydrophobicContact SD-CB 4.31Å |
| 926 | M | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | 174.3 | -82.2 | -66.3 | 0 | 0 | 111.7 | L910 W922 V923 Q928 A929 I930 A1030 L1031 H1034 | L910-M926 HydrophobicContact CD2-CB 3.79Å; L910-M926 HydrophobicContact CD2-CG 3.86Å; W922-M926 HydrophobicContact CD2-CB 4.44Å; W922-M926 HydrophobicContact CE3-CB 4.11Å; W922-M926 HydrophobicContact CH2-CB 4.15Å; W922-M926 HydrophobicContact CH2-CG 3.84Å; W922-M926 HydrophobicContact CZ2-CB 4.43Å; W922-M926 HydrophobicContact CZ2-CG 4.39Å; W922-M926 HydrophobicContact CZ3-CB 3.97Å; W922-M926 HydrophobicContact CZ3-CE 4.12Å; W922-M926 HydrophobicContact CZ3-CG 3.94Å; W922-M926 WeakPolarHBondContact O-CB 3.38Å; W922-M926 PolarHBondContact O-N 3.4Å; V923-M926 HydrophobicContact CG1-CE 4.24Å; V923-M926 WeakPolarHBondContact O-CB 3.48Å; V923-M926 PolarHBondContact O-N 2.95Å; V923-M926 VanDerWaalsContact O-N 3.13Å; M926-Q928 VanDerWaalsContact C-N 3.35Å; M926-Q928 PolarHBondContact O-N 3.3Å; M926-A929 PolarHBondContact O-N 2.97Å; M926-I930 HydrophobicContact CG-CD1 3.88Å; M926-I930 HydrophobicContact CG-CG1 4.36Å; M926-I930 WeakPolarHBondContact O-CB 3.41Å; M926-I930 WeakPolarHBondContact O-CG1 3.29Å; M926-I930 PolarHBondContact O-N 3.3Å; M926-I930 HydrophobicContact SD-CD1 3.42Å; M926-I930 WeakPolarHBondContact SD-CD1 3.34Å; M926-I930 HydrophobicContact SD-CG1 4.19Å; M926-A1030 HydrophobicContact CE-CB 4.28Å; M926-L1031 HydrophobicContact CG-CD1 3.97Å; M926-L1031 HydrophobicContact SD-CD1 3.99Å; M926-H1034 HydrophobicContact CE-CB 4.28Å; M926-H1034 HydrophobicContact SD-CB 4.18Å |
| 927 | E | 97.4 | Very high | 92.7 | Very high | 66 Ų | 66 | 38 Ų | 38 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -41.7 | -178.8 | -71 | -174 | 151.2 | 0 | 0 | 112.4 | V923 P924 M925 S931 H1034 K1165 | V923-E927 HydrophobicContact CG1-CG 4.42Å; V923-E927 WeakPolarHBondContact O-CG 3.22Å; V923-E927 PolarHBondContact O-N 3.35Å; P924-E927 PolarHBondContact O-N 2.93Å; M925-E927 VanDerWaalsContact C-N 3.33Å; M925-E927 PolarHBondContact O-N 3.45Å; E927-S931 PolarHBondContact O-N 2.96Å; E927-S931 VanDerWaalsContact O-N 3.14Å; E927-H1034 VanDerWaalsContact CA-NE2 3.34Å; E927-H1034 WeakPolarHBondContact CA-NE2 3.43Å; E927-H1034 PolarHBondContact O-NE2 3.18Å; E927-H1034 IonicContact OE1-ND1 3.14Å; E927-K1165 IonicContact OE1-NZ 3.53Å |
| 928 | Q | 96.7 | Very high | 93.3 | Very high | 64 Ų | 64 | 39 Ų | 39 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.5 | -48.1 | 175.4 | -62.2 | -55.4 | -29.4 | 0 | 0 | 111.5 | K866 C869 E870 P924 M925 M926 I930 S931 I932 | K866-Q928 HydrophobicContact CG-CG 4.07Å; C869-Q928 HydrophobicContact CB-CB 3.77Å; E870-Q928 HydrophobicContact CG-CG 4.1Å; P924-Q928 WeakPolarHBondContact O-CG 3.2Å; P924-Q928 PolarHBondContact O-N 3.05Å; M925-Q928 PolarHBondContact O-N 3Å; M926-Q928 VanDerWaalsContact C-N 3.35Å; M926-Q928 PolarHBondContact O-N 3.3Å; Q928-I930 VanDerWaalsContact C-N 3.33Å; Q928-I930 PolarHBondContact O-N 3.33Å; Q928-S931 WeakPolarHBondContact O-CB 3.48Å; Q928-S931 PolarHBondContact O-N 3.21Å; Q928-S931 VanDerWaalsContact O-N 3.1Å; Q928-I932 WeakPolarHBondContact O-CG1 3.46Å; Q928-I932 PolarHBondContact O-N 3.1Å |
| 929 | A | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L906 L910 M925 M926 I932 I933 | L906-A929 HydrophobicContact CD2-CB 4.1Å; L910-A929 HydrophobicContact CD1-CB 4.29Å; L910-A929 HydrophobicContact CD2-CB 4.33Å; M925-A929 WeakPolarHBondContact O-CB 3.47Å; M925-A929 PolarHBondContact O-N 2.77Å; M925-A929 HydrophobicContact SD-CB 4.31Å; M926-A929 PolarHBondContact O-N 2.97Å; A929-I932 PolarHBondContact O-N 2.75Å; A929-I933 WeakPolarHBondContact O-CG1 3.16Å; A929-I933 PolarHBondContact O-N 2.65Å; A929-I933 VanDerWaalsContact O-N 3.11Å |
| 930 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 176.6 | -70.3 | -174.1 | 0 | 0 | 0 | 111 | L910 M926 Q928 I932 I933 Y934 M944 L947 L1031 I1035 K1038 | L910-I930 HydrophobicContact CD1-CG1 4.49Å; M926-I930 HydrophobicContact CG-CD1 3.88Å; M926-I930 HydrophobicContact CG-CG1 4.36Å; M926-I930 WeakPolarHBondContact O-CB 3.41Å; M926-I930 WeakPolarHBondContact O-CG1 3.29Å; M926-I930 PolarHBondContact O-N 3.3Å; M926-I930 HydrophobicContact SD-CD1 3.42Å; M926-I930 WeakPolarHBondContact SD-CD1 3.34Å; M926-I930 HydrophobicContact SD-CG1 4.19Å; Q928-I930 VanDerWaalsContact C-N 3.33Å; Q928-I930 PolarHBondContact O-N 3.33Å; I930-I932 VanDerWaalsContact C-N 3.31Å; I930-I932 PolarHBondContact O-N 3.44Å; I930-I933 PolarHBondContact O-N 2.8Å; I930-Y934 HydrophobicContact CG2-CD2 3.6Å; I930-Y934 HydrophobicContact CG2-CE2 3.71Å; I930-Y934 WeakPolarHBondContact O-CD2 3.37Å; I930-Y934 PolarHBondContact O-N 3.27Å; I930-M944 HydrophobicContact CD1-SD 4.23Å; I930-M944 HydrophobicContact CG1-CE 4.3Å; I930-M944 HydrophobicContact CG1-SD 4.27Å; I930-M944 HydrophobicContact CG2-CE 4.12Å; I930-M944 HydrophobicContact CG2-SD 4.24Å; I930-L947 HydrophobicContact CD1-CD2 4.37Å; I930-L1031 HydrophobicContact CD1-CD1 3.45Å; I930-L1031 VanDerWaalsContact CD1-CD1 3.45Å; I930-I1035 HydrophobicContact CD1-CD1 4.26Å; I930-I1035 HydrophobicContact CD1-CG1 3.74Å; I930-K1038 HydrophobicContact CG2-CB 4.33Å; I930-K1038 HydrophobicContact CG2-CG 4.13Å |
| 931 | S | 96.6 | Very high | 95 | Very high | 20 Ų | 20 | 28 Ų | 28 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.4 | -48.1 | 174.6 | -154.4 | 0 | 0 | 0 | 0 | 111.1 | E927 Q928 I933 Y934 D935 K1038 | E927-S931 PolarHBondContact O-N 2.96Å; E927-S931 VanDerWaalsContact O-N 3.14Å; Q928-S931 WeakPolarHBondContact O-CB 3.48Å; Q928-S931 PolarHBondContact O-N 3.21Å; Q928-S931 VanDerWaalsContact O-N 3.1Å; S931-I933 VanDerWaalsContact C-N 3.31Å; S931-I933 PolarHBondContact O-N 3.45Å; S931-Y934 CarbonylContact O-C 3.59Å; S931-Y934 PolarHBondContact O-N 3.46Å; S931-Y934 VanDerWaalsContact O-N 3.08Å; S931-D935 WeakPolarHBondContact O-CB 3.14Å; S931-D935 PolarHBondContact O-N 3.3Å; S931-D935 VanDerWaalsContact O-OD2 3.04Å; S931-D935 PolarHBondContact OG-OD2 2.92Å; S931-K1038 PolarHBondContact OG-NZ 3.41Å |
| 932 | I | 96.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 178.6 | -60.2 | -49.8 | 0 | 0 | 0 | 112.8 | C869 L872 G873 L902 L906 Q928 A929 I930 D935 L936 | C869-I932 HydrophobicContact CB-CG1 3.89Å; C869-I932 VanDerWaalsContact O-CD1 3.27Å; C869-I932 WeakPolarHBondContact O-CD1 3.42Å; L872-I932 HydrophobicContact CB-CD1 3.97Å; L872-I932 HydrophobicContact CB-CG1 4.3Å; L872-I932 HydrophobicContact CB-CG2 4.38Å; L872-I932 HydrophobicContact CD1-CG2 4.23Å; G873-I932 VanDerWaalsContact N-CD1 3.26Å; L902-I932 HydrophobicContact CD2-CG2 4.15Å; L906-I932 HydrophobicContact CD1-CG2 4.41Å; Q928-I932 WeakPolarHBondContact O-CG1 3.46Å; Q928-I932 PolarHBondContact O-N 3.1Å; A929-I932 PolarHBondContact O-N 2.75Å; I930-I932 VanDerWaalsContact C-N 3.31Å; I930-I932 PolarHBondContact O-N 3.44Å; I932-D935 PolarHBondContact O-N 3.2Å; I932-L936 HydrophobicContact CG2-CD1 3.87Å; I932-L936 WeakPolarHBondContact O-CB 3.35Å; I932-L936 PolarHBondContact O-N 2.94Å |
| 933 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 175 | -63.8 | 162.5 | 0 | 0 | 0 | 110.4 | F903 L906 L910 A929 I930 S931 D935 A937 P940 I943 M944 | F903-I933 HydrophobicContact CD1-CB 4.45Å; F903-I933 HydrophobicContact CD1-CG1 3.94Å; F903-I933 HydrophobicContact CD1-CG2 4.39Å; F903-I933 HydrophobicContact CE1-CG1 4.48Å; L906-I933 HydrophobicContact CB-CD1 4.18Å; L906-I933 HydrophobicContact CD1-CD1 4.27Å; L906-I933 HydrophobicContact CD1-CG1 3.86Å; L910-I933 HydrophobicContact CD1-CD1 4.47Å; A929-I933 WeakPolarHBondContact O-CG1 3.16Å; A929-I933 PolarHBondContact O-N 2.65Å; A929-I933 VanDerWaalsContact O-N 3.11Å; I930-I933 PolarHBondContact O-N 2.8Å; S931-I933 VanDerWaalsContact C-N 3.31Å; S931-I933 PolarHBondContact O-N 3.45Å; I933-D935 VanDerWaalsContact C-N 3.31Å; I933-D935 PolarHBondContact O-N 3.4Å; I933-A937 HydrophobicContact CG2-CB 4.1Å; I933-A937 WeakPolarHBondContact O-CB 3.47Å; I933-A937 PolarHBondContact O-N 3.41Å; I933-P940 HydrophobicContact CG2-CB 4.13Å; I933-I943 HydrophobicContact CD1-CG2 4.21Å; I933-I943 HydrophobicContact CG2-CB 4.25Å; I933-I943 HydrophobicContact CG2-CD1 3.85Å; I933-I943 HydrophobicContact CG2-CG2 3.98Å; I933-M944 HydrophobicContact CB-CE 3.62Å; I933-M944 HydrophobicContact CD1-CE 3.68Å; I933-M944 HydrophobicContact CG1-CE 4.24Å; I933-M944 HydrophobicContact CG2-CE 3.36Å |
| 934 | Y | 96.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -29 | 177.6 | -88 | -76.7 | 0 | 0 | 0 | 113.9 | R895 I930 S931 P940 M944 I1035 K1038 Q1039 F1042 | R895-Y934 PolarHBondContact NH1-O 2.9Å; R895-Y934 PolarHBondContact NH2-O 3.36Å; I930-Y934 HydrophobicContact CG2-CD2 3.6Å; I930-Y934 HydrophobicContact CG2-CE2 3.71Å; I930-Y934 WeakPolarHBondContact O-CD2 3.37Å; I930-Y934 PolarHBondContact O-N 3.27Å; S931-Y934 CarbonylContact O-C 3.59Å; S931-Y934 PolarHBondContact O-N 3.46Å; S931-Y934 VanDerWaalsContact O-N 3.08Å; Y934-P940 HydrophobicContact CD1-CB 3.72Å; Y934-P940 HydrophobicContact CD1-CG 3.71Å; Y934-P940 HydrophobicContact CE1-CB 3.89Å; Y934-P940 HydrophobicContact CE1-CG 3.9Å; Y934-P940 HydrophobicContact CG-CB 4.15Å; Y934-M944 HydrophobicContact CD2-CE 4.25Å; Y934-M944 HydrophobicContact CE2-CE 4.02Å; Y934-M944 HydrophobicContact CE2-CG 3.8Å; Y934-M944 HydrophobicContact CE2-SD 4.19Å; Y934-I1035 PolarHBondContact OH-O 2.86Å; Y934-K1038 HydrophobicContact CD2-CB 3.51Å; Y934-K1038 HydrophobicContact CD2-CG 4.3Å; Y934-K1038 HydrophobicContact CE2-CB 3.45Å; Y934-K1038 VanDerWaalsContact CE2-CB 3.45Å; Y934-K1038 HydrophobicContact CG-CB 4.08Å; Y934-Q1039 HydrophobicContact CE1-CB 4.41Å; Y934-Q1039 VanDerWaalsContact CE1-OE1 3.24Å; Y934-Q1039 WeakPolarHBondContact OH-CB 3.5Å; Y934-Q1039 PolarHBondContact OH-OE1 3.09Å; Y934-F1042 HydrophobicContact CD1-CB 3.55Å; Y934-F1042 HydrophobicContact CD1-CD1 4.38Å; Y934-F1042 AromaticContact CD1-CD2 3.93Å; Y934-F1042 HydrophobicContact CD1-CD2 3.93Å; Y934-F1042 AromaticContact CD1-CG 3.7Å; Y934-F1042 HydrophobicContact CD1-CG 3.7Å; Y934-F1042 HydrophobicContact CE1-CB 3.83Å; Y934-F1042 HydrophobicContact CE1-CD1 4.38Å; Y934-F1042 HydrophobicContact CE1-CG 4.07Å |
| 935 | D | 92.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 25.8 Ų | 25.8 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -79.9 | -37.6 | 179.5 | -67.2 | -34.1 | 0 | 0 | 0 | 111.9 | V876 R895 S931 I932 I933 | V876-D935 HydrophobicContact CG1-CB 4.28Å; V876-D935 HydrophobicContact CG2-CB 4.08Å; R895-D935 WeakPolarHBondContact CD-O 3.29Å; R895-D935 PolarHBondContact NE-O 3.41Å; R895-D935 PolarHBondContact NH1-O 2.98Å; R895-D935 PolarHBondContact NH2-O 3.31Å; S931-D935 WeakPolarHBondContact O-CB 3.14Å; S931-D935 PolarHBondContact O-N 3.3Å; S931-D935 VanDerWaalsContact O-OD2 3.04Å; S931-D935 PolarHBondContact OG-OD2 2.92Å; I932-D935 PolarHBondContact O-N 3.2Å; I933-D935 VanDerWaalsContact C-N 3.31Å; I933-D935 PolarHBondContact O-N 3.4Å |
| 936 | L | 93.5 | Very high | 95 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -108.5 | -24.8 | -171.4 | -64.9 | 178.4 | 0 | 0 | 0 | 115.4 | I839 V876 F894 R895 L896 L902 F903 I932 | I839-L936 HydrophobicContact CD1-CD2 4.11Å; V876-L936 HydrophobicContact CG2-CD2 4.23Å; V876-L936 HydrophobicContact CG2-CG 4.46Å; F894-L936 HydrophobicContact CD1-CD2 4.01Å; F894-L936 HydrophobicContact CE1-CD2 4.3Å; R895-L936 CarbonylContact C-O 3.6Å; R895-L936 VanDerWaalsContact CA-O 3.27Å; R895-L936 WeakPolarHBondContact CA-O 3.25Å; L896-L936 HydrophobicContact CD1-CB 4.42Å; L896-L936 HydrophobicContact CD1-CD1 4.44Å; L896-L936 PolarHBondContact N-O 3.05Å; L902-L936 HydrophobicContact CD2-CD1 3.88Å; F903-L936 HydrophobicContact CE1-CB 4.09Å; F903-L936 HydrophobicContact CZ-CB 3.83Å; I932-L936 HydrophobicContact CG2-CD1 3.87Å; I932-L936 WeakPolarHBondContact O-CB 3.35Å; I932-L936 PolarHBondContact O-N 2.94Å |
| 937 | A | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 145.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R895 F903 I933 P940 I943 | R895-A937 WeakPolarHBondContact CD-O 3.47Å; R895-A937 PolarHBondContact NH1-O 3.37Å; F903-A937 HydrophobicContact CD1-CB 4.47Å; F903-A937 HydrophobicContact CD2-CB 4.26Å; F903-A937 HydrophobicContact CE1-CB 3.98Å; F903-A937 HydrophobicContact CE2-CB 3.74Å; F903-A937 VanDerWaalsContact CZ-CA 3.43Å; F903-A937 HydrophobicContact CZ-CB 3.6Å; I933-A937 HydrophobicContact CG2-CB 4.1Å; I933-A937 WeakPolarHBondContact O-CB 3.47Å; I933-A937 PolarHBondContact O-N 3.41Å; A937-P940 HydrophobicContact CB-CB 4.28Å; A937-I943 HydrophobicContact CB-CD1 3.93Å |
| 938 | E | 90.9 | Very high | 94.8 | Very high | 106 Ų | 106 | 28.8 Ų | 28.8 | 50% | 0.495 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -67.7 | -37 | 170.5 | -75.6 | -176.6 | 154.2 | 0 | 0 | 112.7 | R895 L896 | R895-E938 HydrophobicContact CB-CG 3.68Å; L896-E938 WeakPolarHBondContact O-CG 3.48Å; L896-E938 PolarHBondContact O-N 3.16Å |
| 939 | A | 91.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 33.2 Ų | 33.2 | 24% | 0.24 | 17% | 0.167 | C | C | . | . | trans | -133.2 | 74.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | D941 S942 | A939-D941 VanDerWaalsContact C-N 3.32Å; A939-D941 WeakPolarHBondContact CA-OD1 3.28Å; A939-D941 PolarHBondContact O-N 3.34Å; A939-S942 PolarHBondContact O-N 3.15Å; A939-S942 PolarHBondContact O-OG 3.37Å | ||
| 940 | P | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -33.8 | -176.9 | 26 | -33.6 | 0 | 0 | 0 | 113 | I933 Y934 A937 S942 I943 M944 F1042 | I933-P940 HydrophobicContact CG2-CB 4.13Å; Y934-P940 HydrophobicContact CD1-CB 3.72Å; Y934-P940 HydrophobicContact CD1-CG 3.71Å; Y934-P940 HydrophobicContact CE1-CB 3.89Å; Y934-P940 HydrophobicContact CE1-CG 3.9Å; Y934-P940 HydrophobicContact CG-CB 4.15Å; A937-P940 HydrophobicContact CB-CB 4.28Å; P940-S942 VanDerWaalsContact C-N 3.34Å; P940-S942 PolarHBondContact O-N 3.48Å; P940-I943 WeakPolarHBondContact O-CB 3.27Å; P940-I943 PolarHBondContact O-N 3.29Å; P940-I943 VanDerWaalsContact O-N 3.11Å; P940-M944 WeakPolarHBondContact O-CG 3.2Å; P940-M944 PolarHBondContact O-N 3.12Å; P940-F1042 HydrophobicContact CG-CD1 4.22Å; P940-F1042 HydrophobicContact CG-CD2 4.28Å; P940-F1042 HydrophobicContact CG-CE1 3.86Å; P940-F1042 HydrophobicContact CG-CE2 3.95Å; P940-F1042 HydrophobicContact CG-CG 4.42Å; P940-F1042 HydrophobicContact CG-CZ 3.72Å |
| 941 | D | 91.7 | Very high | 94.2 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 41% | 0.412 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.9 | -45.3 | 174.8 | 60.8 | -29.6 | 0 | 0 | 0 | 113.1 | A939 I943 M944 C945 | A939-D941 VanDerWaalsContact C-N 3.32Å; A939-D941 WeakPolarHBondContact CA-OD1 3.28Å; A939-D941 PolarHBondContact O-N 3.34Å; D941-I943 VanDerWaalsContact C-N 3.31Å; D941-I943 PolarHBondContact O-N 3.27Å; D941-M944 PolarHBondContact O-N 3.38Å; D941-C945 WeakPolarHBondContact O-CB 3.38Å; D941-C945 PolarHBondContact O-N 2.73Å; D941-C945 PolarHBondContact O-SG 2.97Å |
| 942 | S | 93.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.4 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | T898 A939 P940 Y946 | T898-S942 WeakPolarHBondContact CG2-OG 3.24Å; A939-S942 PolarHBondContact O-N 3.15Å; A939-S942 PolarHBondContact O-OG 3.37Å; P940-S942 VanDerWaalsContact C-N 3.34Å; P940-S942 PolarHBondContact O-N 3.48Å; S942-Y946 PolarHBondContact O-N 3.36Å |
| 943 | I | 95.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -43.8 | 175.9 | -68.5 | 163.4 | 0 | 0 | 0 | 110.2 | T898 F903 K907 I933 A937 P940 D941 Y946 L947 | T898-I943 HydrophobicContact CG2-CD1 3.69Å; T898-I943 HydrophobicContact CG2-CG1 3.64Å; F903-I943 HydrophobicContact CB-CD1 3.88Å; F903-I943 HydrophobicContact CD2-CD1 4.17Å; F903-I943 HydrophobicContact CG-CD1 3.94Å; K907-I943 HydrophobicContact CD-CG2 3.92Å; K907-I943 HydrophobicContact CG-CG2 3.81Å; I933-I943 HydrophobicContact CD1-CG2 4.21Å; I933-I943 HydrophobicContact CG2-CB 4.25Å; I933-I943 HydrophobicContact CG2-CD1 3.85Å; I933-I943 HydrophobicContact CG2-CG2 3.98Å; A937-I943 HydrophobicContact CB-CD1 3.93Å; P940-I943 WeakPolarHBondContact O-CB 3.27Å; P940-I943 PolarHBondContact O-N 3.29Å; P940-I943 VanDerWaalsContact O-N 3.11Å; D941-I943 VanDerWaalsContact C-N 3.31Å; D941-I943 PolarHBondContact O-N 3.27Å; I943-Y946 PolarHBondContact O-N 3.11Å; I943-L947 WeakPolarHBondContact O-CB 3.32Å; I943-L947 PolarHBondContact O-N 3.23Å |
| 944 | M | 95.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 179.4 | -66.5 | -49.7 | 141 | 0 | 0 | 112.4 | I930 I933 Y934 P940 D941 Y946 L947 L948 I1035 | I930-M944 HydrophobicContact CD1-SD 4.23Å; I930-M944 HydrophobicContact CG1-CE 4.3Å; I930-M944 HydrophobicContact CG1-SD 4.27Å; I930-M944 HydrophobicContact CG2-CE 4.12Å; I930-M944 HydrophobicContact CG2-SD 4.24Å; I933-M944 HydrophobicContact CB-CE 3.62Å; I933-M944 HydrophobicContact CD1-CE 3.68Å; I933-M944 HydrophobicContact CG1-CE 4.24Å; I933-M944 HydrophobicContact CG2-CE 3.36Å; Y934-M944 HydrophobicContact CD2-CE 4.25Å; Y934-M944 HydrophobicContact CE2-CE 4.02Å; Y934-M944 HydrophobicContact CE2-CG 3.8Å; Y934-M944 HydrophobicContact CE2-SD 4.19Å; P940-M944 WeakPolarHBondContact O-CG 3.2Å; P940-M944 PolarHBondContact O-N 3.12Å; D941-M944 PolarHBondContact O-N 3.38Å; M944-Y946 VanDerWaalsContact C-N 3.33Å; M944-Y946 PolarHBondContact O-N 3.33Å; M944-L947 PolarHBondContact O-N 3.3Å; M944-L947 HydrophobicContact SD-CD2 4.21Å; M944-L948 WeakPolarHBondContact O-CB 3.32Å; M944-L948 WeakPolarHBondContact O-CG 3.34Å; M944-L948 PolarHBondContact O-N 3.34Å; M944-I1035 HydrophobicContact CB-CD1 4.1Å; M944-I1035 HydrophobicContact CB-CG1 4.45Å; M944-I1035 HydrophobicContact CB-CG2 3.82Å; M944-I1035 HydrophobicContact CG-CD1 4.28Å; M944-I1035 HydrophobicContact CG-CG1 4.21Å; M944-I1035 HydrophobicContact CG-CG2 4.02Å; M944-I1035 HydrophobicContact SD-CD1 3.73Å; M944-I1035 HydrophobicContact SD-CG1 3.72Å |
| 945 | C | 93.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 35% | 0.345 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58 | -44.9 | 173.2 | -81.3 | 0 | 0 | 0 | 0 | 112 | D941 R949 | D941-C945 WeakPolarHBondContact O-CB 3.38Å; D941-C945 PolarHBondContact O-N 2.73Å; D941-C945 PolarHBondContact O-SG 2.97Å; C945-R949 WeakPolarHBondContact O-CB 3.44Å; C945-R949 PolarHBondContact O-N 3.49Å; C945-R949 VanDerWaalsContact O-N 3.09Å |
| 946 | Y | 94.2 | Very high | 92.2 | Very high | 124 Ų | 124 | 42.9 Ų | 42.9 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.7 | 178 | -95.4 | 0 | 0 | 0 | 111.5 | K907 I911 S942 I943 M944 L948 R949 S950 | K907-Y946 HydrophobicContact CD-CD1 3.76Å; K907-Y946 HydrophobicContact CD-CE1 4.15Å; I911-Y946 HydrophobicContact CD1-CD1 4.16Å; I911-Y946 HydrophobicContact CD1-CE1 3.59Å; S942-Y946 PolarHBondContact O-N 3.36Å; I943-Y946 PolarHBondContact O-N 3.11Å; M944-Y946 VanDerWaalsContact C-N 3.33Å; M944-Y946 PolarHBondContact O-N 3.33Å; Y946-L948 PolarHBondContact O-N 3.48Å; Y946-R949 PolarHBondContact O-N 2.86Å; Y946-S950 WeakPolarHBondContact O-CB 3.45Å; Y946-S950 PolarHBondContact O-N 2.87Å; Y946-S950 PolarHBondContact O-OG 3.09Å |
| 947 | L | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | -179.6 | -179.4 | 61.4 | 0 | 0 | 0 | 112.4 | L910 I911 I930 I943 M944 T951 L1031 I1035 | L910-L947 HydrophobicContact CB-CD1 3.77Å; L910-L947 HydrophobicContact CB-CD2 4.48Å; L910-L947 HydrophobicContact CD1-CD1 4.43Å; L910-L947 HydrophobicContact CD1-CD2 3.75Å; I911-L947 HydrophobicContact CD1-CD1 4.16Å; I911-L947 HydrophobicContact CG1-CD1 3.53Å; I930-L947 HydrophobicContact CD1-CD2 4.37Å; I943-L947 WeakPolarHBondContact O-CB 3.32Å; I943-L947 PolarHBondContact O-N 3.23Å; M944-L947 PolarHBondContact O-N 3.3Å; M944-L947 HydrophobicContact SD-CD2 4.21Å; L947-T951 VanDerWaalsContact O-CB 3.32Å; L947-T951 WeakPolarHBondContact O-CB 3.27Å; L947-T951 PolarHBondContact O-N 3.14Å; L947-T951 PolarHBondContact O-OG1 3.4Å; L947-L1031 HydrophobicContact CD2-CD1 3.92Å; L947-L1031 HydrophobicContact CG-CD1 4.47Å; L947-L1031 HydrophobicContact CG-CD2 4.26Å; L947-I1035 HydrophobicContact CD2-CD1 4.45Å |
| 948 | L | 95 | Very high | 90.5 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175.9 | -77.1 | 171.8 | 0 | 0 | 0 | 111.3 | M944 Y946 T951 A952 F1028 L1031 I1032 I1035 I1132 L1133 L1136 | M944-L948 WeakPolarHBondContact O-CB 3.32Å; M944-L948 WeakPolarHBondContact O-CG 3.34Å; M944-L948 PolarHBondContact O-N 3.34Å; Y946-L948 PolarHBondContact O-N 3.48Å; L948-T951 PolarHBondContact O-N 3.43Å; L948-A952 VanDerWaalsContact O-CB 3.28Å; L948-A952 WeakPolarHBondContact O-CB 3.49Å; L948-A952 PolarHBondContact O-N 3.13Å; L948-F1028 HydrophobicContact CD2-CE2 4.33Å; L948-L1031 HydrophobicContact CD2-CD2 4.21Å; L948-L1031 HydrophobicContact CD2-CG 4.18Å; L948-I1032 HydrophobicContact CD2-CG1 3.93Å; L948-I1035 HydrophobicContact CD1-CD1 4.15Å; L948-I1035 HydrophobicContact CD1-CG2 4.29Å; L948-I1035 HydrophobicContact CD2-CD1 3.84Å; L948-I1035 HydrophobicContact CG-CD1 3.7Å; L948-I1132 HydrophobicContact CB-CD1 4.38Å; L948-I1132 HydrophobicContact CD1-CG2 4.49Å; L948-L1133 HydrophobicContact CD1-CD2 4.03Å; L948-L1136 HydrophobicContact CD1-CD1 4.13Å; L948-L1136 HydrophobicContact CD2-CD1 4.35Å |
| 949 | R | 93.7 | Very high | 89.3 | Confident | 156 Ų | 156 | 53.1 Ų | 53.1 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.6 | -50.8 | 178.7 | -172.7 | -179.9 | -63.3 | 168.4 | 0.8 | 111.6 | C945 Y946 T951 A952 E953 | C945-R949 WeakPolarHBondContact O-CB 3.44Å; C945-R949 PolarHBondContact O-N 3.49Å; C945-R949 VanDerWaalsContact O-N 3.09Å; Y946-R949 PolarHBondContact O-N 2.86Å; R949-T951 VanDerWaalsContact C-N 3.3Å; R949-T951 PolarHBondContact O-N 3.02Å; R949-A952 PolarHBondContact O-N 3.5Å; R949-E953 WeakPolarHBondContact O-CG 3.39Å; R949-E953 PolarHBondContact O-N 2.88Å |
| 950 | S | 94 | Very high | 87.5 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 179.5 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | Y946 K954 | Y946-S950 WeakPolarHBondContact O-CB 3.45Å; Y946-S950 PolarHBondContact O-N 2.87Å; Y946-S950 PolarHBondContact O-OG 3.09Å; S950-K954 WeakPolarHBondContact O-CG 3.41Å; S950-K954 PolarHBondContact O-N 3.25Å |
| 951 | T | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 111 | V914 L947 L948 R949 E953 K954 L955 F1028 L1031 | V914-T951 HydrophobicContact CG1-CG2 4.15Å; V914-T951 HydrophobicContact CG2-CG2 3.83Å; L947-T951 VanDerWaalsContact O-CB 3.32Å; L947-T951 WeakPolarHBondContact O-CB 3.27Å; L947-T951 PolarHBondContact O-N 3.14Å; L947-T951 PolarHBondContact O-OG1 3.4Å; L948-T951 PolarHBondContact O-N 3.43Å; R949-T951 VanDerWaalsContact C-N 3.3Å; R949-T951 PolarHBondContact O-N 3.02Å; T951-E953 VanDerWaalsContact C-N 3.31Å; T951-E953 PolarHBondContact O-N 3.49Å; T951-K954 WeakPolarHBondContact O-CB 3.38Å; T951-K954 PolarHBondContact O-N 3.41Å; T951-K954 VanDerWaalsContact O-N 3.08Å; T951-L955 HydrophobicContact CG2-CD1 4.29Å; T951-L955 WeakPolarHBondContact O-CD1 3.48Å; T951-L955 PolarHBondContact O-N 2.84Å; T951-F1028 HydrophobicContact CG2-CB 4.48Å; T951-F1028 HydrophobicContact CG2-CD2 3.56Å; T951-F1028 HydrophobicContact CG2-CE2 4.26Å; T951-F1028 HydrophobicContact CG2-CG 4.42Å; T951-L1031 HydrophobicContact CG2-CD2 4.07Å |
| 952 | A | 90 | Very high | 82.5 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L948 R949 K954 L955 V956 F1028 | L948-A952 VanDerWaalsContact O-CB 3.28Å; L948-A952 WeakPolarHBondContact O-CB 3.49Å; L948-A952 PolarHBondContact O-N 3.13Å; R949-A952 PolarHBondContact O-N 3.5Å; A952-K954 VanDerWaalsContact C-N 3.26Å; A952-K954 PolarHBondContact O-N 3.32Å; A952-L955 WeakPolarHBondContact O-CB 3.44Å; A952-L955 PolarHBondContact O-N 2.86Å; A952-V956 WeakPolarHBondContact O-CG2 3.3Å; A952-V956 PolarHBondContact O-N 3.41Å; A952-F1028 HydrophobicContact CB-CE2 4.03Å; A952-F1028 HydrophobicContact CB-CZ 3.76Å |
| 953 | E | 89.8 | Confident | 79.8 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.8 | -37.4 | 173.1 | -74.5 | 166 | -172.8 | 0 | 0 | 112 | R949 T951 L955 V956 Q957 | R949-E953 WeakPolarHBondContact O-CG 3.39Å; R949-E953 PolarHBondContact O-N 2.88Å; T951-E953 VanDerWaalsContact C-N 3.31Å; T951-E953 PolarHBondContact O-N 3.49Å; E953-L955 VanDerWaalsContact C-N 3.33Å; E953-L955 PolarHBondContact O-N 3.2Å; E953-V956 PolarHBondContact O-N 2.88Å; E953-Q957 WeakPolarHBondContact O-CG 3.48Å; E953-Q957 PolarHBondContact O-N 3.4Å |
| 954 | K | 87 | Confident | 76.9 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | 174.2 | -65.3 | -67.5 | -178 | 176.9 | 0 | 112.7 | S950 T951 A952 F958 | S950-K954 WeakPolarHBondContact O-CG 3.41Å; S950-K954 PolarHBondContact O-N 3.25Å; T951-K954 WeakPolarHBondContact O-CB 3.38Å; T951-K954 PolarHBondContact O-N 3.41Å; T951-K954 VanDerWaalsContact O-N 3.08Å; A952-K954 VanDerWaalsContact C-N 3.26Å; A952-K954 PolarHBondContact O-N 3.32Å; K954-F958 WeakPolarHBondContact O-CD2 3.4Å; K954-F958 WeakPolarHBondContact O-CE2 3.08Å |
| 955 | L | 86.6 | Confident | 74 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 7% | 0.073 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 174.8 | -82.7 | 72.9 | 0 | 0 | 0 | 111.3 | T951 A952 E953 Q957 F958 V1020 L1024 L1025 F1028 | T951-L955 HydrophobicContact CG2-CD1 4.29Å; T951-L955 WeakPolarHBondContact O-CD1 3.48Å; T951-L955 PolarHBondContact O-N 2.84Å; A952-L955 WeakPolarHBondContact O-CB 3.44Å; A952-L955 PolarHBondContact O-N 2.86Å; E953-L955 VanDerWaalsContact C-N 3.33Å; E953-L955 PolarHBondContact O-N 3.2Å; L955-Q957 PolarHBondContact O-N 3.38Å; L955-F958 PolarHBondContact O-N 3.44Å; L955-F958 VanDerWaalsContact O-N 3.15Å; L955-V1020 HydrophobicContact CD2-CG1 4.48Å; L955-V1020 HydrophobicContact CG-CG1 4.07Å; L955-L1024 HydrophobicContact CD1-CD1 3.99Å; L955-L1024 HydrophobicContact CD1-CD2 4.2Å; L955-L1024 HydrophobicContact CD1-CG 3.84Å; L955-L1024 HydrophobicContact CG-CD2 4.3Å; L955-L1024 HydrophobicContact CG-CG 4.14Å; L955-L1025 HydrophobicContact CD2-CD1 4.23Å; L955-F1028 HydrophobicContact CD1-CB 3.93Å; L955-F1028 HydrophobicContact CD1-CD1 4.42Å; L955-F1028 HydrophobicContact CD1-CD2 4.32Å; L955-F1028 HydrophobicContact CD1-CG 3.98Å; L955-F1028 HydrophobicContact CD2-CB 3.93Å; L955-F1028 HydrophobicContact CD2-CD1 3.46Å; L955-F1028 VanDerWaalsContact CD2-CD1 3.46Å; L955-F1028 HydrophobicContact CD2-CE1 4.12Å; L955-F1028 HydrophobicContact CD2-CG 3.81Å |
| 956 | V | 83.2 | Confident | 71.1 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.9 | -22.5 | -179.4 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | A952 E953 F958 K959 | A952-V956 WeakPolarHBondContact O-CG2 3.3Å; A952-V956 PolarHBondContact O-N 3.41Å; E953-V956 PolarHBondContact O-N 2.88Å; V956-F958 PolarHBondContact O-N 3.05Å; V956-F958 VanDerWaalsContact O-N 3.16Å; V956-K959 HydrophobicContact CG1-CD 3.8Å; V956-K959 VanDerWaalsContact CG1-CE 3.47Å; V956-K959 HydrophobicContact CG1-CG 4.44Å; V956-K959 VanDerWaalsContact CG1-NZ 3.33Å; V956-K959 WeakPolarHBondContact O-CD 3.5Å; V956-K959 WeakPolarHBondContact O-CG 3.34Å; V956-K959 PolarHBondContact O-N 2.97Å |
| 957 | Q | 81.1 | Confident | 68.1 | Low | 135 Ų | 135 | 83 Ų | 83 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.9 | 174.5 | -72 | 171.1 | 15.6 | 0 | 0 | 113.3 | E953 L955 K959 | E953-Q957 WeakPolarHBondContact O-CG 3.48Å; E953-Q957 PolarHBondContact O-N 3.4Å; L955-Q957 PolarHBondContact O-N 3.38Å; Q957-K959 VanDerWaalsContact C-N 3.29Å; Q957-K959 PolarHBondContact O-N 2.94Å |
| 958 | F | 72.2 | Confident | 64.9 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 35% | 0.346 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 23.2 | 176.1 | -65.2 | -91 | 0 | 0 | 0 | 114 | K954 L955 V956 S960 V1018 N1019 V1020 P1021 L1024 | K954-F958 WeakPolarHBondContact O-CD2 3.4Å; K954-F958 WeakPolarHBondContact O-CE2 3.08Å; L955-F958 PolarHBondContact O-N 3.44Å; L955-F958 VanDerWaalsContact O-N 3.15Å; V956-F958 PolarHBondContact O-N 3.05Å; V956-F958 VanDerWaalsContact O-N 3.16Å; F958-S960 PolarHBondContact O-N 3.02Å; F958-S960 VanDerWaalsContact O-N 3.17Å; F958-V1018 HydrophobicContact CB-CG1 4.28Å; F958-N1019 WeakPolarHBondContact CB-O 3.23Å; F958-N1019 PolarHBondContact O-N 2.92Å; F958-V1020 HydrophobicContact CB-CG2 4.3Å; F958-P1021 HydrophobicContact CD1-CG 4.19Å; F958-P1021 HydrophobicContact CE1-CG 3.69Å; F958-P1021 HydrophobicContact CZ-CG 4Å; F958-L1024 HydrophobicContact CD2-CD2 3.99Å; F958-L1024 HydrophobicContact CE2-CD2 3.36Å; F958-L1024 HydrophobicContact CZ-CD2 4.08Å |
| 959 | K | 66.1 | Low | 61.8 | Low | 107 Ų | 107 | 93.9 Ų | 93.9 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 113.3 | 172 | -84.1 | 167.8 | 168 | 168.1 | 0 | 110 | V956 Q957 V961 I1016 V1018 | V956-K959 HydrophobicContact CG1-CD 3.8Å; V956-K959 VanDerWaalsContact CG1-CE 3.47Å; V956-K959 HydrophobicContact CG1-CG 4.44Å; V956-K959 VanDerWaalsContact CG1-NZ 3.33Å; V956-K959 WeakPolarHBondContact O-CD 3.5Å; V956-K959 WeakPolarHBondContact O-CG 3.34Å; V956-K959 PolarHBondContact O-N 2.97Å; Q957-K959 VanDerWaalsContact C-N 3.29Å; Q957-K959 PolarHBondContact O-N 2.94Å; K959-V961 PolarHBondContact O-N 2.97Å; K959-I1016 HydrophobicContact CG-CG2 4.01Å; K959-V1018 HydrophobicContact CG-CG2 4.12Å |
| 960 | S | 52.5 | Low | 58.7 | Low | 58 Ų | 58 | 94.6 Ų | 94.6 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | trans | -82.8 | 111 | 161.5 | 61.6 | 0 | 0 | 0 | 0 | 108 | F958 L962 S1017 | F958-S960 PolarHBondContact O-N 3.02Å; F958-S960 VanDerWaalsContact O-N 3.17Å; S960-L962 PolarHBondContact O-N 3.32Å; S960-L962 VanDerWaalsContact O-N 3.12Å; S960-S1017 PolarHBondContact OG-O 3.48Å; S960-S1017 PolarHBondContact OG-OG 3.2Å | ||
| 961 | V | 44.5 | Very low | 55.7 | Low | 132 Ų | 132 | 98.7 Ų | 98.7 | 80% | 0.8 | 55% | 0.55 | S | S | * | . | trans | -67.1 | 109.5 | 163.8 | -179.1 | 0 | 0 | 0 | 0 | 105.8 | K959 | K959-V961 PolarHBondContact O-N 2.97Š| ||
| 962 | L | 37.2 | Very low | 52.5 | Low | 118 Ų | 118 | 106.8 Ų | 106.8 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | trans | -51.6 | 127.5 | 167.5 | -89.2 | 155.3 | 0 | 0 | 0 | 107.3 | S960 N964 | S960-L962 PolarHBondContact O-N 3.32Å; S960-L962 VanDerWaalsContact O-N 3.12Å; L962-N964 PolarHBondContact O-N 3.33Å | ||
| 963 | P | 36.1 | Very low | 49.9 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | trans | -60 | 111.9 | 174 | -13.6 | 25.7 | 0 | 0 | 0 | 106.8 | P965 | P963-P965 VanDerWaalsContact O-CD 3.25Å; P963-P965 WeakPolarHBondContact O-CD 3.28Å; P963-P965 VanDerWaalsContact O-N 3.12Å | ||
| 964 | N | 35.3 | Very low | 47.1 | Very low | 154 Ų | 154 | 113.8 Ų | 113.8 | 82% | 0.824 | 63% | 0.632 | S | S | * | * | trans | -57.9 | 119.6 | 172.3 | -111.9 | 0.9 | 0 | 0 | 0 | 107.2 | L962 V966 | L962-N964 PolarHBondContact O-N 3.33Å; N964-V966 PolarHBondContact O-N 3.07Å | ||
| 965 | P | 34.5 | Very low | 44.4 | Very low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -70.1 | 118.2 | 175.6 | 27 | -29.1 | 0 | 0 | 0 | 108.1 | P963 | P963-P965 VanDerWaalsContact O-CD 3.25Å; P963-P965 WeakPolarHBondContact O-CD 3.28Å; P963-P965 VanDerWaalsContact O-N 3.12Å |
| 966 | V | 31.9 | Very low | 41.6 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | trans | 68.4 | 92.3 | 162.9 | -163.2 | 0 | 0 | 0 | 0 | 115.4 | N964 | N964-V966 PolarHBondContact O-N 3.07Š| ||
| 967 | N | 32.3 | Very low | 39.1 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | -158.7 | 99.1 | 128.3 | -106.8 | -12.4 | 0 | 0 | 0 | 109.6 | N969 | N967-N969 PolarHBondContact O-N 2.94Å; N967-N969 VanDerWaalsContact O-N 3.16Å | |||
| 968 | S | 28.7 | Very low | 36.7 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -59.7 | 105.5 | 155.1 | 44.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 969 | N | 29.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 165.4 | 139.2 | 131.5 | -83.4 | -8.5 | 0 | 0 | 0 | 111.4 | N967 | N967-N969 PolarHBondContact O-N 2.94Å; N967-N969 VanDerWaalsContact O-N 3.16Å | ||
| 970 | E | 28.9 | Very low | 32.7 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | 85.9 | 99.6 | 146.4 | -73.4 | 169.1 | -168.7 | 0 | 0 | 120 | ||||
| 971 | S | 29.2 | Very low | 31.6 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | 57.9 | 99.7 | 125.8 | 50.1 | 0 | 0 | 0 | 0 | 120.5 | V973 | S971-V973 PolarHBondContact O-N 3.38Š| |||
| 972 | I | 26.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | 11.3 | 103.3 | 127.1 | -50.2 | 170.2 | 0 | 0 | 0 | 115.2 | |||||
| 973 | V | 33.5 | Very low | 30.4 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | -139.5 | 129.5 | 150.7 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | S971 N975 | S971-V973 PolarHBondContact O-N 3.38Å; V973-N975 PolarHBondContact O-N 3.05Å | ||
| 974 | D | 31.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -45.7 | 119.6 | 179.3 | -79.1 | -49.3 | 0 | 0 | 0 | 114.4 | ||||
| 975 | N | 30.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -104.4 | 83.5 | 166 | -94.2 | -23.5 | 0 | 0 | 0 | 109.6 | V973 | V973-N975 PolarHBondContact O-N 3.05Š| ||
| 976 | N | 29.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -131.8 | 77.9 | 163.8 | -96.5 | -16.4 | 0 | 0 | 0 | 108.1 | ||||
| 977 | Q | 30.2 | Very low | 29.5 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -171.9 | 60.2 | 168 | -111.1 | 166.5 | 82.1 | 0 | 0 | 113.1 | ||||
| 978 | I | 30.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -140.1 | 74.4 | 163 | -50.5 | 176.7 | 0 | 0 | 0 | 108.2 | ||||
| 979 | L | 25.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -137.4 | -0.3 | 169.2 | -149 | 80.2 | 0 | 0 | 0 | 114.8 | ||||
| 980 | D | 28.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -120.1 | 92.3 | 179.3 | -85.5 | -26.2 | 0 | 0 | 0 | 110.9 | ||||
| 981 | K | 30.2 | Very low | 30.1 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -171.4 | 17 | 153.3 | -109.1 | 164.1 | -169.6 | -177.6 | 0 | 118 | ||||
| 982 | L | 27.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 157.3 Ų | 157.3 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -122.2 | 57.7 | 177.2 | -65.4 | 171.7 | 0 | 0 | 0 | 112 | ||||
| 983 | V | 27.8 | Very low | 30.5 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -138.8 | 85.2 | 158.2 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 984 | R | 31 | Very low | 30.3 | Very low | 247 Ų | 247 | 156.1 Ų | 156.1 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -136.6 | 114.5 | 159.8 | -78.2 | -166.3 | 173 | -172.6 | -4 | 108.6 | ||||
| 985 | S | 28.8 | Very low | 30.1 | Very low | 95 Ų | 95 | 157.3 Ų | 157.3 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | -54.6 | 149.2 | 171.6 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 986 | D | 27.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 159.4 Ų | 159.4 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | 48.2 | 119.8 | 128.9 | -47.6 | -28.9 | 0 | 0 | 0 | 118.9 | |||||
| 987 | D | 32.2 | Very low | 30 | Very low | 141 Ų | 141 | 160.9 Ų | 160.9 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | 159.7 | 129.6 | 115.5 | -78.4 | -26.4 | 0 | 0 | 0 | 111.4 | |||||
| 988 | D | 31.3 | Very low | 30 | Very low | 138 Ų | 138 | 158.6 Ų | 158.6 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | 52.2 | 118 | 143.5 | -53.9 | -29.2 | 0 | 0 | 0 | 121.4 | ||||
| 989 | D | 35.2 | Very low | 30 | Very low | 163 Ų | 163 | 156.6 Ų | 156.6 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | -178.3 | 126.4 | 103.5 | -103.8 | -28.6 | 0 | 0 | 0 | 112.2 | |||||
| 990 | D | 29.3 | Very low | 30.3 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -62.8 | 132 | 168.4 | -72.5 | -54.3 | 0 | 0 | 0 | 111.4 | ||||
| 991 | N | 36.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -144.9 | 95.9 | 151.7 | -161.1 | 10.1 | 0 | 0 | 0 | 110.7 | ||||
| 992 | V | 29.8 | Very low | 30.3 | Very low | 112 Ų | 112 | 148 Ų | 148 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | trans | -70.9 | 120.5 | 166.4 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 993 | N | 35.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -135.9 | 122.6 | 158.3 | -148.2 | 18.1 | 0 | 0 | 0 | 110 | ||||
| 994 | D | 29.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 159.3 | -173.5 | -83.5 | -50.2 | 0 | 0 | 0 | 113.8 | ||||
| 995 | E | 26.9 | Very low | 30.2 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 104.5 | 147.5 | -70.8 | 169.9 | -167.2 | 0 | 0 | 119.2 | ||||
| 996 | Q | 32.1 | Very low | 30.2 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | -173.4 | 115 | 118.2 | -101.1 | 164.9 | 16.1 | 0 | 0 | 112.6 | |||||
| 997 | E | 24.7 | Very low | 30.2 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -57.9 | 130.6 | 158 | -67.4 | 173.3 | 132.6 | 0 | 0 | 110.5 | ||||
| 998 | N | 29.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | 171.6 | 123.4 | 124.6 | -98.4 | -66 | 0 | 0 | 0 | 113.7 | |||||
| 999 | V | 31.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 76.6 | 132 | 143.4 | -174.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1000 | P | 31.9 | Very low | 30 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 144.3 | -165.8 | 0.8 | 19.9 | 0 | 0 | 0 | 112.6 | S1002 | P1000-S1002 PolarHBondContact O-N 3.46Š| ||
| 1001 | P | 31.4 | Very low | 30.2 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 106.5 | -179.1 | 30.4 | -30.6 | 0 | 0 | 0 | 111.2 | ||||
| 1002 | S | 25.7 | Very low | 30 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -75.7 | 115.9 | 162.5 | 45.7 | 0 | 0 | 0 | 0 | 111 | P1000 | P1000-S1002 PolarHBondContact O-N 3.46Š| ||
| 1003 | S | 27 | Very low | 30.3 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 42.8 | 93 | 146.8 | 64.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1004 | Q | 29.2 | Very low | 30.7 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -153.4 | 87.5 | 146.9 | -105.9 | 176.2 | 21.7 | 0 | 0 | 109 | K1006 | Q1004-K1006 PolarHBondContact O-N 3.41Å; Q1004-K1006 VanDerWaalsContact O-N 3.12Å | ||
| 1005 | M | 29 | Very low | 31.5 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 100% | 0.995 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 100.3 | 165.8 | -78.9 | -176.2 | 149.5 | 0 | 0 | 108.3 | ||||
| 1006 | K | 29.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 125.9 | 157.8 | -86.5 | -179.1 | 175.4 | 177.5 | 0 | 108.2 | Q1004 | Q1004-K1006 PolarHBondContact O-N 3.41Å; Q1004-K1006 VanDerWaalsContact O-N 3.12Å | ||
| 1007 | S | 27.4 | Very low | 34.4 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 126.8 | 168.6 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1008 | D | 28.9 | Very low | 36.6 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | -141.3 | 116.1 | 150.6 | -92.3 | -33.6 | 0 | 0 | 0 | 107.7 | ||||
| 1009 | P | 34.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -105.5 | 116.5 | 176.3 | 34 | -21.6 | 0 | 0 | 0 | 109.9 | ||||
| 1010 | D | 29.6 | Very low | 41.7 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -164.8 | 61.1 | 165.2 | -108.2 | -12.3 | 0 | 0 | 0 | 112.8 | ||||
| 1011 | V | 34.8 | Very low | 44.4 | Very low | 127 Ų | 127 | 119 Ų | 119 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -138.4 | 106.3 | 147.8 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | S1013 | V1011-S1013 PolarHBondContact O-N 2.88Š| ||
| 1012 | T | 30.6 | Very low | 47.2 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 83% | 0.828 | 66% | 0.66 | S | S | * | * | trans | -64 | 68.3 | 172 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | S1014 | T1012-S1014 PolarHBondContact O-N 3.23Å; T1012-S1014 VanDerWaalsContact O-N 3.16Å | ||
| 1013 | S | 37.7 | Very low | 50.3 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | trans | -73.1 | 99.8 | 157.8 | -66.2 | 0 | 0 | 0 | 0 | 105.9 | V1011 L1015 | V1011-S1013 PolarHBondContact O-N 2.88Å; S1013-L1015 PolarHBondContact O-N 3.42Å | ||
| 1014 | S | 42.7 | Very low | 53.4 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -43.8 | 104.1 | 170 | 35.3 | 0 | 0 | 0 | 0 | 109.5 | T1012 I1016 | T1012-S1014 PolarHBondContact O-N 3.23Å; T1012-S1014 VanDerWaalsContact O-N 3.16Å; S1014-I1016 VanDerWaalsContact C-N 3.3Å; S1014-I1016 PolarHBondContact O-N 3.16Å | ||
| 1015 | L | 45.9 | Very low | 56.5 | Low | 166 Ų | 166 | 99.2 Ų | 99.2 | 87% | 0.869 | 57% | 0.566 | S | S | * | * | trans | -64.5 | 94 | 174.6 | -81.3 | 158.6 | 0 | 0 | 0 | 107.5 | S1013 S1017 | S1013-L1015 PolarHBondContact O-N 3.42Å; L1015-S1017 PolarHBondContact O-N 3.48Å; L1015-S1017 VanDerWaalsContact O-N 3.08Å | ||
| 1016 | I | 55.9 | Low | 59.6 | Low | 107 Ų | 107 | 90.1 Ų | 90.1 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | trans | -65.7 | 108.4 | 171.6 | -61.2 | 172.4 | 0 | 0 | 0 | 106.7 | K959 S1014 V1018 | K959-I1016 HydrophobicContact CG-CG2 4.01Å; S1014-I1016 VanDerWaalsContact C-N 3.3Å; S1014-I1016 PolarHBondContact O-N 3.16Å; I1016-V1018 HydrophobicContact CG2-CG2 3.97Å; I1016-V1018 PolarHBondContact O-N 2.88Å | ||
| 1017 | S | 65.3 | Low | 62.8 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | trans | -78.5 | 116.7 | 167.3 | 65.6 | 0 | 0 | 0 | 0 | 108.8 | S960 L1015 | S960-S1017 PolarHBondContact OG-O 3.48Å; S960-S1017 PolarHBondContact OG-OG 3.2Å; L1015-S1017 PolarHBondContact O-N 3.48Å; L1015-S1017 VanDerWaalsContact O-N 3.08Å | ||
| 1018 | V | 70.7 | Confident | 66 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -100.2 | 124.9 | 171.4 | -169.4 | 0 | 0 | 0 | 0 | 107.6 | F958 K959 I1016 V1020 | F958-V1018 HydrophobicContact CB-CG1 4.28Å; K959-V1018 HydrophobicContact CG-CG2 4.12Å; I1016-V1018 HydrophobicContact CG2-CG2 3.97Å; I1016-V1018 PolarHBondContact O-N 2.88Å; V1018-V1020 HydrophobicContact CB-CG2 4.38Å; V1018-V1020 HydrophobicContact CG1-CG2 3.49Å; V1018-V1020 VanDerWaalsContact CG1-CG2 3.49Å |
| 1019 | N | 81.5 | Confident | 69.3 | Low | 127 Ų | 127 | 69.4 Ų | 69.4 | 68% | 0.679 | 41% | 0.41 | S | S | * | . | trans | -105.7 | 94.6 | 177.4 | -174.7 | 15.9 | 0 | 0 | 0 | 109.4 | F958 | F958-N1019 WeakPolarHBondContact CB-O 3.23Å; F958-N1019 PolarHBondContact O-N 2.92Å | ||
| 1020 | V | 86.1 | Confident | 72.2 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | trans | -100.6 | 139.8 | -174 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | L955 F958 V1018 A1022 L1024 L1025 | L955-V1020 HydrophobicContact CD2-CG1 4.48Å; L955-V1020 HydrophobicContact CG-CG1 4.07Å; F958-V1020 HydrophobicContact CB-CG2 4.3Å; V1018-V1020 HydrophobicContact CB-CG2 4.38Å; V1018-V1020 HydrophobicContact CG1-CG2 3.49Å; V1018-V1020 VanDerWaalsContact CG1-CG2 3.49Å; V1020-A1022 PolarHBondContact O-N 3.5Å; V1020-L1024 HydrophobicContact CG1-CB 4.17Å; V1020-L1024 HydrophobicContact CG1-CD2 3.99Å; V1020-L1024 HydrophobicContact CG1-CG 4.15Å; V1020-L1025 HydrophobicContact CG1-CB 4.37Å | ||
| 1021 | P | 89.4 | Confident | 75.5 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | trans | -56.2 | 136.7 | 170.3 | -24.6 | 33.9 | 0 | 0 | 0 | 112.4 | F958 F1023 L1024 L1025 | F958-P1021 HydrophobicContact CD1-CG 4.19Å; F958-P1021 HydrophobicContact CE1-CG 3.69Å; F958-P1021 HydrophobicContact CZ-CG 4Å; P1021-F1023 VanDerWaalsContact C-N 3.33Å; P1021-F1023 HydrophobicContact CB-CD1 3.74Å; P1021-F1023 HydrophobicContact CB-CE1 3.47Å; P1021-F1023 VanDerWaalsContact CB-CE1 3.47Å; P1021-F1023 HydrophobicContact CB-CZ 4.25Å; P1021-F1023 HydrophobicContact CG-CE1 4.24Å; P1021-F1023 PolarHBondContact O-N 3.43Å; P1021-L1024 HydrophobicContact CB-CB 4.42Å; P1021-L1024 PolarHBondContact O-N 3.04Å; P1021-L1025 PolarHBondContact O-N 3.36Å; P1021-L1025 VanDerWaalsContact O-N 3.13Å | ||
| 1022 | A | 90.3 | Very high | 78.5 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.9 | -44.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1020 L1024 L1025 S1026 D1152 V1155 | V1020-A1022 PolarHBondContact O-N 3.5Å; A1022-L1024 VanDerWaalsContact C-N 3.29Å; A1022-L1024 PolarHBondContact O-N 2.89Å; A1022-L1025 PolarHBondContact O-N 2.85Å; A1022-S1026 WeakPolarHBondContact O-CB 3.41Å; A1022-S1026 PolarHBondContact O-N 3.32Å; A1022-S1026 PolarHBondContact O-OG 3.03Å; A1022-D1152 HydrophobicContact CB-CB 3.91Å; A1022-D1152 WeakPolarHBondContact CB-OD2 3.38Å; A1022-V1155 HydrophobicContact CB-CG2 3.95Å; A1022-V1155 VanDerWaalsContact O-CG2 3.3Å; A1022-V1155 WeakPolarHBondContact O-CG2 3.39Å |
| 1023 | F | 91.1 | Very high | 81.6 | Confident | 63 Ų | 63 | 45 Ų | 45 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 178.8 | 78.7 | -94.5 | 0 | 0 | 0 | 113.3 | P917 P1021 S1026 R1027 | P917-F1023 HydrophobicContact CB-CE1 4.38Å; P917-F1023 HydrophobicContact CB-CZ 4.27Å; P1021-F1023 VanDerWaalsContact C-N 3.33Å; P1021-F1023 HydrophobicContact CB-CD1 3.74Å; P1021-F1023 HydrophobicContact CB-CE1 3.47Å; P1021-F1023 VanDerWaalsContact CB-CE1 3.47Å; P1021-F1023 HydrophobicContact CB-CZ 4.25Å; P1021-F1023 HydrophobicContact CG-CE1 4.24Å; P1021-F1023 PolarHBondContact O-N 3.43Å; F1023-S1026 WeakPolarHBondContact CA-OG 3.27Å; F1023-S1026 PolarHBondContact O-OG 3.46Å; F1023-R1027 WeakPolarHBondContact O-CB 3.43Å; F1023-R1027 WeakPolarHBondContact O-CG 3.41Å; F1023-R1027 PolarHBondContact O-N 3.44Å; F1023-R1027 VanDerWaalsContact O-N 3.11Å |
| 1024 | L | 92.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.7 | -41.8 | -179.5 | 176.6 | 59 | 0 | 0 | 0 | 109.8 | V914 L955 F958 V1020 P1021 A1022 R1027 F1028 | V914-L1024 HydrophobicContact CG1-CD1 4.42Å; V914-L1024 HydrophobicContact CG2-CD1 3.93Å; L955-L1024 HydrophobicContact CD1-CD1 3.99Å; L955-L1024 HydrophobicContact CD1-CD2 4.2Å; L955-L1024 HydrophobicContact CD1-CG 3.84Å; L955-L1024 HydrophobicContact CG-CD2 4.3Å; L955-L1024 HydrophobicContact CG-CG 4.14Å; F958-L1024 HydrophobicContact CD2-CD2 3.99Å; F958-L1024 HydrophobicContact CE2-CD2 3.36Å; F958-L1024 HydrophobicContact CZ-CD2 4.08Å; V1020-L1024 HydrophobicContact CG1-CB 4.17Å; V1020-L1024 HydrophobicContact CG1-CD2 3.99Å; V1020-L1024 HydrophobicContact CG1-CG 4.15Å; P1021-L1024 HydrophobicContact CB-CB 4.42Å; P1021-L1024 PolarHBondContact O-N 3.04Å; A1022-L1024 VanDerWaalsContact C-N 3.29Å; A1022-L1024 PolarHBondContact O-N 2.89Å; L1024-R1027 PolarHBondContact O-N 3.02Å; L1024-F1028 WeakPolarHBondContact O-CB 3.36Å; L1024-F1028 PolarHBondContact O-N 3.08Å |
| 1025 | L | 93.4 | Very high | 87.1 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.3 | 179 | 57.7 | 0 | 0 | 0 | 111.3 | L955 V1020 P1021 A1022 R1027 F1028 L1029 F1139 F1150 V1155 | L955-L1025 HydrophobicContact CD2-CD1 4.23Å; V1020-L1025 HydrophobicContact CG1-CB 4.37Å; P1021-L1025 PolarHBondContact O-N 3.36Å; P1021-L1025 VanDerWaalsContact O-N 3.13Å; A1022-L1025 PolarHBondContact O-N 2.85Å; L1025-R1027 PolarHBondContact O-N 2.89Å; L1025-F1028 PolarHBondContact O-N 3.27Å; L1025-L1029 HydrophobicContact CD1-CD1 4.06Å; L1025-L1029 HydrophobicContact CD1-CG 4.16Å; L1025-L1029 HydrophobicContact CG-CD1 3.9Å; L1025-L1029 HydrophobicContact CG-CG 4.48Å; L1025-L1029 WeakPolarHBondContact O-CB 3.38Å; L1025-L1029 WeakPolarHBondContact O-CD1 3.25Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.49Å; L1025-L1029 PolarHBondContact O-N 2.91Å; L1025-F1139 HydrophobicContact CD1-CE1 3.89Å; L1025-F1139 HydrophobicContact CD1-CZ 3.67Å; L1025-F1150 HydrophobicContact CD2-CD1 4.14Å; L1025-F1150 HydrophobicContact CD2-CE1 4.09Å; L1025-V1155 HydrophobicContact CB-CG2 4.39Å; L1025-V1155 HydrophobicContact CD2-CG1 3.88Å; L1025-V1155 HydrophobicContact CD2-CG2 4.35Å; L1025-V1155 HydrophobicContact CG-CG1 4.17Å; L1025-V1155 HydrophobicContact CG-CG2 4.4Å |
| 1026 | S | 94.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 179 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | A1022 F1023 L1029 A1030 T1154 S1158 | A1022-S1026 WeakPolarHBondContact O-CB 3.41Å; A1022-S1026 PolarHBondContact O-N 3.32Å; A1022-S1026 PolarHBondContact O-OG 3.03Å; F1023-S1026 WeakPolarHBondContact CA-OG 3.27Å; F1023-S1026 PolarHBondContact O-OG 3.46Å; S1026-L1029 PolarHBondContact O-N 2.92Å; S1026-A1030 WeakPolarHBondContact O-CB 3.49Å; S1026-A1030 PolarHBondContact O-N 3.46Å; S1026-T1154 PolarHBondContact OG-OG1 3.29Å; S1026-S1158 WeakPolarHBondContact O-CB 3.48Å; S1026-S1158 PolarHBondContact O-OG 3.06Å |
| 1027 | R | 95.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 172.9 | -74.3 | 175 | -171.6 | 164.1 | 5.1 | 113 | V914 Q916 Q919 W922 V923 F1023 L1024 L1025 A1030 L1031 | V914-R1027 HydrophobicContact CG2-CB 4.14Å; V914-R1027 PolarHBondContact O-NH1 2.82Å; Q916-R1027 PolarHBondContact O-NH1 3.36Å; Q916-R1027 PolarHBondContact O-NH2 3.03Å; Q919-R1027 PolarHBondContact O-NH2 3.33Å; W922-R1027 HydrophobicContact CD2-CG 4.1Å; W922-R1027 HydrophobicContact CE3-CB 3.79Å; W922-R1027 HydrophobicContact CE3-CG 3.5Å; W922-R1027 VanDerWaalsContact CE3-CG 3.5Å; W922-R1027 HydrophobicContact CH2-CB 4.15Å; W922-R1027 HydrophobicContact CZ3-CB 3.58Å; W922-R1027 HydrophobicContact CZ3-CG 3.85Å; V923-R1027 HydrophobicContact CG2-CG 4.45Å; F1023-R1027 WeakPolarHBondContact O-CB 3.43Å; F1023-R1027 WeakPolarHBondContact O-CG 3.41Å; F1023-R1027 PolarHBondContact O-N 3.44Å; F1023-R1027 VanDerWaalsContact O-N 3.11Å; L1024-R1027 PolarHBondContact O-N 3.02Å; L1025-R1027 PolarHBondContact O-N 2.89Å; R1027-A1030 PolarHBondContact O-N 3.33Å; R1027-L1031 VanDerWaalsContact O-CB 3.31Å; R1027-L1031 WeakPolarHBondContact O-CB 3.37Å; R1027-L1031 PolarHBondContact O-N 3.21Å |
| 1028 | F | 95.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.7 | -176.7 | -120.6 | 0 | 0 | 0 | 111.6 | L948 T951 A952 L955 L1024 L1025 L1031 I1032 L1136 F1139 | L948-F1028 HydrophobicContact CD2-CE2 4.33Å; T951-F1028 HydrophobicContact CG2-CB 4.48Å; T951-F1028 HydrophobicContact CG2-CD2 3.56Å; T951-F1028 HydrophobicContact CG2-CE2 4.26Å; T951-F1028 HydrophobicContact CG2-CG 4.42Å; A952-F1028 HydrophobicContact CB-CE2 4.03Å; A952-F1028 HydrophobicContact CB-CZ 3.76Å; L955-F1028 HydrophobicContact CD1-CB 3.93Å; L955-F1028 HydrophobicContact CD1-CD1 4.42Å; L955-F1028 HydrophobicContact CD1-CD2 4.32Å; L955-F1028 HydrophobicContact CD1-CG 3.98Å; L955-F1028 HydrophobicContact CD2-CB 3.93Å; L955-F1028 HydrophobicContact CD2-CD1 3.46Å; L955-F1028 VanDerWaalsContact CD2-CD1 3.46Å; L955-F1028 HydrophobicContact CD2-CE1 4.12Å; L955-F1028 HydrophobicContact CD2-CG 3.81Å; L1024-F1028 WeakPolarHBondContact O-CB 3.36Å; L1024-F1028 PolarHBondContact O-N 3.08Å; L1025-F1028 PolarHBondContact O-N 3.27Å; F1028-L1031 HydrophobicContact CD2-CD2 4.47Å; F1028-L1031 WeakPolarHBondContact O-CB 3.37Å; F1028-L1031 PolarHBondContact O-N 2.87Å; F1028-I1032 HydrophobicContact CD1-CD1 3.84Å; F1028-I1032 HydrophobicContact CE1-CD1 3.62Å; F1028-I1032 HydrophobicContact CE1-CG1 4.46Å; F1028-I1032 HydrophobicContact CE2-CD1 4.41Å; F1028-I1032 HydrophobicContact CE2-CG1 4.42Å; F1028-I1032 HydrophobicContact CG-CD1 4.35Å; F1028-I1032 HydrophobicContact CZ-CD1 3.92Å; F1028-I1032 HydrophobicContact CZ-CG1 4.32Å; F1028-I1032 VanDerWaalsContact O-CG1 3.26Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.22Å; F1028-I1032 PolarHBondContact O-N 3.13Å; F1028-L1136 HydrophobicContact CE1-CD2 4.18Å; F1028-L1136 HydrophobicContact CZ-CD2 3.94Å; F1028-F1139 HydrophobicContact CD1-CE1 4.39Å; F1028-F1139 HydrophobicContact CE1-CE1 4.42Å |
| 1029 | L | 97 | Very high | 94 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.1 | -69.1 | 163.2 | 0 | 0 | 0 | 111.7 | L1025 S1026 L1031 I1032 G1033 F1139 V1140 V1143 V1155 A1159 A1162 | L1025-L1029 HydrophobicContact CD1-CD1 4.06Å; L1025-L1029 HydrophobicContact CD1-CG 4.16Å; L1025-L1029 HydrophobicContact CG-CD1 3.9Å; L1025-L1029 HydrophobicContact CG-CG 4.48Å; L1025-L1029 WeakPolarHBondContact O-CB 3.38Å; L1025-L1029 WeakPolarHBondContact O-CD1 3.25Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.49Å; L1025-L1029 PolarHBondContact O-N 2.91Å; S1026-L1029 PolarHBondContact O-N 2.92Å; L1029-L1031 VanDerWaalsContact C-N 3.3Å; L1029-L1031 PolarHBondContact O-N 2.99Å; L1029-I1032 PolarHBondContact O-N 3.29Å; L1029-G1033 PolarHBondContact O-N 3.14Å; L1029-F1139 HydrophobicContact CD2-CD1 4.29Å; L1029-F1139 HydrophobicContact CD2-CE1 4.01Å; L1029-V1140 HydrophobicContact CD2-CG2 3.78Å; L1029-V1143 HydrophobicContact CD1-CG1 4.37Å; L1029-V1155 HydrophobicContact CD1-CG1 3.85Å; L1029-A1159 HydrophobicContact CD1-CB 3.95Å; L1029-A1159 HydrophobicContact CD2-CB 4.45Å; L1029-A1162 VanDerWaalsContact O-CB 3.29Å; L1029-A1162 WeakPolarHBondContact O-CB 3.31Å |
| 1030 | A | 96.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 12% | 0.116 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V923 M926 S1026 R1027 G1033 H1034 | V923-A1030 HydrophobicContact CG2-CB 4.35Å; M926-A1030 HydrophobicContact CE-CB 4.28Å; S1026-A1030 WeakPolarHBondContact O-CB 3.49Å; S1026-A1030 PolarHBondContact O-N 3.46Å; R1027-A1030 PolarHBondContact O-N 3.33Å; A1030-G1033 PolarHBondContact O-N 3.29Å; A1030-H1034 WeakPolarHBondContact O-CB 3.4Å; A1030-H1034 PolarHBondContact O-N 3.43Å |
| 1031 | L | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 175.6 | -179.9 | 66.9 | 0 | 0 | 0 | 111.9 | W922 M926 I930 L947 L948 T951 R1027 F1028 L1029 G1033 H1034 I1035 | W922-L1031 HydrophobicContact CH2-CB 4.46Å; M926-L1031 HydrophobicContact CG-CD1 3.97Å; M926-L1031 HydrophobicContact SD-CD1 3.99Å; I930-L1031 HydrophobicContact CD1-CD1 3.45Å; I930-L1031 VanDerWaalsContact CD1-CD1 3.45Å; L947-L1031 HydrophobicContact CD2-CD1 3.92Å; L947-L1031 HydrophobicContact CG-CD1 4.47Å; L947-L1031 HydrophobicContact CG-CD2 4.26Å; L948-L1031 HydrophobicContact CD2-CD2 4.21Å; L948-L1031 HydrophobicContact CD2-CG 4.18Å; T951-L1031 HydrophobicContact CG2-CD2 4.07Å; R1027-L1031 VanDerWaalsContact O-CB 3.31Å; R1027-L1031 WeakPolarHBondContact O-CB 3.37Å; R1027-L1031 PolarHBondContact O-N 3.21Å; F1028-L1031 HydrophobicContact CD2-CD2 4.47Å; F1028-L1031 WeakPolarHBondContact O-CB 3.37Å; F1028-L1031 PolarHBondContact O-N 2.87Å; L1029-L1031 VanDerWaalsContact C-N 3.3Å; L1029-L1031 PolarHBondContact O-N 2.99Å; L1031-G1033 PolarHBondContact O-N 2.9Å; L1031-H1034 PolarHBondContact O-N 2.96Å; L1031-I1035 HydrophobicContact CD1-CD1 3.64Å; L1031-I1035 HydrophobicContact CD1-CG1 4.11Å; L1031-I1035 HydrophobicContact CG-CD1 3.8Å; L1031-I1035 WeakPolarHBondContact O-CB 3.47Å; L1031-I1035 VanDerWaalsContact O-CG1 3.3Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.33Å; L1031-I1035 PolarHBondContact O-N 3.49Å |
| 1032 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.7 | -51 | 177.2 | -66.1 | 163 | 0 | 0 | 0 | 110.5 | L948 F1028 L1029 H1034 T1036 L1136 V1140 M1166 | L948-I1032 HydrophobicContact CD2-CG1 3.93Å; F1028-I1032 HydrophobicContact CD1-CD1 3.84Å; F1028-I1032 HydrophobicContact CE1-CD1 3.62Å; F1028-I1032 HydrophobicContact CE1-CG1 4.46Å; F1028-I1032 HydrophobicContact CE2-CD1 4.41Å; F1028-I1032 HydrophobicContact CE2-CG1 4.42Å; F1028-I1032 HydrophobicContact CG-CD1 4.35Å; F1028-I1032 HydrophobicContact CZ-CD1 3.92Å; F1028-I1032 HydrophobicContact CZ-CG1 4.32Å; F1028-I1032 VanDerWaalsContact O-CG1 3.26Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.22Å; F1028-I1032 PolarHBondContact O-N 3.13Å; L1029-I1032 PolarHBondContact O-N 3.29Å; I1032-H1034 PolarHBondContact O-N 3.36Å; I1032-T1036 WeakPolarHBondContact O-CB 3.5Å; I1032-T1036 PolarHBondContact O-N 3.36Å; I1032-T1036 PolarHBondContact O-OG1 2.72Å; I1032-L1136 HydrophobicContact CD1-CB 4.31Å; I1032-L1136 HydrophobicContact CD1-CD2 3.89Å; I1032-L1136 HydrophobicContact CD1-CG 4.46Å; I1032-L1136 HydrophobicContact CG1-CD1 4.21Å; I1032-L1136 HydrophobicContact CG1-CD2 4.44Å; I1032-L1136 HydrophobicContact CG2-CB 4.1Å; I1032-V1140 HydrophobicContact CD1-CG2 4.34Å; I1032-V1140 HydrophobicContact CG2-CG2 4.17Å; I1032-M1166 HydrophobicContact CG2-CE 4.16Å; I1032-M1166 HydrophobicContact CG2-SD 3.84Å |
| 1033 | G | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1029 A1030 L1031 T1036 L1037 K1165 | L1029-G1033 PolarHBondContact O-N 3.14Å; A1030-G1033 PolarHBondContact O-N 3.29Å; L1031-G1033 PolarHBondContact O-N 2.9Å; G1033-T1036 PolarHBondContact O-N 3.37Å; G1033-L1037 PolarHBondContact O-N 3Å; G1033-K1165 WeakPolarHBondContact O-CB 3.4Å; G1033-K1165 WeakPolarHBondContact O-CD 3.46Å |
| 1034 | H | 97.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | -176.7 | -162.7 | 64.2 | 0 | 0 | 0 | 113.2 | M926 E927 A1030 L1031 I1032 T1036 L1037 K1038 K1165 | M926-H1034 HydrophobicContact CE-CB 4.28Å; M926-H1034 HydrophobicContact SD-CB 4.18Å; E927-H1034 VanDerWaalsContact CA-NE2 3.34Å; E927-H1034 WeakPolarHBondContact CA-NE2 3.43Å; E927-H1034 PolarHBondContact O-NE2 3.18Å; E927-H1034 IonicContact OE1-ND1 3.14Å; A1030-H1034 WeakPolarHBondContact O-CB 3.4Å; A1030-H1034 PolarHBondContact O-N 3.43Å; L1031-H1034 PolarHBondContact O-N 2.96Å; I1032-H1034 PolarHBondContact O-N 3.36Å; H1034-T1036 VanDerWaalsContact C-N 3.31Å; H1034-T1036 PolarHBondContact O-N 3.13Å; H1034-L1037 PolarHBondContact O-N 3.48Å; H1034-K1038 WeakPolarHBondContact O-CB 3.43Å; H1034-K1038 WeakPolarHBondContact O-CG 3.41Å; H1034-K1038 PolarHBondContact O-N 3.05Å; H1034-K1165 PolarHBondContact ND1-NZ 3Å |
| 1035 | I | 97.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.9 | -73.2 | 174.6 | 0 | 0 | 0 | 110.2 | I930 Y934 M944 L947 L948 L1031 L1037 K1038 Q1039 | I930-I1035 HydrophobicContact CD1-CD1 4.26Å; I930-I1035 HydrophobicContact CD1-CG1 3.74Å; Y934-I1035 PolarHBondContact OH-O 2.86Å; M944-I1035 HydrophobicContact CB-CD1 4.1Å; M944-I1035 HydrophobicContact CB-CG1 4.45Å; M944-I1035 HydrophobicContact CB-CG2 3.82Å; M944-I1035 HydrophobicContact CG-CD1 4.28Å; M944-I1035 HydrophobicContact CG-CG1 4.21Å; M944-I1035 HydrophobicContact CG-CG2 4.02Å; M944-I1035 HydrophobicContact SD-CD1 3.73Å; M944-I1035 HydrophobicContact SD-CG1 3.72Å; L947-I1035 HydrophobicContact CD2-CD1 4.45Å; L948-I1035 HydrophobicContact CD1-CD1 4.15Å; L948-I1035 HydrophobicContact CD1-CG2 4.29Å; L948-I1035 HydrophobicContact CD2-CD1 3.84Å; L948-I1035 HydrophobicContact CG-CD1 3.7Å; L1031-I1035 HydrophobicContact CD1-CD1 3.64Å; L1031-I1035 HydrophobicContact CD1-CG1 4.11Å; L1031-I1035 HydrophobicContact CG-CD1 3.8Å; L1031-I1035 WeakPolarHBondContact O-CB 3.47Å; L1031-I1035 VanDerWaalsContact O-CG1 3.3Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.33Å; L1031-I1035 PolarHBondContact O-N 3.49Å; I1035-L1037 PolarHBondContact O-N 3.09Å; I1035-K1038 PolarHBondContact O-N 3.45Å; I1035-Q1039 WeakPolarHBondContact O-CB 3.26Å; I1035-Q1039 PolarHBondContact O-N 3.42Å |
| 1036 | T | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | -178.9 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | I1032 G1033 H1034 Q1039 L1040 L1133 M1166 V1169 | I1032-T1036 WeakPolarHBondContact O-CB 3.5Å; I1032-T1036 PolarHBondContact O-N 3.36Å; I1032-T1036 PolarHBondContact O-OG1 2.72Å; G1033-T1036 PolarHBondContact O-N 3.37Å; H1034-T1036 VanDerWaalsContact C-N 3.31Å; H1034-T1036 PolarHBondContact O-N 3.13Å; T1036-Q1039 PolarHBondContact O-N 2.96Å; T1036-L1040 PolarHBondContact O-N 3.35Å; T1036-L1133 HydrophobicContact CG2-CD1 4.46Å; T1036-M1166 HydrophobicContact CG2-CB 4.31Å; T1036-M1166 HydrophobicContact CG2-CG 3.92Å; T1036-V1169 HydrophobicContact CG2-CG2 3.47Å; T1036-V1169 VanDerWaalsContact CG2-CG2 3.47Å |
| 1037 | L | 95.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.225 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.5 | 178 | 62.6 | 0 | 0 | 0 | 112.1 | G1033 H1034 I1035 L1040 V1041 K1165 L1168 | G1033-L1037 PolarHBondContact O-N 3Å; H1034-L1037 PolarHBondContact O-N 3.48Å; I1035-L1037 PolarHBondContact O-N 3.09Å; L1037-L1040 WeakPolarHBondContact O-CB 3.46Å; L1037-L1040 PolarHBondContact O-N 2.99Å; L1037-V1041 HydrophobicContact CD1-CG2 4.47Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.48Å; L1037-V1041 PolarHBondContact O-N 2.89Å; L1037-K1165 HydrophobicContact CB-CB 4.14Å; L1037-K1165 HydrophobicContact CB-CD 4.08Å; L1037-K1165 HydrophobicContact CB-CG 4.16Å; L1037-K1165 HydrophobicContact CD2-CD 3.98Å; L1037-K1165 HydrophobicContact CD2-CG 4.07Å; L1037-L1168 HydrophobicContact CD1-CD1 3.84Å |
| 1038 | K | 95.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 24.4 Ų | 24.4 | 22% | 0.222 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 180 | -72.8 | -74.7 | -178 | 173.5 | 0 | 112.1 | I930 S931 Y934 H1034 I1035 V1041 F1042 | I930-K1038 HydrophobicContact CG2-CB 4.33Å; I930-K1038 HydrophobicContact CG2-CG 4.13Å; S931-K1038 PolarHBondContact OG-NZ 3.41Å; Y934-K1038 HydrophobicContact CD2-CB 3.51Å; Y934-K1038 HydrophobicContact CD2-CG 4.3Å; Y934-K1038 HydrophobicContact CE2-CB 3.45Å; Y934-K1038 VanDerWaalsContact CE2-CB 3.45Å; Y934-K1038 HydrophobicContact CG-CB 4.08Å; H1034-K1038 WeakPolarHBondContact O-CB 3.43Å; H1034-K1038 WeakPolarHBondContact O-CG 3.41Å; H1034-K1038 PolarHBondContact O-N 3.05Å; I1035-K1038 PolarHBondContact O-N 3.45Å; K1038-V1041 PolarHBondContact O-N 3.39Å; K1038-F1042 WeakPolarHBondContact O-CB 3.44Å; K1038-F1042 PolarHBondContact O-N 3.02Å |
| 1039 | Q | 95.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 172 | -171.4 | 63.5 | 33.2 | 0 | 0 | 111.1 | Y934 I1035 T1036 F1042 M1043 L1125 | Y934-Q1039 HydrophobicContact CE1-CB 4.41Å; Y934-Q1039 VanDerWaalsContact CE1-OE1 3.24Å; Y934-Q1039 WeakPolarHBondContact OH-CB 3.5Å; Y934-Q1039 PolarHBondContact OH-OE1 3.09Å; I1035-Q1039 WeakPolarHBondContact O-CB 3.26Å; I1035-Q1039 PolarHBondContact O-N 3.42Å; T1036-Q1039 PolarHBondContact O-N 2.96Å; Q1039-F1042 WeakPolarHBondContact O-CB 3.41Å; Q1039-F1042 PolarHBondContact O-N 2.85Å; Q1039-M1043 VanDerWaalsContact O-CG 3.31Å; Q1039-M1043 WeakPolarHBondContact O-CG 3.03Å; Q1039-M1043 PolarHBondContact O-N 3.32Å; Q1039-L1125 HydrophobicContact CG-CD1 4.48Å; Q1039-L1125 HydrophobicContact CG-CD2 4.08Å |
| 1040 | L | 94.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.5 | -54.6 | 175.6 | 177.2 | 62.7 | 0 | 0 | 0 | 111.2 | T1036 L1037 F1042 M1043 E1044 C1121 L1168 V1169 | T1036-L1040 PolarHBondContact O-N 3.35Å; L1037-L1040 WeakPolarHBondContact O-CB 3.46Å; L1037-L1040 PolarHBondContact O-N 2.99Å; L1040-F1042 VanDerWaalsContact C-N 3.26Å; L1040-F1042 PolarHBondContact O-N 2.81Å; L1040-M1043 PolarHBondContact O-N 3.45Å; L1040-E1044 HydrophobicContact CD1-CG 4.29Å; L1040-E1044 WeakPolarHBondContact O-CG 3.33Å; L1040-E1044 PolarHBondContact O-N 3.45Å; L1040-C1121 HydrophobicContact CD1-CB 4.45Å; L1040-L1168 HydrophobicContact CD2-CB 3.83Å; L1040-L1168 WeakPolarHBondContact CD2-O 3.46Å; L1040-V1169 HydrophobicContact CB-CG2 4.41Å; L1040-V1169 HydrophobicContact CD2-CG2 4.4Å |
| 1041 | V | 93.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 30 Ų | 30 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L1037 K1038 S1045 | L1037-V1041 HydrophobicContact CD1-CG2 4.47Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.48Å; L1037-V1041 PolarHBondContact O-N 2.89Å; K1038-V1041 PolarHBondContact O-N 3.39Å; V1041-S1045 WeakPolarHBondContact O-CB 3.28Å; V1041-S1045 PolarHBondContact O-N 3.47Å |
| 1042 | F | 93 | Very high | 92.3 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -64.1 | -43.8 | 177.6 | 177.6 | -103 | 0 | 0 | 0 | 112.4 | Y934 P940 K1038 Q1039 L1040 A1046 V1047 | Y934-F1042 HydrophobicContact CD1-CB 3.55Å; Y934-F1042 HydrophobicContact CD1-CD1 4.38Å; Y934-F1042 AromaticContact CD1-CD2 3.93Å; Y934-F1042 HydrophobicContact CD1-CD2 3.93Å; Y934-F1042 AromaticContact CD1-CG 3.7Å; Y934-F1042 HydrophobicContact CD1-CG 3.7Å; Y934-F1042 HydrophobicContact CE1-CB 3.83Å; Y934-F1042 HydrophobicContact CE1-CD1 4.38Å; Y934-F1042 HydrophobicContact CE1-CG 4.07Å; P940-F1042 HydrophobicContact CG-CD1 4.22Å; P940-F1042 HydrophobicContact CG-CD2 4.28Å; P940-F1042 HydrophobicContact CG-CE1 3.86Å; P940-F1042 HydrophobicContact CG-CE2 3.95Å; P940-F1042 HydrophobicContact CG-CG 4.42Å; P940-F1042 HydrophobicContact CG-CZ 3.72Å; K1038-F1042 WeakPolarHBondContact O-CB 3.44Å; K1038-F1042 PolarHBondContact O-N 3.02Å; Q1039-F1042 WeakPolarHBondContact O-CB 3.41Å; Q1039-F1042 PolarHBondContact O-N 2.85Å; L1040-F1042 VanDerWaalsContact C-N 3.26Å; L1040-F1042 PolarHBondContact O-N 2.81Å; F1042-A1046 HydrophobicContact CD2-CB 3.63Å; F1042-A1046 HydrophobicContact CE2-CB 3.77Å; F1042-A1046 HydrophobicContact CG-CB 4.4Å; F1042-A1046 WeakPolarHBondContact O-CA 3.45Å; F1042-A1046 WeakPolarHBondContact O-CB 3.38Å; F1042-A1046 PolarHBondContact O-N 3.38Å; F1042-V1047 HydrophobicContact CD1-CG2 3.88Å; F1042-V1047 HydrophobicContact CE1-CG2 3.54Å; F1042-V1047 HydrophobicContact CZ-CG2 4.03Å; F1042-V1047 PolarHBondContact O-N 3.46Å |
| 1043 | M | 92.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -62.9 | -48.3 | 177 | -68.2 | -59.1 | -61.5 | 0 | 0 | 111.4 | Q1039 L1040 V1047 L1048 I1117 I1120 | Q1039-M1043 VanDerWaalsContact O-CG 3.31Å; Q1039-M1043 WeakPolarHBondContact O-CG 3.03Å; Q1039-M1043 PolarHBondContact O-N 3.32Å; L1040-M1043 PolarHBondContact O-N 3.45Å; M1043-V1047 HydrophobicContact CE-CG1 4.44Å; M1043-V1047 WeakPolarHBondContact O-CB 3.4Å; M1043-V1047 HydrophobicContact SD-CG2 3.94Å; M1043-L1048 PolarHBondContact O-N 2.89Å; M1043-L1048 VanDerWaalsContact O-N 3.09Å; M1043-I1117 HydrophobicContact CB-CG2 4.09Å; M1043-I1117 HydrophobicContact CE-CD1 3.93Å; M1043-I1120 HydrophobicContact CE-CB 4.36Å; M1043-I1120 HydrophobicContact CE-CD1 4.08Å; M1043-I1120 HydrophobicContact CE-CG2 3.79Å |
| 1044 | E | 90.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -79.5 | -27.7 | -172.8 | -65 | -169.3 | 137.5 | 0 | 0 | 114.9 | L1040 L1048 I1117 R1207 | L1040-E1044 HydrophobicContact CD1-CG 4.29Å; L1040-E1044 WeakPolarHBondContact O-CG 3.33Å; L1040-E1044 PolarHBondContact O-N 3.45Å; E1044-L1048 WeakPolarHBondContact O-CB 3.31Å; E1044-L1048 WeakPolarHBondContact O-CD2 3.31Å; E1044-I1117 HydrophobicContact CG-CG2 4.08Å; E1044-R1207 IonicContact OE1-CZ 3.16Å; E1044-R1207 IonicContact OE1-NH1 2.79Å; E1044-R1207 PolarHBondContact OE1-NH1 3.39Å; E1044-R1207 IonicContact OE1-NH2 3.84Å; E1044-R1207 PolarHBondContact OE1-NH2 3.46Å; E1044-R1207 IonicContact OE2-CZ 2.7Å; E1044-R1207 IonicContact OE2-NH1 2.96Å; E1044-R1207 PolarHBondContact OE2-NH1 3.47Å; E1044-R1207 IonicContact OE2-NH2 3.29Å |
| 1045 | S | 89.3 | Confident | 90.5 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -99.2 | -63.9 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | V1041 T1049 | V1041-S1045 WeakPolarHBondContact O-CB 3.28Å; V1041-S1045 PolarHBondContact O-N 3.47Å; S1045-T1049 WeakPolarHBondContact O-CB 3.35Å; S1045-T1049 PolarHBondContact O-N 3.04Å; S1045-T1049 PolarHBondContact O-OG1 2.83Å |
| 1046 | A | 88.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -75 | -46.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1042 E1050 | F1042-A1046 HydrophobicContact CD2-CB 3.63Å; F1042-A1046 HydrophobicContact CE2-CB 3.77Å; F1042-A1046 HydrophobicContact CG-CB 4.4Å; F1042-A1046 WeakPolarHBondContact O-CA 3.45Å; F1042-A1046 WeakPolarHBondContact O-CB 3.38Å; F1042-A1046 PolarHBondContact O-N 3.38Å; A1046-E1050 WeakPolarHBondContact O-CB 3.49Å; A1046-E1050 PolarHBondContact O-N 3.45Å; A1046-E1050 VanDerWaalsContact O-N 3.08Å |
| 1047 | V | 89.9 | Confident | 89.1 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -71.4 | -45.5 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | F1042 M1043 T1049 E1050 L1051 I1117 | F1042-V1047 HydrophobicContact CD1-CG2 3.88Å; F1042-V1047 HydrophobicContact CE1-CG2 3.54Å; F1042-V1047 HydrophobicContact CZ-CG2 4.03Å; F1042-V1047 PolarHBondContact O-N 3.46Å; M1043-V1047 HydrophobicContact CE-CG1 4.44Å; M1043-V1047 WeakPolarHBondContact O-CB 3.4Å; M1043-V1047 HydrophobicContact SD-CG2 3.94Å; V1047-T1049 PolarHBondContact O-N 3.22Å; V1047-E1050 PolarHBondContact O-N 3.24Å; V1047-E1050 VanDerWaalsContact O-N 3.1Å; V1047-L1051 HydrophobicContact CG1-CD1 4.46Å; V1047-L1051 HydrophobicContact CG1-CG 4.46Å; V1047-L1051 WeakPolarHBondContact O-CG 3.02Å; V1047-L1051 PolarHBondContact O-N 3.47Å; V1047-I1117 HydrophobicContact CB-CD1 4.19Å; V1047-I1117 HydrophobicContact CG1-CD1 3.78Å |
| 1048 | L | 88.3 | Confident | 88.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -48 | 174.7 | -177.4 | 58.7 | 0 | 0 | 0 | 111.8 | M1043 E1044 E1050 L1051 K1052 E1113 A1114 I1117 | M1043-L1048 PolarHBondContact O-N 2.89Å; M1043-L1048 VanDerWaalsContact O-N 3.09Å; E1044-L1048 WeakPolarHBondContact O-CB 3.31Å; E1044-L1048 WeakPolarHBondContact O-CD2 3.31Å; L1048-E1050 VanDerWaalsContact C-N 3.27Å; L1048-E1050 PolarHBondContact O-N 3.44Å; L1048-L1051 PolarHBondContact O-N 3.38Å; L1048-K1052 WeakPolarHBondContact O-CG 3.37Å; L1048-K1052 PolarHBondContact O-N 2.83Å; L1048-E1113 HydrophobicContact CD1-CB 3.73Å; L1048-A1114 HydrophobicContact CD1-CB 4.39Å; L1048-A1114 HydrophobicContact CD2-CB 4.35Å; L1048-I1117 HydrophobicContact CB-CG1 4.27Å; L1048-I1117 HydrophobicContact CD1-CG1 4.19Å |
| 1049 | T | 86.5 | Confident | 87.7 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | S1045 V1047 R1053 | S1045-T1049 WeakPolarHBondContact O-CB 3.35Å; S1045-T1049 PolarHBondContact O-N 3.04Å; S1045-T1049 PolarHBondContact O-OG1 2.83Å; V1047-T1049 PolarHBondContact O-N 3.22Å; T1049-R1053 WeakPolarHBondContact O-CB 3.49Å; T1049-R1053 PolarHBondContact O-N 2.98Å |
| 1050 | E | 86.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -35.3 | 177.3 | 174.9 | 61.2 | -165.2 | 0 | 0 | 112.9 | P893 A1046 V1047 L1048 R1053 R1054 | P893-E1050 VanDerWaalsContact CD-OE2 3.23Å; P893-E1050 WeakPolarHBondContact CD-OE2 3.45Å; A1046-E1050 WeakPolarHBondContact O-CB 3.49Å; A1046-E1050 PolarHBondContact O-N 3.45Å; A1046-E1050 VanDerWaalsContact O-N 3.08Å; V1047-E1050 PolarHBondContact O-N 3.24Å; V1047-E1050 VanDerWaalsContact O-N 3.1Å; L1048-E1050 VanDerWaalsContact C-N 3.27Å; L1048-E1050 PolarHBondContact O-N 3.44Å; E1050-R1053 IonicContact OE1-CZ 3.72Å; E1050-R1053 IonicContact OE1-NE 2.85Å; E1050-R1053 IonicContact OE1-NH2 3.56Å; E1050-R1053 PolarHBondContact OE1-NH2 2.87Å; E1050-R1053 IonicContact OE2-CZ 2.71Å; E1050-R1053 IonicContact OE2-NE 3.59Å; E1050-R1053 PolarHBondContact OE2-NE 3.16Å; E1050-R1053 IonicContact OE2-NH2 3.8Å; E1050-R1053 PolarHBondContact OE2-NH2 2.85Å; E1050-R1054 WeakPolarHBondContact O-CG 3.4Å; E1050-R1054 PolarHBondContact O-N 3.47Å; E1050-R1054 VanDerWaalsContact O-N 3.1Å; E1050-R1054 IonicContact OE1-CZ 3.91Å; E1050-R1054 IonicContact OE1-NE 3.93Å; E1050-R1054 PolarHBondContact OE1-NE 2.77Å; E1050-R1054 IonicContact OE1-NH2 2.8Å; E1050-R1054 PolarHBondContact OE1-NH2 3.43Å; E1050-R1054 VanDerWaalsContact OE1-NH2 3.09Å |
| 1051 | L | 86.6 | Confident | 86.2 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 171.8 | -69.6 | 177.2 | 0 | 0 | 0 | 110.3 | V1047 L1048 R1053 R1054 S1055 E1113 Y1116 I1117 | V1047-L1051 HydrophobicContact CG1-CD1 4.46Å; V1047-L1051 HydrophobicContact CG1-CG 4.46Å; V1047-L1051 WeakPolarHBondContact O-CG 3.02Å; V1047-L1051 PolarHBondContact O-N 3.47Å; L1048-L1051 PolarHBondContact O-N 3.38Å; L1051-R1053 VanDerWaalsContact C-N 3.28Å; L1051-R1053 PolarHBondContact O-N 2.79Å; L1051-R1054 WeakPolarHBondContact O-CA 3.39Å; L1051-R1054 WeakPolarHBondContact O-CB 3.28Å; L1051-R1054 PolarHBondContact O-N 3.06Å; L1051-S1055 PolarHBondContact O-N 3.4Å; L1051-E1113 HydrophobicContact CB-CG 4.46Å; L1051-E1113 WeakPolarHBondContact CB-OE2 3.49Å; L1051-Y1116 HydrophobicContact CD1-CD1 4.18Å; L1051-I1117 HydrophobicContact CD1-CD1 3.94Å; L1051-I1117 HydrophobicContact CD1-CG1 4.23Å |
| 1052 | K | 86.1 | Confident | 85.6 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -45.5 | 176.7 | -70.4 | -173.3 | 177.2 | -159.9 | 0 | 111.9 | L1048 R1054 S1055 L1056 D1110 E1113 | L1048-K1052 WeakPolarHBondContact O-CG 3.37Å; L1048-K1052 PolarHBondContact O-N 2.83Å; K1052-R1054 PolarHBondContact O-N 3.32Å; K1052-S1055 WeakPolarHBondContact O-CB 3.32Å; K1052-S1055 PolarHBondContact O-N 3.04Å; K1052-L1056 WeakPolarHBondContact O-CB 3.48Å; K1052-L1056 WeakPolarHBondContact O-CG 3.41Å; K1052-L1056 PolarHBondContact O-N 3.03Å; K1052-D1110 WeakPolarHBondContact CD-OD1 3.46Å; K1052-D1110 VanDerWaalsContact CE-CG 3.45Å; K1052-D1110 VanDerWaalsContact CE-OD1 3.26Å; K1052-D1110 WeakPolarHBondContact CE-OD1 3.41Å; K1052-D1110 IonicContact NZ-OD1 3.81Å; K1052-D1110 PolarHBondContact NZ-OD1 3.49Å; K1052-D1110 IonicContact NZ-OD2 3.57Å; K1052-D1110 PolarHBondContact NZ-OD2 3.43Å; K1052-E1113 WeakPolarHBondContact CA-OE2 3.36Å; K1052-E1113 WeakPolarHBondContact CG-OE2 3.29Å; K1052-E1113 PolarHBondContact N-OE2 3.38Å |
| 1053 | R | 85.2 | Confident | 84.6 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.4 | -177.6 | -174.6 | 81.2 | 68.5 | 15.7 | 112.3 | S889 L890 L891 T1049 E1050 L1051 I1057 | S889-R1053 VanDerWaalsContact O-CG 3.26Å; S889-R1053 WeakPolarHBondContact O-CG 3.38Å; L890-R1053 PolarHBondContact O-NH1 3.47Å; L891-R1053 WeakPolarHBondContact O-CD 3.35Å; T1049-R1053 WeakPolarHBondContact O-CB 3.49Å; T1049-R1053 PolarHBondContact O-N 2.98Å; E1050-R1053 IonicContact OE1-CZ 3.72Å; E1050-R1053 IonicContact OE1-NE 2.85Å; E1050-R1053 IonicContact OE1-NH2 3.56Å; E1050-R1053 PolarHBondContact OE1-NH2 2.87Å; E1050-R1053 IonicContact OE2-CZ 2.71Å; E1050-R1053 IonicContact OE2-NE 3.59Å; E1050-R1053 PolarHBondContact OE2-NE 3.16Å; E1050-R1053 IonicContact OE2-NH2 3.8Å; E1050-R1053 PolarHBondContact OE2-NH2 2.85Å; L1051-R1053 VanDerWaalsContact C-N 3.28Å; L1051-R1053 PolarHBondContact O-N 2.79Å; R1053-I1057 HydrophobicContact CG-CD1 4.22Å; R1053-I1057 VanDerWaalsContact O-CG1 3.3Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.5Å; R1053-I1057 PolarHBondContact O-N 2.82Å |
| 1054 | R | 85.6 | Confident | 83.7 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.7 | -39.4 | 178.8 | -72 | 176.7 | -173.3 | -163.2 | 6.8 | 111.4 | E1050 L1051 K1052 I1057 Q1058 | E1050-R1054 WeakPolarHBondContact O-CG 3.4Å; E1050-R1054 PolarHBondContact O-N 3.47Å; E1050-R1054 VanDerWaalsContact O-N 3.1Å; E1050-R1054 IonicContact OE1-CZ 3.91Å; E1050-R1054 IonicContact OE1-NE 3.93Å; E1050-R1054 PolarHBondContact OE1-NE 2.77Å; E1050-R1054 IonicContact OE1-NH2 2.8Å; E1050-R1054 PolarHBondContact OE1-NH2 3.43Å; E1050-R1054 VanDerWaalsContact OE1-NH2 3.09Å; L1051-R1054 WeakPolarHBondContact O-CA 3.39Å; L1051-R1054 WeakPolarHBondContact O-CB 3.28Å; L1051-R1054 PolarHBondContact O-N 3.06Å; K1052-R1054 PolarHBondContact O-N 3.32Å; R1054-I1057 PolarHBondContact O-N 3.45Å; R1054-Q1058 PolarHBondContact O-N 3.44Å |
| 1055 | S | 83.7 | Confident | 82.7 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -51.1 | 174.1 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | L1051 K1052 I1057 Q1058 E1059 E1113 | L1051-S1055 PolarHBondContact O-N 3.4Å; K1052-S1055 WeakPolarHBondContact O-CB 3.32Å; K1052-S1055 PolarHBondContact O-N 3.04Å; S1055-I1057 VanDerWaalsContact C-N 3.32Å; S1055-I1057 PolarHBondContact O-N 3.43Å; S1055-Q1058 CarbonylContact O-C 3.47Å; S1055-Q1058 WeakPolarHBondContact O-CA 3.49Å; S1055-Q1058 WeakPolarHBondContact O-CB 3.33Å; S1055-Q1058 PolarHBondContact O-N 3.04Å; S1055-E1059 PolarHBondContact O-N 3.3Å; S1055-E1113 WeakPolarHBondContact CB-OE1 3.46Å |
| 1056 | L | 82.4 | Confident | 81.4 | Confident | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 175.5 | -76.1 | 165.3 | 0 | 0 | 0 | 113.3 | L890 K1052 Q1058 E1059 D1060 | L890-L1056 HydrophobicContact CD2-CB 3.96Å; K1052-L1056 WeakPolarHBondContact O-CB 3.48Å; K1052-L1056 WeakPolarHBondContact O-CG 3.41Å; K1052-L1056 PolarHBondContact O-N 3.03Å; L1056-Q1058 VanDerWaalsContact C-N 3.31Å; L1056-Q1058 PolarHBondContact O-N 3.11Å; L1056-E1059 PolarHBondContact O-N 3.24Å; L1056-D1060 WeakPolarHBondContact O-CB 3.39Å; L1056-D1060 PolarHBondContact O-N 3.22Å |
| 1057 | I | 81.8 | Confident | 79.8 | Confident | 54 Ų | 54 | 79 Ų | 79 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 174.9 | -72.6 | 169.7 | 0 | 0 | 0 | 111.1 | L890 R1053 R1054 S1055 R1061 | L890-I1057 HydrophobicContact CD2-CG1 3.64Å; R1053-I1057 HydrophobicContact CG-CD1 4.22Å; R1053-I1057 VanDerWaalsContact O-CG1 3.3Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.5Å; R1053-I1057 PolarHBondContact O-N 2.82Å; R1054-I1057 PolarHBondContact O-N 3.45Å; S1055-I1057 VanDerWaalsContact C-N 3.32Å; S1055-I1057 PolarHBondContact O-N 3.43Å; I1057-R1061 WeakPolarHBondContact O-CB 3.48Å; I1057-R1061 WeakPolarHBondContact O-CG 3.32Å; I1057-R1061 PolarHBondContact O-N 3.37Å |
| 1058 | Q | 81.3 | Confident | 78.1 | Confident | 128 Ų | 128 | 84.6 Ų | 84.6 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 177.6 | -173.1 | 167.1 | -12.6 | 0 | 0 | 110.9 | R1054 S1055 L1056 R1061 D1062 | R1054-Q1058 PolarHBondContact O-N 3.44Å; S1055-Q1058 CarbonylContact O-C 3.47Å; S1055-Q1058 WeakPolarHBondContact O-CA 3.49Å; S1055-Q1058 WeakPolarHBondContact O-CB 3.33Å; S1055-Q1058 PolarHBondContact O-N 3.04Å; L1056-Q1058 VanDerWaalsContact C-N 3.31Å; L1056-Q1058 PolarHBondContact O-N 3.11Å; Q1058-R1061 PolarHBondContact O-N 3.08Å; Q1058-D1062 PolarHBondContact O-N 3.4Å |
| 1059 | E | 80.1 | Confident | 76.4 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.8 | -69.6 | -173.3 | 163.8 | 0 | 0 | 112.7 | S1055 L1056 R1061 D1062 S1063 | S1055-E1059 PolarHBondContact O-N 3.3Å; L1056-E1059 PolarHBondContact O-N 3.24Å; E1059-R1061 VanDerWaalsContact C-N 3.31Å; E1059-R1061 PolarHBondContact O-N 3.06Å; E1059-D1062 PolarHBondContact O-N 3.37Å; E1059-S1063 WeakPolarHBondContact O-CB 3.3Å; E1059-S1063 PolarHBondContact O-N 3.49Å; E1059-S1063 PolarHBondContact O-OG 3.17Å |
| 1060 | D | 79.1 | Confident | 74.6 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | 175.4 | 177.9 | 55.5 | 0 | 0 | 0 | 111.9 | L1056 S1063 K1064 | L1056-D1060 WeakPolarHBondContact O-CB 3.39Å; L1056-D1060 PolarHBondContact O-N 3.22Å; D1060-S1063 WeakPolarHBondContact CA-OG 3.16Å; D1060-S1063 PolarHBondContact O-OG 3.43Å; D1060-K1064 VanDerWaalsContact O-CB 3.31Å; D1060-K1064 WeakPolarHBondContact O-CB 3.44Å; D1060-K1064 WeakPolarHBondContact O-CD 3.3Å; D1060-K1064 VanDerWaalsContact O-CG 3.25Å; D1060-K1064 WeakPolarHBondContact O-CG 3.27Å; D1060-K1064 PolarHBondContact O-N 3.26Å; D1060-K1064 WeakPolarHBondContact OD1-CE 3.47Å; D1060-K1064 IonicContact OD1-NZ 2.75Å; D1060-K1064 PolarHBondContact OD1-NZ 3.28Å; D1060-K1064 WeakPolarHBondContact OD2-CE 3.32Å; D1060-K1064 IonicContact OD2-NZ 3.06Å; D1060-K1064 PolarHBondContact OD2-NZ 3.13Å |
| 1061 | R | 80.2 | Confident | 72.7 | Confident | 157 Ų | 157 | 100.5 Ų | 100.5 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 174 | -73.4 | 179.2 | 87.7 | -172.1 | 6.8 | 111.7 | I1057 Q1058 E1059 R1065 | I1057-R1061 WeakPolarHBondContact O-CB 3.48Å; I1057-R1061 WeakPolarHBondContact O-CG 3.32Å; I1057-R1061 PolarHBondContact O-N 3.37Å; Q1058-R1061 PolarHBondContact O-N 3.08Å; E1059-R1061 VanDerWaalsContact C-N 3.31Å; E1059-R1061 PolarHBondContact O-N 3.06Å; R1061-R1065 VanDerWaalsContact O-CG 3.31Å; R1061-R1065 WeakPolarHBondContact O-CG 3.37Å; R1061-R1065 PolarHBondContact O-N 3.39Å |
| 1062 | D | 79.8 | Confident | 70.8 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.6 | -35.2 | 179.6 | -72.8 | -21.9 | 0 | 0 | 0 | 112.5 | Q1058 E1059 R1065 K1066 | Q1058-D1062 PolarHBondContact O-N 3.4Å; E1059-D1062 PolarHBondContact O-N 3.37Å; D1062-R1065 WeakPolarHBondContact O-CB 3.38Å; D1062-R1065 PolarHBondContact O-N 2.84Å; D1062-R1065 IonicContact OD1-NH1 3.67Å; D1062-K1066 WeakPolarHBondContact O-CG 3.14Å; D1062-K1066 PolarHBondContact O-N 3.26Å |
| 1063 | S | 72.8 | Confident | 69.1 | Low | 61 Ų | 61 | 106.8 Ų | 106.8 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 172 | 74.2 | 0 | 0 | 0 | 0 | 111.8 | E1059 D1060 R1065 K1066 S1067 | E1059-S1063 WeakPolarHBondContact O-CB 3.3Å; E1059-S1063 PolarHBondContact O-N 3.49Å; E1059-S1063 PolarHBondContact O-OG 3.17Å; D1060-S1063 WeakPolarHBondContact CA-OG 3.16Å; D1060-S1063 PolarHBondContact O-OG 3.43Å; S1063-R1065 VanDerWaalsContact C-N 3.33Å; S1063-R1065 PolarHBondContact O-N 2.88Å; S1063-K1066 PolarHBondContact O-N 2.85Å; S1063-S1067 PolarHBondContact O-N 3.4Å; S1063-S1067 PolarHBondContact O-OG 3.48Å |
| 1064 | K | 73.2 | Confident | 67.1 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 171.8 | -76.8 | 171.5 | -178.2 | 161.2 | 0 | 113 | D1060 S1067 K1068 | D1060-K1064 VanDerWaalsContact O-CB 3.31Å; D1060-K1064 WeakPolarHBondContact O-CB 3.44Å; D1060-K1064 WeakPolarHBondContact O-CD 3.3Å; D1060-K1064 VanDerWaalsContact O-CG 3.25Å; D1060-K1064 WeakPolarHBondContact O-CG 3.27Å; D1060-K1064 PolarHBondContact O-N 3.26Å; D1060-K1064 WeakPolarHBondContact OD1-CE 3.47Å; D1060-K1064 IonicContact OD1-NZ 2.75Å; D1060-K1064 PolarHBondContact OD1-NZ 3.28Å; D1060-K1064 WeakPolarHBondContact OD2-CE 3.32Å; D1060-K1064 IonicContact OD2-NZ 3.06Å; D1060-K1064 PolarHBondContact OD2-NZ 3.13Å; K1064-S1067 WeakPolarHBondContact CA-OG 3.38Å; K1064-S1067 PolarHBondContact O-OG 3.21Å; K1064-S1067 VanDerWaalsContact O-OG 3.1Å; K1064-K1068 WeakPolarHBondContact O-CG 3.37Å; K1064-K1068 PolarHBondContact O-N 3.42Å |
| 1065 | R | 69.6 | Low | 65 | Low | 164 Ų | 164 | 116.1 Ų | 116.1 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -43.5 | 172.4 | -77.2 | 170.1 | 167.7 | -178.9 | -5.4 | 111.7 | R1061 D1062 S1063 K1068 S1069 | R1061-R1065 VanDerWaalsContact O-CG 3.31Å; R1061-R1065 WeakPolarHBondContact O-CG 3.37Å; R1061-R1065 PolarHBondContact O-N 3.39Å; D1062-R1065 WeakPolarHBondContact O-CB 3.38Å; D1062-R1065 PolarHBondContact O-N 2.84Å; D1062-R1065 IonicContact OD1-NH1 3.67Å; S1063-R1065 VanDerWaalsContact C-N 3.33Å; S1063-R1065 PolarHBondContact O-N 2.88Å; R1065-K1068 PolarHBondContact O-N 3.34Å; R1065-S1069 PolarHBondContact O-N 2.81Å |
| 1066 | K | 61.1 | Low | 63.1 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 70% | 0.7 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 177 | -73.1 | 177.7 | -178.6 | 174.8 | 0 | 112.6 | D1062 S1063 S1069 R1070 | D1062-K1066 WeakPolarHBondContact O-CG 3.14Å; D1062-K1066 PolarHBondContact O-N 3.26Å; S1063-K1066 PolarHBondContact O-N 2.85Å; K1066-S1069 WeakPolarHBondContact O-CB 3.4Å; K1066-S1069 PolarHBondContact O-N 3.45Å; K1066-R1070 PolarHBondContact O-N 2.87Å |
| 1067 | S | 55.9 | Low | 61 | Low | 68 Ų | 68 | 126.2 Ų | 126.2 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.1 | -35.2 | 177.8 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | S1063 K1064 S1069 R1070 K1071 | S1063-S1067 PolarHBondContact O-N 3.4Å; S1063-S1067 PolarHBondContact O-OG 3.48Å; K1064-S1067 WeakPolarHBondContact CA-OG 3.38Å; K1064-S1067 PolarHBondContact O-OG 3.21Å; K1064-S1067 VanDerWaalsContact O-OG 3.1Å; S1067-S1069 VanDerWaalsContact C-N 3.35Å; S1067-R1070 PolarHBondContact O-N 2.93Å; S1067-K1071 PolarHBondContact O-N 2.92Å |
| 1068 | K | 53.4 | Low | 58.7 | Low | 156 Ų | 156 | 132.2 Ų | 132.2 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.1 | -36.6 | 171.8 | -77.1 | -178.6 | 178.7 | 177.1 | 0 | 112.4 | K1064 R1065 R1070 K1071 N1072 | K1064-K1068 WeakPolarHBondContact O-CG 3.37Å; K1064-K1068 PolarHBondContact O-N 3.42Å; R1065-K1068 PolarHBondContact O-N 3.34Å; K1068-R1070 PolarHBondContact O-N 3.2Å; K1068-K1071 PolarHBondContact O-N 3.5Å; K1068-N1072 PolarHBondContact O-N 2.92Å |
| 1069 | S | 53.3 | Low | 56.5 | Low | 74 Ų | 74 | 131 Ų | 131 | 52% | 0.517 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 174.2 | -176 | 0 | 0 | 0 | 0 | 112.2 | R1065 K1066 S1067 K1071 N1072 | R1065-S1069 PolarHBondContact O-N 2.81Å; K1066-S1069 WeakPolarHBondContact O-CB 3.4Å; K1066-S1069 PolarHBondContact O-N 3.45Å; S1067-S1069 VanDerWaalsContact C-N 3.35Å; S1069-K1071 PolarHBondContact O-N 3.45Å; S1069-N1072 PolarHBondContact O-N 3.48Å |
| 1070 | R | 49.7 | Very low | 54.4 | Low | 209 Ų | 209 | 133 Ų | 133 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.7 | -32.3 | 176.3 | -90.9 | -179.4 | 174.7 | 159.3 | -1.1 | 114.1 | K1066 S1067 K1068 | K1066-R1070 PolarHBondContact O-N 2.87Å; S1067-R1070 PolarHBondContact O-N 2.93Å; K1068-R1070 PolarHBondContact O-N 3.2Å |
| 1071 | K | 46.6 | Very low | 52 | Low | 168 Ų | 168 | 137.7 Ų | 137.7 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.5 | -34.7 | 175.8 | -88.6 | -175.6 | 177.3 | 176.1 | 0 | 112.8 | S1067 K1068 S1069 I1073 R1074 | S1067-K1071 PolarHBondContact O-N 2.92Å; K1068-K1071 PolarHBondContact O-N 3.5Å; S1069-K1071 PolarHBondContact O-N 3.45Å; K1071-I1073 VanDerWaalsContact C-N 3.28Å; K1071-I1073 PolarHBondContact O-N 2.75Å; K1071-R1074 PolarHBondContact O-N 3.05Å |
| 1072 | N | 46 | Very low | 49.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.6 | -23.6 | 178.5 | -78.6 | 0.5 | 0 | 0 | 0 | 113.6 | K1068 S1069 | K1068-N1072 PolarHBondContact O-N 2.92Å; S1069-N1072 PolarHBondContact O-N 3.48Å |
| 1073 | I | 50.4 | Low | 47.1 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 61% | 0.605 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.9 | -21.7 | 175.7 | -70.7 | 171.7 | 0 | 0 | 0 | 112.6 | K1071 S1076 | K1071-I1073 VanDerWaalsContact C-N 3.28Å; K1071-I1073 PolarHBondContact O-N 2.75Å; I1073-S1076 PolarHBondContact O-OG 3.25Å |
| 1074 | R | 42.9 | Very low | 45.1 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81.9 | -21.9 | 177.5 | -91.7 | -175 | 173.5 | 179 | -1.1 | 114.2 | K1071 S1076 | K1071-R1074 PolarHBondContact O-N 3.05Å; R1074-S1076 VanDerWaalsContact C-N 3.33Å |
| 1075 | Q | 42.8 | Very low | 42.9 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -77.3 | -15.5 | 177.9 | -91.4 | -179 | -22 | 0 | 0 | 114.1 | R1077 | Q1075-R1077 VanDerWaalsContact C-N 3.34Å; Q1075-R1077 PolarHBondContact O-N 2.64Å |
| 1076 | S | 43.3 | Very low | 40.8 | Very low | 88 Ų | 88 | 145.2 Ų | 145.2 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -86.5 | 4.7 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 115 | I1073 R1074 | I1073-S1076 PolarHBondContact O-OG 3.25Å; R1074-S1076 VanDerWaalsContact C-N 3.33Å |
| 1077 | R | 37.3 | Very low | 39.4 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -122.6 | 13.1 | -177.7 | -93.3 | -175.4 | 161.6 | 159.3 | -3.5 | 116.4 | Q1075 | Q1075-R1077 VanDerWaalsContact C-N 3.34Å; Q1075-R1077 PolarHBondContact O-N 2.64Å |
| 1078 | M | 33.6 | Very low | 38 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | -93.9 | 21.6 | 176.3 | -79.1 | -168.6 | 65.3 | 0 | 0 | 115.1 | ||||
| 1079 | S | 35 | Very low | 36.8 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -123.2 | 44.7 | 178.2 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1080 | V | 37.2 | Very low | 35.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -150.7 | 111.5 | 154.4 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1081 | M | 28.9 | Very low | 34.7 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 17.4 | 106 | 140.7 | -145.4 | 72.3 | 167.2 | 0 | 0 | 115.6 | ||||
| 1082 | E | 26.3 | Very low | 33.9 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | 49.7 | 94.8 | 95 | -75.2 | -176.2 | 169.2 | 0 | 0 | 113.6 | |||||
| 1083 | N | 30.1 | Very low | 33.2 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -145 | 139.3 | 144.5 | -119.9 | 12.7 | 0 | 0 | 0 | 109.6 | ||||
| 1084 | S | 31.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 141.2 | -154.2 | -40.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1085 | V | 26.5 | Very low | 31.8 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | 29.3 | 104 | 129.9 | -171.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1086 | N | 26.4 | Very low | 31.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | -179.6 | 149.3 | 122.5 | -105.4 | -4.9 | 0 | 0 | 0 | 114.4 | |||||
| 1087 | V | 31.4 | Very low | 31.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 86.1 | 82.3 | 164.1 | -157.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1088 | S | 26.2 | Very low | 31.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 119.2 | 134.4 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1089 | S | 28.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | 177.3 | 122.4 | 148.2 | -80 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1090 | G | 29.9 | Very low | 32.5 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 149.3 | 63.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1092 | G1090-T1092 PolarHBondContact O-N 3.41Å; G1090-T1092 VanDerWaalsContact O-N 3.15Å | ||
| 1091 | I | 29 | Very low | 32.6 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -61.6 | 108.5 | 165.1 | -67.6 | 161.8 | 0 | 0 | 0 | 107 | T1093 | I1091-T1093 HydrophobicContact CG2-CG2 4.26Š| ||
| 1092 | T | 30.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -110.9 | 102.6 | 156.6 | 54.2 | 0 | 0 | 0 | 0 | 107 | G1090 G1094 | G1090-T1092 PolarHBondContact O-N 3.41Å; G1090-T1092 VanDerWaalsContact O-N 3.15Å; T1092-G1094 PolarHBondContact O-N 3.26Å | ||
| 1093 | T | 30.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -51.4 | 97.5 | 162.3 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | I1091 | I1091-T1093 HydrophobicContact CG2-CG2 4.26Š| ||
| 1094 | G | 32.6 | Very low | 35.3 | Very low | 63 Ų | 63 | 117.8 Ų | 117.8 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -141.9 | 83.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | T1092 | T1092-G1094 PolarHBondContact O-N 3.26Š| ||
| 1095 | Q | 31.4 | Very low | 36.4 | Very low | 190 Ų | 190 | 117 Ų | 117 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | -59.6 | 126.1 | 171.4 | -79.8 | 176.8 | -52.1 | 0 | 0 | 108 | T1097 | Q1095-T1097 PolarHBondContact O-N 3.45Š| ||
| 1096 | P | 36.5 | Very low | 37.7 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | trans | -75.4 | 119.7 | 179.4 | 28.8 | -29.6 | 0 | 0 | 0 | 109.5 | V1098 | P1096-V1098 HydrophobicContact CB-CG2 4.12Å; P1096-V1098 PolarHBondContact O-N 2.91Å | ||
| 1097 | T | 42.4 | Very low | 39.2 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 36.2 | 175.1 | 51 | 0 | 0 | 0 | 0 | 114.1 | Q1095 | Q1095-T1097 PolarHBondContact O-N 3.45Š|
| 1098 | V | 43.8 | Very low | 40.6 | Very low | 92 Ų | 92 | 106 Ų | 106 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.8 | -27.4 | -172.4 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | P1096 S1102 | P1096-V1098 HydrophobicContact CB-CG2 4.12Å; P1096-V1098 PolarHBondContact O-N 2.91Å; V1098-S1102 PolarHBondContact O-N 3.07Å; V1098-S1102 PolarHBondContact O-OG 3.46Å; V1098-S1102 VanDerWaalsContact O-OG 3.08Å |
| 1099 | D | 42.5 | Very low | 42.5 | Very low | 143 Ų | 143 | 101.8 Ų | 101.8 | 77% | 0.765 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.4 | -32.1 | -176.6 | -73.3 | -15.6 | 0 | 0 | 0 | 112.8 | S1102 G1103 | D1099-S1102 PolarHBondContact O-OG 2.8Å; D1099-G1103 PolarHBondContact O-N 2.88Å |
| 1100 | E | 41.9 | Very low | 44.5 | Very low | 153 Ų | 153 | 99.1 Ų | 99.1 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.6 | -38.8 | 178.1 | -75.5 | -177.3 | 169.7 | 0 | 0 | 113.3 | S1102 G1103 L1104 | E1100-S1102 VanDerWaalsContact C-N 3.33Å; E1100-S1102 PolarHBondContact O-N 2.98Å; E1100-G1103 PolarHBondContact O-N 2.96Å; E1100-L1104 PolarHBondContact O-N 2.71Å |
| 1101 | E | 39.6 | Very low | 46.8 | Very low | 137 Ų | 137 | 100.1 Ų | 100.1 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -36.3 | 176.9 | -82.9 | -172.7 | 166.1 | 0 | 0 | 111.9 | G1103 L1104 V1105 | E1101-G1103 VanDerWaalsContact C-N 3.34Å; E1101-G1103 PolarHBondContact O-N 3.13Å; E1101-L1104 PolarHBondContact O-N 3.15Å; E1101-V1105 WeakPolarHBondContact O-CG2 3.35Å; E1101-V1105 PolarHBondContact O-N 3.03Å; E1101-V1105 VanDerWaalsContact O-N 3.11Å |
| 1102 | S | 45 | Very low | 49.4 | Very low | 73 Ų | 73 | 96.7 Ų | 96.7 | 51% | 0.51 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -34.5 | 174 | 37.5 | 0 | 0 | 0 | 0 | 113.2 | V1098 D1099 E1100 G1106 | V1098-S1102 PolarHBondContact O-N 3.07Å; V1098-S1102 PolarHBondContact O-OG 3.46Å; V1098-S1102 VanDerWaalsContact O-OG 3.08Å; D1099-S1102 PolarHBondContact O-OG 2.8Å; E1100-S1102 VanDerWaalsContact C-N 3.33Å; E1100-S1102 PolarHBondContact O-N 2.98Å; S1102-G1106 PolarHBondContact O-N 3.24Å |
| 1103 | G | 51.3 | Low | 52 | Low | 42 Ų | 42 | 91.8 Ų | 91.8 | 43% | 0.433 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1099 E1100 E1101 G1106 V1107 | D1099-G1103 PolarHBondContact O-N 2.88Å; E1100-G1103 PolarHBondContact O-N 2.96Å; E1101-G1103 VanDerWaalsContact C-N 3.34Å; E1101-G1103 PolarHBondContact O-N 3.13Å; G1103-G1106 PolarHBondContact O-N 2.85Å; G1103-V1107 WeakPolarHBondContact O-CG2 3.42Å; G1103-V1107 PolarHBondContact O-N 3.24Å; G1103-V1107 VanDerWaalsContact O-N 3.15Å |
| 1104 | L | 45.6 | Very low | 54.7 | Low | 122 Ų | 122 | 86.4 Ų | 86.4 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 179.2 | -82.9 | 156.8 | 0 | 0 | 0 | 113.1 | E1100 E1101 G1106 A1108 | E1100-L1104 PolarHBondContact O-N 2.71Å; E1101-L1104 PolarHBondContact O-N 3.15Å; L1104-G1106 VanDerWaalsContact C-N 3.35Å; L1104-A1108 PolarHBondContact O-N 3.38Å; L1104-A1108 VanDerWaalsContact O-N 3.15Å |
| 1105 | V | 53.3 | Low | 57.3 | Low | 90 Ų | 90 | 87.3 Ų | 87.3 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.3 | E1101 A1108 A1109 | E1101-V1105 WeakPolarHBondContact O-CG2 3.35Å; E1101-V1105 PolarHBondContact O-N 3.03Å; E1101-V1105 VanDerWaalsContact O-N 3.11Å; V1105-A1108 PolarHBondContact O-N 3.48Å; V1105-A1109 WeakPolarHBondContact O-CB 3.32Å; V1105-A1109 PolarHBondContact O-N 3.15Å |
| 1106 | G | 54.5 | Low | 60.1 | Low | 29 Ų | 29 | 84.6 Ų | 84.6 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1102 G1103 L1104 A1109 D1110 | S1102-G1106 PolarHBondContact O-N 3.24Å; G1103-G1106 PolarHBondContact O-N 2.85Å; L1104-G1106 VanDerWaalsContact C-N 3.35Å; G1106-A1109 PolarHBondContact O-N 3.24Å; G1106-D1110 WeakPolarHBondContact O-CB 3.28Å; G1106-D1110 PolarHBondContact O-N 2.9Å |
| 1107 | V | 57.4 | Low | 62.6 | Low | 88 Ų | 88 | 79.7 Ų | 79.7 | 53% | 0.533 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.7 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | G1103 A1109 D1110 D1111 | G1103-V1107 WeakPolarHBondContact O-CG2 3.42Å; G1103-V1107 PolarHBondContact O-N 3.24Å; G1103-V1107 VanDerWaalsContact O-N 3.15Å; V1107-A1109 PolarHBondContact O-N 3.08Å; V1107-D1110 PolarHBondContact O-N 2.89Å; V1107-D1111 PolarHBondContact O-N 3.47Å |
| 1108 | A | 61.7 | Low | 64.7 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1104 V1105 D1111 T1112 | L1104-A1108 PolarHBondContact O-N 3.38Å; L1104-A1108 VanDerWaalsContact O-N 3.15Å; V1105-A1108 PolarHBondContact O-N 3.48Å; A1108-D1111 PolarHBondContact O-N 3.32Å; A1108-T1112 WeakPolarHBondContact O-CG2 3.41Å; A1108-T1112 PolarHBondContact O-N 3.42Å; A1108-T1112 VanDerWaalsContact O-N 3.16Å |
| 1109 | A | 65.1 | Low | 66.8 | Low | 24 Ų | 24 | 80 Ų | 80 | 20% | 0.198 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1105 G1106 V1107 D1111 T1112 E1113 | V1105-A1109 WeakPolarHBondContact O-CB 3.32Å; V1105-A1109 PolarHBondContact O-N 3.15Å; G1106-A1109 PolarHBondContact O-N 3.24Å; V1107-A1109 PolarHBondContact O-N 3.08Å; A1109-D1111 VanDerWaalsContact C-N 3.27Å; A1109-D1111 PolarHBondContact O-N 2.89Å; A1109-T1112 PolarHBondContact O-N 3.42Å; A1109-T1112 VanDerWaalsContact O-N 3.15Å; A1109-T1112 PolarHBondContact O-OG1 3.27Å; A1109-E1113 PolarHBondContact O-N 3.18Å; A1109-E1113 VanDerWaalsContact O-N 3.14Å |
| 1110 | D | 69.6 | Low | 69 | Low | 64 Ų | 64 | 74.1 Ų | 74.1 | 34% | 0.342 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 177.1 | -89.9 | 7.8 | 0 | 0 | 0 | 112.6 | K1052 G1106 V1107 A1114 | K1052-D1110 WeakPolarHBondContact CD-OD1 3.46Å; K1052-D1110 VanDerWaalsContact CE-CG 3.45Å; K1052-D1110 VanDerWaalsContact CE-OD1 3.26Å; K1052-D1110 WeakPolarHBondContact CE-OD1 3.41Å; K1052-D1110 IonicContact NZ-OD1 3.81Å; K1052-D1110 PolarHBondContact NZ-OD1 3.49Å; K1052-D1110 IonicContact NZ-OD2 3.57Å; K1052-D1110 PolarHBondContact NZ-OD2 3.43Å; G1106-D1110 WeakPolarHBondContact O-CB 3.28Å; G1106-D1110 PolarHBondContact O-N 2.9Å; V1107-D1110 PolarHBondContact O-N 2.89Å; D1110-A1114 WeakPolarHBondContact O-CB 3.4Å; D1110-A1114 PolarHBondContact O-N 3.19Å; D1110-A1114 VanDerWaalsContact O-N 3.12Å |
| 1111 | D | 78.7 | Confident | 71.2 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.1 | -71 | -21.3 | 0 | 0 | 0 | 111.5 | V1107 A1108 A1109 E1113 A1114 D1115 | V1107-D1111 PolarHBondContact O-N 3.47Å; A1108-D1111 PolarHBondContact O-N 3.32Å; A1109-D1111 VanDerWaalsContact C-N 3.27Å; A1109-D1111 PolarHBondContact O-N 2.89Å; D1111-E1113 PolarHBondContact O-N 3.26Å; D1111-A1114 PolarHBondContact O-N 3.08Å; D1111-D1115 WeakPolarHBondContact O-CB 3.26Å; D1111-D1115 PolarHBondContact O-N 2.97Å |
| 1112 | T | 83.5 | Confident | 73.3 | Confident | 90 Ų | 90 | 62 Ų | 62 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 178.5 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | A1108 A1109 D1115 Y1116 | A1108-T1112 WeakPolarHBondContact O-CG2 3.41Å; A1108-T1112 PolarHBondContact O-N 3.42Å; A1108-T1112 VanDerWaalsContact O-N 3.16Å; A1109-T1112 PolarHBondContact O-N 3.42Å; A1109-T1112 VanDerWaalsContact O-N 3.15Å; A1109-T1112 PolarHBondContact O-OG1 3.27Å; T1112-D1115 PolarHBondContact O-N 3.45Å; T1112-Y1116 WeakPolarHBondContact O-CB 3.27Å; T1112-Y1116 PolarHBondContact O-N 2.68Å |
| 1113 | E | 85.8 | Confident | 75.1 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 177.2 | -67 | -176.4 | 175.1 | 0 | 0 | 111.4 | L1048 L1051 K1052 S1055 A1109 D1111 D1115 Y1116 I1117 | L1048-E1113 HydrophobicContact CD1-CB 3.73Å; L1051-E1113 HydrophobicContact CB-CG 4.46Å; L1051-E1113 WeakPolarHBondContact CB-OE2 3.49Å; K1052-E1113 WeakPolarHBondContact CA-OE2 3.36Å; K1052-E1113 WeakPolarHBondContact CG-OE2 3.29Å; K1052-E1113 PolarHBondContact N-OE2 3.38Å; S1055-E1113 WeakPolarHBondContact CB-OE1 3.46Å; A1109-E1113 PolarHBondContact O-N 3.18Å; A1109-E1113 VanDerWaalsContact O-N 3.14Å; D1111-E1113 PolarHBondContact O-N 3.26Å; E1113-D1115 VanDerWaalsContact C-N 3.32Å; E1113-D1115 PolarHBondContact O-N 3.16Å; E1113-Y1116 PolarHBondContact O-N 3.44Å; E1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; E1113-I1117 PolarHBondContact O-N 3.1Å |
| 1114 | A | 85.9 | Confident | 76.8 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1048 D1110 D1111 I1117 R1118 | L1048-A1114 HydrophobicContact CD1-CB 4.39Å; L1048-A1114 HydrophobicContact CD2-CB 4.35Å; D1110-A1114 WeakPolarHBondContact O-CB 3.4Å; D1110-A1114 PolarHBondContact O-N 3.19Å; D1110-A1114 VanDerWaalsContact O-N 3.12Å; D1111-A1114 PolarHBondContact O-N 3.08Å; A1114-I1117 PolarHBondContact O-N 3.24Å; A1114-R1118 WeakPolarHBondContact O-CB 3.32Å; A1114-R1118 PolarHBondContact O-N 2.67Å |
| 1115 | D | 87.1 | Confident | 78.7 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.7 | -72.9 | -5.6 | 0 | 0 | 0 | 112.1 | D1111 T1112 E1113 R1118 H1119 | D1111-D1115 WeakPolarHBondContact O-CB 3.26Å; D1111-D1115 PolarHBondContact O-N 2.97Å; T1112-D1115 PolarHBondContact O-N 3.45Å; E1113-D1115 VanDerWaalsContact C-N 3.32Å; E1113-D1115 PolarHBondContact O-N 3.16Å; D1115-R1118 PolarHBondContact O-N 3.23Å; D1115-R1118 IonicContact OD1-CZ 3.3Å; D1115-R1118 VanDerWaalsContact OD1-CZ 3.24Å; D1115-R1118 IonicContact OD1-NH1 3.43Å; D1115-R1118 PolarHBondContact OD1-NH1 3.44Å; D1115-R1118 IonicContact OD1-NH2 2.73Å; D1115-R1118 PolarHBondContact OD1-NH2 3Å; D1115-H1119 WeakPolarHBondContact O-CB 3.38Å; D1115-H1119 PolarHBondContact O-N 3.48Å |
| 1116 | Y | 90.3 | Very high | 80.3 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 52% | 0.522 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 173.7 | 177.4 | -109.1 | 0 | 0 | 0 | 112 | L1051 T1112 E1113 R1118 H1119 I1120 | L1051-Y1116 HydrophobicContact CD1-CD1 4.18Å; T1112-Y1116 WeakPolarHBondContact O-CB 3.27Å; T1112-Y1116 PolarHBondContact O-N 2.68Å; E1113-Y1116 PolarHBondContact O-N 3.44Å; Y1116-R1118 VanDerWaalsContact C-N 3.32Å; Y1116-R1118 PolarHBondContact O-N 2.95Å; Y1116-H1119 WeakPolarHBondContact O-CB 3.42Å; Y1116-H1119 PolarHBondContact O-N 2.93Å; Y1116-I1120 HydrophobicContact CD1-CD1 4Å; Y1116-I1120 HydrophobicContact CE1-CD1 3.46Å; Y1116-I1120 VanDerWaalsContact CE1-CD1 3.46Å; Y1116-I1120 HydrophobicContact CE1-CG1 4.45Å; Y1116-I1120 HydrophobicContact CE2-CD1 4.32Å; Y1116-I1120 WeakPolarHBondContact O-CG1 3.38Å; Y1116-I1120 PolarHBondContact O-N 3.4Å |
| 1117 | I | 90 | Very high | 81.6 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.3 | -66.7 | -67.5 | 0 | 0 | 0 | 111 | M1043 E1044 V1047 L1048 L1051 E1113 A1114 H1119 I1120 C1121 | M1043-I1117 HydrophobicContact CB-CG2 4.09Å; M1043-I1117 HydrophobicContact CE-CD1 3.93Å; E1044-I1117 HydrophobicContact CG-CG2 4.08Å; V1047-I1117 HydrophobicContact CB-CD1 4.19Å; V1047-I1117 HydrophobicContact CG1-CD1 3.78Å; L1048-I1117 HydrophobicContact CB-CG1 4.27Å; L1048-I1117 HydrophobicContact CD1-CG1 4.19Å; L1051-I1117 HydrophobicContact CD1-CD1 3.94Å; L1051-I1117 HydrophobicContact CD1-CG1 4.23Å; E1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; E1113-I1117 PolarHBondContact O-N 3.1Å; A1114-I1117 PolarHBondContact O-N 3.24Å; I1117-H1119 VanDerWaalsContact C-N 3.34Å; I1117-H1119 PolarHBondContact O-N 3.37Å; I1117-I1120 PolarHBondContact O-N 3.11Å; I1117-C1121 PolarHBondContact O-N 3.21Å; I1117-C1121 PolarHBondContact O-SG 3.21Å |
| 1118 | R | 86.4 | Confident | 82.6 | Confident | 110 Ų | 110 | 56.5 Ų | 56.5 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.9 | -156.3 | 179.6 | -47.8 | 105.6 | 8.3 | 111.5 | A1114 D1115 Y1116 I1120 C1121 D1122 | A1114-R1118 WeakPolarHBondContact O-CB 3.32Å; A1114-R1118 PolarHBondContact O-N 2.67Å; D1115-R1118 PolarHBondContact O-N 3.23Å; D1115-R1118 IonicContact OD1-CZ 3.3Å; D1115-R1118 VanDerWaalsContact OD1-CZ 3.24Å; D1115-R1118 IonicContact OD1-NH1 3.43Å; D1115-R1118 PolarHBondContact OD1-NH1 3.44Å; D1115-R1118 IonicContact OD1-NH2 2.73Å; D1115-R1118 PolarHBondContact OD1-NH2 3Å; Y1116-R1118 VanDerWaalsContact C-N 3.32Å; Y1116-R1118 PolarHBondContact O-N 2.95Å; R1118-I1120 VanDerWaalsContact C-N 3.35Å; R1118-I1120 PolarHBondContact O-N 3.11Å; R1118-C1121 PolarHBondContact O-N 3.23Å; R1118-C1121 VanDerWaalsContact O-N 3.17Å; R1118-D1122 WeakPolarHBondContact O-CB 3.44Å; R1118-D1122 VanDerWaalsContact O-CG 3.31Å; R1118-D1122 PolarHBondContact O-N 3.32Å |
| 1119 | H | 87.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 174.3 | -178.7 | -81.6 | 0 | 0 | 0 | 112.2 | D1115 Y1116 I1117 D1122 H1123 | D1115-H1119 WeakPolarHBondContact O-CB 3.38Å; D1115-H1119 PolarHBondContact O-N 3.48Å; Y1116-H1119 WeakPolarHBondContact O-CB 3.42Å; Y1116-H1119 PolarHBondContact O-N 2.93Å; I1117-H1119 VanDerWaalsContact C-N 3.34Å; I1117-H1119 PolarHBondContact O-N 3.37Å; H1119-D1122 PolarHBondContact O-N 2.63Å; H1119-H1123 AromaticContact CD2-CD2 3.59Å; H1119-H1123 AromaticContact CE1-CD2 3.97Å; H1119-H1123 AromaticContact CG-CD2 3.99Å; H1119-H1123 AromaticContact NE2-CD2 3.59Å; H1119-H1123 WeakPolarHBondContact O-CB 3.29Å; H1119-H1123 PolarHBondContact O-CD2 3.15Å; H1119-H1123 PolarHBondContact O-N 2.81Å |
| 1120 | I | 87.6 | Confident | 83.8 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.5 | -65.4 | 169.3 | 0 | 0 | 0 | 110.5 | M1043 Y1116 I1117 R1118 D1122 E1124 L1125 | M1043-I1120 HydrophobicContact CE-CB 4.36Å; M1043-I1120 HydrophobicContact CE-CD1 4.08Å; M1043-I1120 HydrophobicContact CE-CG2 3.79Å; Y1116-I1120 HydrophobicContact CD1-CD1 4Å; Y1116-I1120 HydrophobicContact CE1-CD1 3.46Å; Y1116-I1120 VanDerWaalsContact CE1-CD1 3.46Å; Y1116-I1120 HydrophobicContact CE1-CG1 4.45Å; Y1116-I1120 HydrophobicContact CE2-CD1 4.32Å; Y1116-I1120 WeakPolarHBondContact O-CG1 3.38Å; Y1116-I1120 PolarHBondContact O-N 3.4Å; I1117-I1120 PolarHBondContact O-N 3.11Å; R1118-I1120 VanDerWaalsContact C-N 3.35Å; R1118-I1120 PolarHBondContact O-N 3.11Å; I1120-D1122 VanDerWaalsContact C-N 3.28Å; I1120-D1122 PolarHBondContact O-N 2.94Å; I1120-E1124 HydrophobicContact CG2-CB 3.99Å; I1120-E1124 WeakPolarHBondContact O-CA 3.4Å; I1120-E1124 WeakPolarHBondContact O-CB 3.33Å; I1120-E1124 PolarHBondContact O-N 2.66Å; I1120-L1125 PolarHBondContact O-N 2.6Å |
| 1121 | C | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.9 | -71.6 | 0 | 0 | 0 | 0 | 112 | L1040 I1117 R1118 L1125 V1169 | L1040-C1121 HydrophobicContact CD1-CB 4.45Å; I1117-C1121 PolarHBondContact O-N 3.21Å; I1117-C1121 PolarHBondContact O-SG 3.21Å; R1118-C1121 PolarHBondContact O-N 3.23Å; R1118-C1121 VanDerWaalsContact O-N 3.17Å; C1121-L1125 HydrophobicContact CB-CD1 4.32Å; C1121-V1169 HydrophobicContact CB-CG1 4.36Å; C1121-V1169 WeakPolarHBondContact O-CG1 3.37Å |
| 1122 | D | 83.6 | Confident | 84.7 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.8 | -41.7 | -178.2 | -70.3 | -24.7 | 0 | 0 | 0 | 112.4 | R1118 H1119 I1120 N1170 | R1118-D1122 WeakPolarHBondContact O-CB 3.44Å; R1118-D1122 VanDerWaalsContact O-CG 3.31Å; R1118-D1122 PolarHBondContact O-N 3.32Å; H1119-D1122 PolarHBondContact O-N 2.63Å; I1120-D1122 VanDerWaalsContact C-N 3.28Å; I1120-D1122 PolarHBondContact O-N 2.94Å; D1122-N1170 VanDerWaalsContact CA-ND2 3.33Å; D1122-N1170 WeakPolarHBondContact CA-ND2 3.22Å; D1122-N1170 PolarHBondContact O-ND2 3.21Å; D1122-N1170 WeakPolarHBondContact OD1-CB 3.4Å; D1122-N1170 PolarHBondContact OD1-OD1 3.4Å |
| 1123 | H | 83.4 | Confident | 85 | Confident | 67 Ų | 67 | 59 Ų | 59 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -106.5 | -28.9 | -170.4 | -65.4 | -78.9 | 0 | 0 | 0 | 115.1 | H1119 | H1119-H1123 AromaticContact CD2-CD2 3.59Å; H1119-H1123 AromaticContact CE1-CD2 3.97Å; H1119-H1123 AromaticContact CG-CD2 3.99Å; H1119-H1123 AromaticContact NE2-CD2 3.59Å; H1119-H1123 WeakPolarHBondContact O-CB 3.29Å; H1119-H1123 PolarHBondContact O-CD2 3.15Å; H1119-H1123 PolarHBondContact O-N 2.81Å |
| 1124 | E | 85.5 | Confident | 85.3 | Confident | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -1.5 | -166.2 | -63.2 | -178.2 | -139.2 | 0 | 0 | 115 | I1120 L1131 | I1120-E1124 HydrophobicContact CG2-CB 3.99Å; I1120-E1124 WeakPolarHBondContact O-CA 3.4Å; I1120-E1124 WeakPolarHBondContact O-CB 3.33Å; I1120-E1124 PolarHBondContact O-N 2.66Å; E1124-L1131 WeakPolarHBondContact O-CD1 2.95Å; E1124-L1131 WeakPolarHBondContact O-CD2 3.49Å |
| 1125 | L | 86.8 | Confident | 85.5 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -46.4 | 175.8 | -68.3 | -177 | 0 | 0 | 0 | 113.7 | Q1039 I1120 C1121 V1169 | Q1039-L1125 HydrophobicContact CG-CD1 4.48Å; Q1039-L1125 HydrophobicContact CG-CD2 4.08Å; I1120-L1125 PolarHBondContact O-N 2.6Å; C1121-L1125 HydrophobicContact CB-CD1 4.32Å; L1125-V1169 HydrophobicContact CB-CG1 4.02Å; L1125-V1169 HydrophobicContact CD1-CG1 3.8Å |
| 1126 | L | 87.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -15.1 | -171.5 | -68.6 | 178.3 | 0 | 0 | 0 | 114.9 | L1133 N1134 L1137 M1166 V1169 V1173 | L1126-L1133 HydrophobicContact CD2-CB 3.52Å; L1126-L1133 HydrophobicContact CD2-CD1 4.25Å; L1126-N1134 WeakPolarHBondContact O-CB 3.34Å; L1126-N1134 PolarHBondContact O-ND2 2.67Å; L1126-L1137 HydrophobicContact CB-CD2 4.5Å; L1126-M1166 WeakPolarHBondContact CD1-O 3.4Å; L1126-M1166 HydrophobicContact CD2-CE 3.68Å; L1126-V1169 HydrophobicContact CD1-CB 3.73Å; L1126-V1169 HydrophobicContact CD1-CG1 4.04Å; L1126-V1169 HydrophobicContact CD1-CG2 4.03Å; L1126-V1169 HydrophobicContact CG-CG1 4.33Å; L1126-V1173 HydrophobicContact CB-CG2 4.15Å; L1126-V1173 HydrophobicContact CD1-CG1 4.26Å; L1126-V1173 HydrophobicContact CD1-CG2 4.21Å |
| 1127 | K | 80.6 | Confident | 86 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -50.3 | -168.8 | -169.1 | 169.4 | -179 | 160.2 | 0 | 113 | N1134 E1172 | K1127-N1134 PolarHBondContact O-ND2 3.18Å; K1127-E1172 IonicContact NZ-OE1 3.63Å; K1127-E1172 IonicContact NZ-OE2 2.64Å; K1127-E1172 PolarHBondContact NZ-OE2 3.32Å |
| 1128 | S | 77.9 | Confident | 86.2 | Confident | 51 Ų | 51 | 56 Ų | 56 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.6 | 132.2 | -177.1 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | D1130 L1131 N1134 | S1128-D1130 PolarHBondContact O-N 3.33Å; S1128-L1131 WeakPolarHBondContact O-CB 3.47Å; S1128-L1131 PolarHBondContact O-N 2.99Å; S1128-L1131 VanDerWaalsContact O-N 3.16Å; S1128-N1134 WeakPolarHBondContact O-CB 3.2Å |
| 1129 | P | 74.6 | Confident | 86.5 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.1 | -176.1 | 27.1 | -34.9 | 0 | 0 | 0 | 113.3 | L1131 | P1129-L1131 PolarHBondContact O-N 3.49Š|
| 1130 | D | 78.3 | Confident | 86.9 | Confident | 155 Ų | 155 | 49.5 Ų | 49.5 | 83% | 0.829 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -10.7 | 178.8 | -55.3 | -40.1 | 0 | 0 | 0 | 113 | S1128 | S1128-D1130 PolarHBondContact O-N 3.33Š|
| 1131 | L | 83.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -84.4 | 137.7 | -179.3 | -60.5 | 165.8 | 0 | 0 | 0 | 111.1 | E1124 S1128 P1129 L1133 N1134 P1135 | E1124-L1131 WeakPolarHBondContact O-CD1 2.95Å; E1124-L1131 WeakPolarHBondContact O-CD2 3.49Å; S1128-L1131 WeakPolarHBondContact O-CB 3.47Å; S1128-L1131 PolarHBondContact O-N 2.99Å; S1128-L1131 VanDerWaalsContact O-N 3.16Å; P1129-L1131 PolarHBondContact O-N 3.49Å; L1131-L1133 PolarHBondContact O-N 3.5Å; L1131-L1133 VanDerWaalsContact O-N 3.08Å; L1131-N1134 PolarHBondContact O-N 3.49Å; L1131-N1134 VanDerWaalsContact O-N 3.16Å; L1131-P1135 WeakPolarHBondContact O-CD 3.35Å |
| 1132 | I | 84.7 | Confident | 87.6 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 30% | 0.297 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.8 | -175.1 | -157.7 | 167.6 | 0 | 0 | 0 | 113.6 | L948 L1136 | L948-I1132 HydrophobicContact CB-CD1 4.38Å; L948-I1132 HydrophobicContact CD1-CG2 4.49Å; I1132-L1136 VanDerWaalsContact O-CD1 3.32Å; I1132-L1136 WeakPolarHBondContact O-CD1 3.36Å; I1132-L1136 VanDerWaalsContact O-CG 3.28Å; I1132-L1136 WeakPolarHBondContact O-CG 3.41Å |
| 1133 | L | 89.9 | Confident | 88.2 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81.4 | -22.8 | -176.4 | -62.4 | 178.5 | 0 | 0 | 0 | 113.4 | L948 T1036 L1126 L1131 L1136 L1137 | L948-L1133 HydrophobicContact CD1-CD2 4.03Å; T1036-L1133 HydrophobicContact CG2-CD1 4.46Å; L1126-L1133 HydrophobicContact CD2-CB 3.52Å; L1126-L1133 HydrophobicContact CD2-CD1 4.25Å; L1131-L1133 PolarHBondContact O-N 3.5Å; L1131-L1133 VanDerWaalsContact O-N 3.08Å; L1133-L1136 HydrophobicContact CD2-CD1 4.23Å; L1133-L1136 CarbonylContact O-C 3.6Å; L1133-L1136 PolarHBondContact O-N 3.29Å; L1133-L1137 WeakPolarHBondContact O-CB 3.36Å; L1133-L1137 PolarHBondContact O-N 3.02Å |
| 1134 | N | 90.6 | Very high | 88.8 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | -179.7 | 177.7 | -73.8 | 0 | 0 | 0 | 112.4 | L1126 K1127 S1128 L1131 L1136 L1137 N1138 | L1126-N1134 WeakPolarHBondContact O-CB 3.34Å; L1126-N1134 PolarHBondContact O-ND2 2.67Å; K1127-N1134 PolarHBondContact O-ND2 3.18Å; S1128-N1134 WeakPolarHBondContact O-CB 3.2Å; L1131-N1134 PolarHBondContact O-N 3.49Å; L1131-N1134 VanDerWaalsContact O-N 3.16Å; N1134-L1136 PolarHBondContact O-N 3.49Å; N1134-L1137 WeakPolarHBondContact O-CB 3.39Å; N1134-L1137 PolarHBondContact O-N 3.32Å; N1134-N1138 PolarHBondContact O-N 3.37Å; N1134-N1138 VanDerWaalsContact O-N 3.14Å; N1134-N1138 PolarHBondContact O-ND2 3.15Å; N1134-N1138 PolarHBondContact OD1-ND2 3.31Å |
| 1135 | P | 91.2 | Very high | 89.2 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 172.8 | -24 | 33.9 | 0 | 0 | 0 | 112.8 | L1131 N1138 F1139 | L1131-P1135 WeakPolarHBondContact O-CD 3.35Å; P1135-N1138 PolarHBondContact O-N 3.22Å; P1135-F1139 WeakPolarHBondContact O-CB 3.35Å; P1135-F1139 PolarHBondContact O-N 3.12Å |
| 1136 | L | 94 | Very high | 89.5 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.12 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | 178 | -62.9 | 173.4 | 0 | 0 | 0 | 111.9 | L948 F1028 I1032 I1132 L1133 N1134 N1138 F1139 V1140 | L948-L1136 HydrophobicContact CD1-CD1 4.13Å; L948-L1136 HydrophobicContact CD2-CD1 4.35Å; F1028-L1136 HydrophobicContact CE1-CD2 4.18Å; F1028-L1136 HydrophobicContact CZ-CD2 3.94Å; I1032-L1136 HydrophobicContact CD1-CB 4.31Å; I1032-L1136 HydrophobicContact CD1-CD2 3.89Å; I1032-L1136 HydrophobicContact CD1-CG 4.46Å; I1032-L1136 HydrophobicContact CG1-CD1 4.21Å; I1032-L1136 HydrophobicContact CG1-CD2 4.44Å; I1032-L1136 HydrophobicContact CG2-CB 4.1Å; I1132-L1136 VanDerWaalsContact O-CD1 3.32Å; I1132-L1136 WeakPolarHBondContact O-CD1 3.36Å; I1132-L1136 VanDerWaalsContact O-CG 3.28Å; I1132-L1136 WeakPolarHBondContact O-CG 3.41Å; L1133-L1136 HydrophobicContact CD2-CD1 4.23Å; L1133-L1136 CarbonylContact O-C 3.6Å; L1133-L1136 PolarHBondContact O-N 3.29Å; N1134-L1136 PolarHBondContact O-N 3.49Å; L1136-N1138 VanDerWaalsContact C-N 3.35Å; L1136-F1139 WeakPolarHBondContact O-CB 3.36Å; L1136-F1139 PolarHBondContact O-N 3.41Å; L1136-V1140 WeakPolarHBondContact O-CB 3.35Å; L1136-V1140 VanDerWaalsContact O-CG2 3.28Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.32Å; L1136-V1140 PolarHBondContact O-N 3.34Å |
| 1137 | L | 94.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 172.6 | 175.1 | 62.2 | 0 | 0 | 0 | 110.7 | L1126 L1133 N1134 F1139 V1140 T1141 L1163 M1166 V1173 | L1126-L1137 HydrophobicContact CB-CD2 4.5Å; L1133-L1137 WeakPolarHBondContact O-CB 3.36Å; L1133-L1137 PolarHBondContact O-N 3.02Å; N1134-L1137 WeakPolarHBondContact O-CB 3.39Å; N1134-L1137 PolarHBondContact O-N 3.32Å; L1137-F1139 VanDerWaalsContact C-N 3.31Å; L1137-F1139 PolarHBondContact O-N 3.14Å; L1137-V1140 PolarHBondContact O-N 3.25Å; L1137-T1141 VanDerWaalsContact O-CB 3.29Å; L1137-T1141 WeakPolarHBondContact O-CB 3.48Å; L1137-T1141 PolarHBondContact O-N 3.25Å; L1137-T1141 PolarHBondContact O-OG1 3.1Å; L1137-L1163 HydrophobicContact CD1-CD1 4.39Å; L1137-M1166 HydrophobicContact CB-CE 3.56Å; L1137-M1166 HydrophobicContact CB-SD 4.38Å; L1137-M1166 HydrophobicContact CD1-CB 4.1Å; L1137-M1166 HydrophobicContact CD1-CE 4.08Å; L1137-M1166 HydrophobicContact CD1-SD 4.06Å; L1137-M1166 HydrophobicContact CG-CE 4.4Å; L1137-V1173 HydrophobicContact CD1-CG1 4.01Å; L1137-V1173 HydrophobicContact CD2-CG1 3.62Å; L1137-V1173 HydrophobicContact CD2-CG2 4.16Å; L1137-V1173 HydrophobicContact CG-CG1 4.46Å |
| 1138 | N | 93.1 | Very high | 90 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.9 | -67.1 | -30.9 | 0 | 0 | 0 | 111 | N1134 P1135 L1136 T1141 Y1142 | N1134-N1138 PolarHBondContact O-N 3.37Å; N1134-N1138 VanDerWaalsContact O-N 3.14Å; N1134-N1138 PolarHBondContact O-ND2 3.15Å; N1134-N1138 PolarHBondContact OD1-ND2 3.31Å; P1135-N1138 PolarHBondContact O-N 3.22Å; L1136-N1138 VanDerWaalsContact C-N 3.35Å; N1138-T1141 PolarHBondContact O-N 3.05Å; N1138-Y1142 VanDerWaalsContact O-CB 3.28Å; N1138-Y1142 WeakPolarHBondContact O-CB 3.5Å; N1138-Y1142 PolarHBondContact O-N 3.28Å |
| 1139 | F | 93.4 | Very high | 90.5 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 30% | 0.303 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 175 | 179.1 | -115.5 | 0 | 0 | 0 | 112.7 | L1025 F1028 L1029 P1135 L1136 L1137 T1141 Y1142 V1143 | L1025-F1139 HydrophobicContact CD1-CE1 3.89Å; L1025-F1139 HydrophobicContact CD1-CZ 3.67Å; F1028-F1139 HydrophobicContact CD1-CE1 4.39Å; F1028-F1139 HydrophobicContact CE1-CE1 4.42Å; L1029-F1139 HydrophobicContact CD2-CD1 4.29Å; L1029-F1139 HydrophobicContact CD2-CE1 4.01Å; P1135-F1139 WeakPolarHBondContact O-CB 3.35Å; P1135-F1139 PolarHBondContact O-N 3.12Å; L1136-F1139 WeakPolarHBondContact O-CB 3.36Å; L1136-F1139 PolarHBondContact O-N 3.41Å; L1137-F1139 VanDerWaalsContact C-N 3.31Å; L1137-F1139 PolarHBondContact O-N 3.14Å; F1139-T1141 VanDerWaalsContact C-N 3.33Å; F1139-T1141 PolarHBondContact O-N 3.16Å; F1139-Y1142 WeakPolarHBondContact O-CB 3.49Å; F1139-Y1142 PolarHBondContact O-N 3.23Å; F1139-V1143 HydrophobicContact CE1-CG2 4.46Å; F1139-V1143 HydrophobicContact CE2-CG2 4.21Å; F1139-V1143 HydrophobicContact CZ-CG2 4.17Å; F1139-V1143 WeakPolarHBondContact O-CG2 3.3Å; F1139-V1143 PolarHBondContact O-N 2.85Å |
| 1140 | V | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 111 | L1029 I1032 L1136 L1137 Y1142 V1143 C1144 A1159 A1162 L1163 M1166 | L1029-V1140 HydrophobicContact CD2-CG2 3.78Å; I1032-V1140 HydrophobicContact CD1-CG2 4.34Å; I1032-V1140 HydrophobicContact CG2-CG2 4.17Å; L1136-V1140 WeakPolarHBondContact O-CB 3.35Å; L1136-V1140 VanDerWaalsContact O-CG2 3.28Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.32Å; L1136-V1140 PolarHBondContact O-N 3.34Å; L1137-V1140 PolarHBondContact O-N 3.25Å; V1140-Y1142 VanDerWaalsContact C-N 3.33Å; V1140-Y1142 PolarHBondContact O-N 2.92Å; V1140-V1143 PolarHBondContact O-N 2.91Å; V1140-C1144 PolarHBondContact O-N 3.37Å; V1140-C1144 PolarHBondContact O-SG 3.48Å; V1140-A1159 WeakPolarHBondContact CG1-O 3.49Å; V1140-A1162 HydrophobicContact CG1-CB 4.07Å; V1140-A1162 HydrophobicContact CG2-CB 4.34Å; V1140-L1163 HydrophobicContact CG1-CB 3.76Å; V1140-M1166 HydrophobicContact CB-SD 4.3Å; V1140-M1166 HydrophobicContact CG1-SD 4.49Å; V1140-M1166 HydrophobicContact CG2-SD 4.09Å |
| 1141 | T | 96 | Very high | 91.7 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | L1137 N1138 F1139 C1144 S1145 R1177 L1180 | L1137-T1141 VanDerWaalsContact O-CB 3.29Å; L1137-T1141 WeakPolarHBondContact O-CB 3.48Å; L1137-T1141 PolarHBondContact O-N 3.25Å; L1137-T1141 PolarHBondContact O-OG1 3.1Å; N1138-T1141 PolarHBondContact O-N 3.05Å; F1139-T1141 VanDerWaalsContact C-N 3.33Å; F1139-T1141 PolarHBondContact O-N 3.16Å; T1141-C1144 PolarHBondContact O-N 3.39Å; T1141-S1145 WeakPolarHBondContact O-CB 3.3Å; T1141-S1145 PolarHBondContact O-N 2.71Å; T1141-S1145 PolarHBondContact O-OG 3.23Å; T1141-R1177 PolarHBondContact OG1-NE 3.22Å; T1141-L1180 HydrophobicContact CG2-CD2 4.34Å |
| 1142 | Y | 95.5 | Very high | 92.1 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.1 | -178.7 | -97.9 | 0 | 0 | 0 | 111.7 | N1138 F1139 V1140 S1145 H1146 R1149 F1150 | N1138-Y1142 VanDerWaalsContact O-CB 3.28Å; N1138-Y1142 WeakPolarHBondContact O-CB 3.5Å; N1138-Y1142 PolarHBondContact O-N 3.28Å; F1139-Y1142 WeakPolarHBondContact O-CB 3.49Å; F1139-Y1142 PolarHBondContact O-N 3.23Å; V1140-Y1142 VanDerWaalsContact C-N 3.33Å; V1140-Y1142 PolarHBondContact O-N 2.92Å; Y1142-S1145 WeakPolarHBondContact CA-OG 3.46Å; Y1142-S1145 PolarHBondContact O-N 2.89Å; Y1142-S1145 PolarHBondContact O-OG 3.33Å; Y1142-S1145 VanDerWaalsContact O-OG 3.06Å; Y1142-H1146 AromaticContact CD2-CE1 3.42Å; Y1142-H1146 VanDerWaalsContact CD2-CE1 3.42Å; Y1142-H1146 WeakPolarHBondContact CD2-CE1 3.44Å; Y1142-H1146 AromaticContact CD2-ND1 3.58Å; Y1142-H1146 AromaticContact CE2-CE1 3.22Å; Y1142-H1146 WeakPolarHBondContact CE2-CE1 3.46Å; Y1142-H1146 AromaticContact CE2-ND1 3.52Å; Y1142-H1146 AromaticContact CE2-NE2 3.68Å; Y1142-H1146 AromaticContact CZ-CE1 3.99Å; Y1142-H1146 AromaticContact CZ-ND1 3.94Å; Y1142-H1146 PolarHBondContact O-N 3.44Å; Y1142-H1146 PolarHBondContact O-ND1 2.99Å; Y1142-R1149 PolarHBondContact OH-NH1 3.24Å; Y1142-F1150 HydrophobicContact CD1-CE2 4.05Å; Y1142-F1150 HydrophobicContact CD1-CZ 4.23Å; Y1142-F1150 AromaticContact CE1-CE2 3.91Å; Y1142-F1150 HydrophobicContact CE1-CE2 3.91Å; Y1142-F1150 HydrophobicContact CE1-CZ 4.07Å |
| 1143 | V | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 111 | L1029 F1139 V1140 S1145 H1146 F1150 V1155 A1159 | L1029-V1143 HydrophobicContact CD1-CG1 4.37Å; F1139-V1143 HydrophobicContact CE1-CG2 4.46Å; F1139-V1143 HydrophobicContact CE2-CG2 4.21Å; F1139-V1143 HydrophobicContact CZ-CG2 4.17Å; F1139-V1143 WeakPolarHBondContact O-CG2 3.3Å; F1139-V1143 PolarHBondContact O-N 2.85Å; V1140-V1143 PolarHBondContact O-N 2.91Å; V1143-S1145 VanDerWaalsContact C-N 3.34Å; V1143-S1145 PolarHBondContact O-N 3.01Å; V1143-H1146 PolarHBondContact O-N 2.99Å; V1143-F1150 HydrophobicContact CB-CD2 4.22Å; V1143-F1150 HydrophobicContact CB-CE2 4.21Å; V1143-F1150 HydrophobicContact CG1-CB 4.17Å; V1143-F1150 HydrophobicContact CG1-CD1 4.17Å; V1143-F1150 HydrophobicContact CG1-CD2 3.92Å; V1143-F1150 HydrophobicContact CG1-CE2 4.35Å; V1143-F1150 HydrophobicContact CG1-CG 3.83Å; V1143-F1150 HydrophobicContact CG2-CD2 4.4Å; V1143-F1150 HydrophobicContact CG2-CE1 4.12Å; V1143-F1150 HydrophobicContact CG2-CE2 4.01Å; V1143-F1150 HydrophobicContact CG2-CZ 3.85Å; V1143-V1155 HydrophobicContact CG1-CG1 4.02Å; V1143-A1159 HydrophobicContact CB-CB 4.17Å; V1143-A1159 HydrophobicContact CG1-CB 3.57Å |
| 1144 | C | 95.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -32.2 | -179.3 | -65.4 | 0 | 0 | 0 | 0 | 113.7 | V1140 T1141 A1159 L1163 L1180 M1184 | V1140-C1144 PolarHBondContact O-N 3.37Å; V1140-C1144 PolarHBondContact O-SG 3.48Å; T1141-C1144 PolarHBondContact O-N 3.39Å; C1144-A1159 PolarHBondContact SG-O 3Å; C1144-A1159 VanDerWaalsContact SG-O 3.41Å; C1144-L1163 HydrophobicContact CB-CD2 3.96Å; C1144-L1180 HydrophobicContact CB-CD2 4.04Å; C1144-M1184 HydrophobicContact CB-CE 4.06Å; C1144-M1184 HydrophobicContact CB-SD 3.82Å |
| 1145 | S | 94.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 57 Ų | 57 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -81.1 | -11.4 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | T1141 Y1142 V1143 P1147 | T1141-S1145 WeakPolarHBondContact O-CB 3.3Å; T1141-S1145 PolarHBondContact O-N 2.71Å; T1141-S1145 PolarHBondContact O-OG 3.23Å; Y1142-S1145 WeakPolarHBondContact CA-OG 3.46Å; Y1142-S1145 PolarHBondContact O-N 2.89Å; Y1142-S1145 PolarHBondContact O-OG 3.33Å; Y1142-S1145 VanDerWaalsContact O-OG 3.06Å; V1143-S1145 VanDerWaalsContact C-N 3.34Å; V1143-S1145 PolarHBondContact O-N 3.01Å; S1145-P1147 WeakPolarHBondContact O-CD 3.45Å |
| 1146 | H | 93.7 | Very high | 93 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | trans | -122.5 | 60.1 | -178 | -60.8 | 80.6 | 0 | 0 | 0 | 112.5 | Y1142 V1143 S1148 R1149 F1150 | Y1142-H1146 AromaticContact CD2-CE1 3.42Å; Y1142-H1146 VanDerWaalsContact CD2-CE1 3.42Å; Y1142-H1146 WeakPolarHBondContact CD2-CE1 3.44Å; Y1142-H1146 AromaticContact CD2-ND1 3.58Å; Y1142-H1146 AromaticContact CE2-CE1 3.22Å; Y1142-H1146 WeakPolarHBondContact CE2-CE1 3.46Å; Y1142-H1146 AromaticContact CE2-ND1 3.52Å; Y1142-H1146 AromaticContact CE2-NE2 3.68Å; Y1142-H1146 AromaticContact CZ-CE1 3.99Å; Y1142-H1146 AromaticContact CZ-ND1 3.94Å; Y1142-H1146 PolarHBondContact O-N 3.44Å; Y1142-H1146 PolarHBondContact O-ND1 2.99Å; V1143-H1146 PolarHBondContact O-N 2.99Å; H1146-S1148 PolarHBondContact O-N 2.86Å; H1146-S1148 VanDerWaalsContact O-N 3.14Å; H1146-R1149 HydrophobicContact CB-CB 4.19Å; H1146-R1149 PolarHBondContact O-N 2.99Å; H1146-F1150 HydrophobicContact CB-CD2 4.24Å; H1146-F1150 HydrophobicContact CB-CE2 4.29Å; H1146-F1150 WeakPolarHBondContact O-CD2 3.15Å; H1146-F1150 PolarHBondContact O-N 3.42Å | ||
| 1147 | P | 89.3 | Confident | 93 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.9 | -176.3 | 26.5 | -35.5 | 0 | 0 | 0 | 113.6 | S1145 R1149 F1150 Q1156 | S1145-P1147 WeakPolarHBondContact O-CD 3.45Å; P1147-R1149 VanDerWaalsContact C-N 3.33Å; P1147-F1150 CarbonylContact O-C 3.58Å; P1147-Q1156 PolarHBondContact O-NE2 3.24Å |
| 1148 | S | 87.9 | Confident | 93.1 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 74% | 0.741 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.6 | 175.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | H1146 T1151 | H1146-S1148 PolarHBondContact O-N 2.86Å; H1146-S1148 VanDerWaalsContact O-N 3.14Å; S1148-T1151 WeakPolarHBondContact O-CG2 3.35Å |
| 1149 | R | 88.5 | Confident | 93.3 | Very high | 156 Ų | 156 | 51.7 Ų | 51.7 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.7 | 175.5 | -174.9 | 178.9 | 178.9 | 174.4 | 2.1 | 111.6 | Y1142 H1146 P1147 | Y1142-R1149 PolarHBondContact OH-NH1 3.24Å; H1146-R1149 HydrophobicContact CB-CB 4.19Å; H1146-R1149 PolarHBondContact O-N 2.99Å; P1147-R1149 VanDerWaalsContact C-N 3.33Å |
| 1150 | F | 90.6 | Very high | 93.4 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -108.8 | 74.6 | -179.7 | -58.7 | -79.9 | 0 | 0 | 0 | 109.4 | L1025 Y1142 V1143 H1146 P1147 D1152 V1155 Q1156 | L1025-F1150 HydrophobicContact CD2-CD1 4.14Å; L1025-F1150 HydrophobicContact CD2-CE1 4.09Å; Y1142-F1150 HydrophobicContact CD1-CE2 4.05Å; Y1142-F1150 HydrophobicContact CD1-CZ 4.23Å; Y1142-F1150 AromaticContact CE1-CE2 3.91Å; Y1142-F1150 HydrophobicContact CE1-CE2 3.91Å; Y1142-F1150 HydrophobicContact CE1-CZ 4.07Å; V1143-F1150 HydrophobicContact CB-CD2 4.22Å; V1143-F1150 HydrophobicContact CB-CE2 4.21Å; V1143-F1150 HydrophobicContact CG1-CB 4.17Å; V1143-F1150 HydrophobicContact CG1-CD1 4.17Å; V1143-F1150 HydrophobicContact CG1-CD2 3.92Å; V1143-F1150 HydrophobicContact CG1-CE2 4.35Å; V1143-F1150 HydrophobicContact CG1-CG 3.83Å; V1143-F1150 HydrophobicContact CG2-CD2 4.4Å; V1143-F1150 HydrophobicContact CG2-CE1 4.12Å; V1143-F1150 HydrophobicContact CG2-CE2 4.01Å; V1143-F1150 HydrophobicContact CG2-CZ 3.85Å; H1146-F1150 HydrophobicContact CB-CD2 4.24Å; H1146-F1150 HydrophobicContact CB-CE2 4.29Å; H1146-F1150 WeakPolarHBondContact O-CD2 3.15Å; H1146-F1150 PolarHBondContact O-N 3.42Å; P1147-F1150 CarbonylContact O-C 3.58Å; F1150-D1152 VanDerWaalsContact C-N 3.33Å; F1150-D1152 PolarHBondContact O-N 2.81Å; F1150-V1155 HydrophobicContact CB-CG1 4.29Å; F1150-V1155 HydrophobicContact CD1-CG1 4.35Å; F1150-Q1156 VanDerWaalsContact O-CG 3.29Å; F1150-Q1156 WeakPolarHBondContact O-CG 3.33Å; F1150-Q1156 PolarHBondContact O-NE2 2.95Å | ||
| 1151 | T | 87.6 | Confident | 93.5 | Very high | 113 Ų | 113 | 50.8 Ų | 50.8 | 69% | 0.693 | 27% | 0.274 | S | S | * | . | trans | -78.2 | -14.6 | -173 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | S1148 E1153 | S1148-T1151 WeakPolarHBondContact O-CG2 3.35Å; T1151-E1153 PolarHBondContact O-N 3.44Å | ||
| 1152 | D | 92.6 | Very high | 93.6 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -69.8 | 126.7 | -179.8 | -176.7 | -86.2 | 0 | 0 | 0 | 111.7 | A1022 F1150 T1154 V1155 Q1156 | A1022-D1152 HydrophobicContact CB-CB 3.91Å; A1022-D1152 WeakPolarHBondContact CB-OD2 3.38Å; F1150-D1152 VanDerWaalsContact C-N 3.33Å; F1150-D1152 PolarHBondContact O-N 2.81Å; D1152-T1154 PolarHBondContact O-N 3.12Å; D1152-T1154 WeakPolarHBondContact OD1-CA 3.41Å; D1152-T1154 WeakPolarHBondContact OD1-CB 3.19Å; D1152-T1154 PolarHBondContact OD1-N 3.11Å; D1152-T1154 PolarHBondContact OD1-OG1 2.92Å; D1152-V1155 HydrophobicContact CB-CB 4.13Å; D1152-V1155 HydrophobicContact CB-CG2 3.95Å; D1152-V1155 PolarHBondContact O-N 2.94Å; D1152-V1155 PolarHBondContact OD1-N 3.42Å; D1152-Q1156 WeakPolarHBondContact O-CG 3.42Å; D1152-Q1156 PolarHBondContact O-N 3.42Å | ||
| 1153 | E | 92.9 | Very high | 93.7 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | -175.9 | -177.5 | 170.9 | -161.8 | 0 | 0 | 112.7 | T1151 V1155 Q1156 A1157 S1190 | T1151-E1153 PolarHBondContact O-N 3.44Å; E1153-V1155 VanDerWaalsContact C-N 3.34Å; E1153-V1155 PolarHBondContact O-N 2.94Å; E1153-Q1156 PolarHBondContact O-N 3.14Å; E1153-A1157 WeakPolarHBondContact O-CB 3.32Å; E1153-A1157 PolarHBondContact O-N 2.79Å; E1153-S1190 WeakPolarHBondContact CG-OG 3.12Å; E1153-S1190 WeakPolarHBondContact OE1-CB 3.23Å; E1153-S1190 PolarHBondContact OE1-OG 3.01Å |
| 1154 | T | 91.5 | Very high | 93.8 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 179.4 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | S1026 D1152 S1158 | S1026-T1154 PolarHBondContact OG-OG1 3.29Å; D1152-T1154 PolarHBondContact O-N 3.12Å; D1152-T1154 WeakPolarHBondContact OD1-CA 3.41Å; D1152-T1154 WeakPolarHBondContact OD1-CB 3.19Å; D1152-T1154 PolarHBondContact OD1-N 3.11Å; D1152-T1154 PolarHBondContact OD1-OG1 2.92Å; T1154-S1158 WeakPolarHBondContact O-CB 3.44Å; T1154-S1158 PolarHBondContact O-N 3.1Å; T1154-S1158 PolarHBondContact O-OG 2.91Å |
| 1155 | V | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 173.6 | 175 | 0 | 0 | 0 | 0 | 110.3 | A1022 L1025 L1029 V1143 F1150 D1152 E1153 A1159 | A1022-V1155 HydrophobicContact CB-CG2 3.95Å; A1022-V1155 VanDerWaalsContact O-CG2 3.3Å; A1022-V1155 WeakPolarHBondContact O-CG2 3.39Å; L1025-V1155 HydrophobicContact CB-CG2 4.39Å; L1025-V1155 HydrophobicContact CD2-CG1 3.88Å; L1025-V1155 HydrophobicContact CD2-CG2 4.35Å; L1025-V1155 HydrophobicContact CG-CG1 4.17Å; L1025-V1155 HydrophobicContact CG-CG2 4.4Å; L1029-V1155 HydrophobicContact CD1-CG1 3.85Å; V1143-V1155 HydrophobicContact CG1-CG1 4.02Å; F1150-V1155 HydrophobicContact CB-CG1 4.29Å; F1150-V1155 HydrophobicContact CD1-CG1 4.35Å; D1152-V1155 HydrophobicContact CB-CB 4.13Å; D1152-V1155 HydrophobicContact CB-CG2 3.95Å; D1152-V1155 PolarHBondContact O-N 2.94Å; D1152-V1155 PolarHBondContact OD1-N 3.42Å; E1153-V1155 VanDerWaalsContact C-N 3.34Å; E1153-V1155 PolarHBondContact O-N 2.94Å; V1155-A1159 WeakPolarHBondContact O-CB 3.29Å; V1155-A1159 PolarHBondContact O-N 3.26Å |
| 1156 | Q | 94.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.4 | -69.2 | -178 | 0.8 | 0 | 0 | 112.3 | P1147 F1150 D1152 E1153 A1159 S1160 V1193 | P1147-Q1156 PolarHBondContact O-NE2 3.24Å; F1150-Q1156 VanDerWaalsContact O-CG 3.29Å; F1150-Q1156 WeakPolarHBondContact O-CG 3.33Å; F1150-Q1156 PolarHBondContact O-NE2 2.95Å; D1152-Q1156 WeakPolarHBondContact O-CG 3.42Å; D1152-Q1156 PolarHBondContact O-N 3.42Å; E1153-Q1156 PolarHBondContact O-N 3.14Å; Q1156-A1159 PolarHBondContact O-N 2.74Å; Q1156-S1160 WeakPolarHBondContact O-CB 3.38Å; Q1156-S1160 PolarHBondContact O-N 3.1Å; Q1156-S1160 PolarHBondContact O-OG 2.94Å; Q1156-V1193 HydrophobicContact CB-CG2 4.11Å |
| 1157 | A | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1153 S1160 L1161 I1192 V1193 | E1153-A1157 WeakPolarHBondContact O-CB 3.32Å; E1153-A1157 PolarHBondContact O-N 2.79Å; A1157-S1160 PolarHBondContact O-OG 3.47Å; A1157-L1161 WeakPolarHBondContact O-CB 3.42Å; A1157-L1161 PolarHBondContact O-N 3.46Å; A1157-L1161 VanDerWaalsContact O-N 3.1Å; A1157-I1192 HydrophobicContact CB-CG2 4.46Å; A1157-V1193 HydrophobicContact CB-CG2 4.09Å |
| 1158 | S | 95.4 | Very high | 94.3 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.7 | -70 | 0 | 0 | 0 | 0 | 112.7 | S1026 T1154 A1162 | S1026-S1158 WeakPolarHBondContact O-CB 3.48Å; S1026-S1158 PolarHBondContact O-OG 3.06Å; T1154-S1158 WeakPolarHBondContact O-CB 3.44Å; T1154-S1158 PolarHBondContact O-N 3.1Å; T1154-S1158 PolarHBondContact O-OG 2.91Å; S1158-A1162 WeakPolarHBondContact O-CB 3.31Å; S1158-A1162 PolarHBondContact O-N 3.29Å |
| 1159 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1029 V1140 V1143 C1144 V1155 Q1156 A1162 L1163 | L1029-A1159 HydrophobicContact CD1-CB 3.95Å; L1029-A1159 HydrophobicContact CD2-CB 4.45Å; V1140-A1159 WeakPolarHBondContact CG1-O 3.49Å; V1143-A1159 HydrophobicContact CB-CB 4.17Å; V1143-A1159 HydrophobicContact CG1-CB 3.57Å; C1144-A1159 PolarHBondContact SG-O 3Å; C1144-A1159 VanDerWaalsContact SG-O 3.41Å; V1155-A1159 WeakPolarHBondContact O-CB 3.29Å; V1155-A1159 PolarHBondContact O-N 3.26Å; Q1156-A1159 PolarHBondContact O-N 2.74Å; A1159-A1162 PolarHBondContact O-N 3.26Å; A1159-L1163 WeakPolarHBondContact O-CB 3.41Å; A1159-L1163 PolarHBondContact O-N 3.24Å |
| 1160 | S | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | -179.2 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | Q1156 A1157 L1163 A1164 M1184 | Q1156-S1160 WeakPolarHBondContact O-CB 3.38Å; Q1156-S1160 PolarHBondContact O-N 3.1Å; Q1156-S1160 PolarHBondContact O-OG 2.94Å; A1157-S1160 PolarHBondContact O-OG 3.47Å; S1160-L1163 PolarHBondContact O-N 3.41Å; S1160-A1164 PolarHBondContact O-N 3.09Å; S1160-M1184 VanDerWaalsContact CB-CE 3.46Å |
| 1161 | L | 97.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 26 Ų | 26 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 172.9 | -83.9 | 176.8 | 0 | 0 | 0 | 112.2 | A1157 L1163 A1164 K1165 N1196 | A1157-L1161 WeakPolarHBondContact O-CB 3.42Å; A1157-L1161 PolarHBondContact O-N 3.46Å; A1157-L1161 VanDerWaalsContact O-N 3.1Å; L1161-L1163 VanDerWaalsContact C-N 3.33Å; L1161-L1163 PolarHBondContact O-N 3.41Å; L1161-A1164 PolarHBondContact O-N 2.9Å; L1161-K1165 WeakPolarHBondContact O-CB 3.34Å; L1161-K1165 VanDerWaalsContact O-CG 3.31Å; L1161-K1165 WeakPolarHBondContact O-CG 3.41Å; L1161-K1165 PolarHBondContact O-N 3.19Å; L1161-N1196 HydrophobicContact CD1-CB 4.2Å; L1161-N1196 HydrophobicContact CD2-CB 3.85Å; L1161-N1196 HydrophobicContact CG-CB 4Å |
| 1162 | A | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1029 V1140 S1158 A1159 A1164 K1165 M1166 | L1029-A1162 VanDerWaalsContact O-CB 3.29Å; L1029-A1162 WeakPolarHBondContact O-CB 3.31Å; V1140-A1162 HydrophobicContact CG1-CB 4.07Å; V1140-A1162 HydrophobicContact CG2-CB 4.34Å; S1158-A1162 WeakPolarHBondContact O-CB 3.31Å; S1158-A1162 PolarHBondContact O-N 3.29Å; A1159-A1162 PolarHBondContact O-N 3.26Å; A1162-A1164 VanDerWaalsContact C-N 3.35Å; A1162-A1164 PolarHBondContact O-N 3.23Å; A1162-K1165 PolarHBondContact O-N 2.94Å; A1162-M1166 WeakPolarHBondContact O-CB 3.5Å; A1162-M1166 WeakPolarHBondContact O-CG 3.35Å; A1162-M1166 PolarHBondContact O-N 3.02Å |
| 1163 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 175.9 | 179.5 | 57.3 | 0 | 0 | 0 | 110.9 | L1137 V1140 C1144 A1159 S1160 L1161 K1165 M1166 M1167 L1180 L1181 | L1137-L1163 HydrophobicContact CD1-CD1 4.39Å; V1140-L1163 HydrophobicContact CG1-CB 3.76Å; C1144-L1163 HydrophobicContact CB-CD2 3.96Å; A1159-L1163 WeakPolarHBondContact O-CB 3.41Å; A1159-L1163 PolarHBondContact O-N 3.24Å; S1160-L1163 PolarHBondContact O-N 3.41Å; L1161-L1163 VanDerWaalsContact C-N 3.33Å; L1161-L1163 PolarHBondContact O-N 3.41Å; L1163-K1165 PolarHBondContact O-N 3.44Å; L1163-M1166 PolarHBondContact O-N 3.27Å; L1163-M1167 HydrophobicContact CD1-CG 4.21Å; L1163-M1167 HydrophobicContact CD1-SD 4.15Å; L1163-M1167 HydrophobicContact CG-CG 4.45Å; L1163-M1167 HydrophobicContact CG-SD 3.87Å; L1163-M1167 VanDerWaalsContact O-CG 3.24Å; L1163-M1167 WeakPolarHBondContact O-CG 3.38Å; L1163-M1167 PolarHBondContact O-N 3.31Å; L1163-L1180 HydrophobicContact CD2-CD2 4.03Å; L1163-L1181 HydrophobicContact CD2-CD1 4.36Å |
| 1164 | A | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1160 L1161 A1162 M1166 M1167 L1168 L1181 L1197 A1200 | S1160-A1164 PolarHBondContact O-N 3.09Å; L1161-A1164 PolarHBondContact O-N 2.9Å; A1162-A1164 VanDerWaalsContact C-N 3.35Å; A1162-A1164 PolarHBondContact O-N 3.23Å; A1164-M1166 VanDerWaalsContact C-N 3.3Å; A1164-M1166 PolarHBondContact O-N 2.93Å; A1164-M1167 PolarHBondContact O-N 3.06Å; A1164-L1168 PolarHBondContact O-N 3.07Å; A1164-L1181 HydrophobicContact CB-CD1 4.29Å; A1164-L1181 HydrophobicContact CB-CD2 4.38Å; A1164-L1197 HydrophobicContact CB-CD2 4.44Å; A1164-A1200 HydrophobicContact CB-CB 3.55Å |
| 1165 | K | 97.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 21.9 Ų | 21.9 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | 174.5 | -74.6 | -176.5 | -179.2 | -177.3 | 0 | 112.3 | E927 G1033 H1034 L1037 L1161 A1162 L1163 | E927-K1165 IonicContact OE1-NZ 3.53Å; G1033-K1165 WeakPolarHBondContact O-CB 3.4Å; G1033-K1165 WeakPolarHBondContact O-CD 3.46Å; H1034-K1165 PolarHBondContact ND1-NZ 3Å; L1037-K1165 HydrophobicContact CB-CB 4.14Å; L1037-K1165 HydrophobicContact CB-CD 4.08Å; L1037-K1165 HydrophobicContact CB-CG 4.16Å; L1037-K1165 HydrophobicContact CD2-CD 3.98Å; L1037-K1165 HydrophobicContact CD2-CG 4.07Å; L1161-K1165 WeakPolarHBondContact O-CB 3.34Å; L1161-K1165 VanDerWaalsContact O-CG 3.31Å; L1161-K1165 WeakPolarHBondContact O-CG 3.41Å; L1161-K1165 PolarHBondContact O-N 3.19Å; A1162-K1165 PolarHBondContact O-N 2.94Å; L1163-K1165 PolarHBondContact O-N 3.44Å |
| 1166 | M | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.2 | -35.7 | 175.9 | -65.8 | -178.6 | 88.6 | 0 | 0 | 112.4 | I1032 T1036 L1126 L1137 V1140 A1162 L1163 A1164 L1168 V1169 | I1032-M1166 HydrophobicContact CG2-CE 4.16Å; I1032-M1166 HydrophobicContact CG2-SD 3.84Å; T1036-M1166 HydrophobicContact CG2-CB 4.31Å; T1036-M1166 HydrophobicContact CG2-CG 3.92Å; L1126-M1166 WeakPolarHBondContact CD1-O 3.4Å; L1126-M1166 HydrophobicContact CD2-CE 3.68Å; L1137-M1166 HydrophobicContact CB-CE 3.56Å; L1137-M1166 HydrophobicContact CB-SD 4.38Å; L1137-M1166 HydrophobicContact CD1-CB 4.1Å; L1137-M1166 HydrophobicContact CD1-CE 4.08Å; L1137-M1166 HydrophobicContact CD1-SD 4.06Å; L1137-M1166 HydrophobicContact CG-CE 4.4Å; V1140-M1166 HydrophobicContact CB-SD 4.3Å; V1140-M1166 HydrophobicContact CG1-SD 4.49Å; V1140-M1166 HydrophobicContact CG2-SD 4.09Å; A1162-M1166 WeakPolarHBondContact O-CB 3.5Å; A1162-M1166 WeakPolarHBondContact O-CG 3.35Å; A1162-M1166 PolarHBondContact O-N 3.02Å; L1163-M1166 PolarHBondContact O-N 3.27Å; A1164-M1166 VanDerWaalsContact C-N 3.3Å; A1164-M1166 PolarHBondContact O-N 2.93Å; M1166-L1168 PolarHBondContact O-N 3.47Å; M1166-V1169 WeakPolarHBondContact O-CB 3.44Å; M1166-V1169 WeakPolarHBondContact O-CG2 3.5Å; M1166-V1169 PolarHBondContact O-N 3.36Å |
| 1167 | M | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -27.5 | 176.6 | -73.2 | 169.3 | 63.4 | 0 | 0 | 112.6 | L1163 A1164 V1169 C1174 R1177 L1178 L1181 L1204 F1208 | L1163-M1167 HydrophobicContact CD1-CG 4.21Å; L1163-M1167 HydrophobicContact CD1-SD 4.15Å; L1163-M1167 HydrophobicContact CG-CG 4.45Å; L1163-M1167 HydrophobicContact CG-SD 3.87Å; L1163-M1167 VanDerWaalsContact O-CG 3.24Å; L1163-M1167 WeakPolarHBondContact O-CG 3.38Å; L1163-M1167 PolarHBondContact O-N 3.31Å; A1164-M1167 PolarHBondContact O-N 3.06Å; M1167-V1169 PolarHBondContact O-N 3.47Å; M1167-C1174 HydrophobicContact CB-CB 4.25Å; M1167-C1174 HydrophobicContact CE-CB 4.37Å; M1167-C1174 WeakPolarHBondContact CE-O 3.48Å; M1167-R1177 HydrophobicContact CE-CB 4.08Å; M1167-R1177 HydrophobicContact CG-CB 4.37Å; M1167-R1177 HydrophobicContact SD-CB 3.82Å; M1167-L1178 HydrophobicContact CE-CD2 3.82Å; M1167-L1178 HydrophobicContact CE-CG 4.28Å; M1167-L1181 HydrophobicContact CE-CB 4.36Å; M1167-L1181 HydrophobicContact CE-CD2 3.85Å; M1167-L1181 HydrophobicContact SD-CB 4.47Å; M1167-L1181 HydrophobicContact SD-CD1 4.34Å; M1167-L1181 HydrophobicContact SD-CD2 3.97Å; M1167-L1204 HydrophobicContact CB-CD2 3.91Å; M1167-L1204 HydrophobicContact CE-CD1 4.07Å; M1167-F1208 VanDerWaalsContact O-CE2 3.3Å; M1167-F1208 WeakPolarHBondContact O-CE2 3.3Å |
| 1168 | L | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.5 | 176.7 | -75.8 | 166.7 | 0 | 0 | 0 | 114.1 | L1037 L1040 A1164 M1166 D1203 L1204 R1207 F1208 | L1037-L1168 HydrophobicContact CD1-CD1 3.84Å; L1040-L1168 HydrophobicContact CD2-CB 3.83Å; L1040-L1168 WeakPolarHBondContact CD2-O 3.46Å; A1164-L1168 PolarHBondContact O-N 3.07Å; M1166-L1168 PolarHBondContact O-N 3.47Å; L1168-D1203 HydrophobicContact CD1-CB 4.3Å; L1168-D1203 HydrophobicContact CD2-CB 4.03Å; L1168-L1204 HydrophobicContact CD2-CD2 3.71Å; L1168-L1204 HydrophobicContact CD2-CG 4.13Å; L1168-L1204 HydrophobicContact CG-CD2 3.89Å; L1168-L1204 HydrophobicContact CG-CG 4.46Å; L1168-R1207 HydrophobicContact CD2-CB 3.86Å; L1168-R1207 HydrophobicContact CD2-CG 4.14Å; L1168-R1207 PolarHBondContact O-NE 3.15Å; L1168-F1208 WeakPolarHBondContact O-CZ 3.49Å |
| 1169 | V | 92.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -70.6 | -48.6 | -174 | 178.9 | 0 | 0 | 0 | 0 | 112 | T1036 L1040 C1121 L1125 L1126 M1166 M1167 | T1036-V1169 HydrophobicContact CG2-CG2 3.47Å; T1036-V1169 VanDerWaalsContact CG2-CG2 3.47Å; L1040-V1169 HydrophobicContact CB-CG2 4.41Å; L1040-V1169 HydrophobicContact CD2-CG2 4.4Å; C1121-V1169 HydrophobicContact CB-CG1 4.36Å; C1121-V1169 WeakPolarHBondContact O-CG1 3.37Å; L1125-V1169 HydrophobicContact CB-CG1 4.02Å; L1125-V1169 HydrophobicContact CD1-CG1 3.8Å; L1126-V1169 HydrophobicContact CD1-CB 3.73Å; L1126-V1169 HydrophobicContact CD1-CG1 4.04Å; L1126-V1169 HydrophobicContact CD1-CG2 4.03Å; L1126-V1169 HydrophobicContact CG-CG1 4.33Å; M1166-V1169 WeakPolarHBondContact O-CB 3.44Å; M1166-V1169 WeakPolarHBondContact O-CG2 3.5Å; M1166-V1169 PolarHBondContact O-N 3.36Å; M1167-V1169 PolarHBondContact O-N 3.47Å |
| 1170 | N | 88.5 | Confident | 94.7 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | trans | -143.5 | 135.9 | -173.7 | 177.7 | -9.6 | 0 | 0 | 0 | 111.3 | D1122 E1172 V1173 C1174 | D1122-N1170 VanDerWaalsContact CA-ND2 3.33Å; D1122-N1170 WeakPolarHBondContact CA-ND2 3.22Å; D1122-N1170 PolarHBondContact O-ND2 3.21Å; D1122-N1170 WeakPolarHBondContact OD1-CB 3.4Å; D1122-N1170 PolarHBondContact OD1-OD1 3.4Å; N1170-E1172 PolarHBondContact O-N 3.17Å; N1170-E1172 PolarHBondContact OD1-N 3.27Å; N1170-V1173 HydrophobicContact CB-CB 4.49Å; N1170-V1173 HydrophobicContact CB-CG2 4.29Å; N1170-V1173 PolarHBondContact O-N 2.67Å; N1170-C1174 WeakPolarHBondContact O-CB 3.16Å; N1170-C1174 PolarHBondContact O-N 3.44Å | ||
| 1171 | A | 90.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 26% | 0.256 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.3 | -44.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1173 C1174 E1175 F1208 L1211 | A1171-V1173 VanDerWaalsContact C-N 3.27Å; A1171-V1173 PolarHBondContact O-N 3.45Å; A1171-C1174 WeakPolarHBondContact O-CB 3.42Å; A1171-C1174 PolarHBondContact O-N 2.96Å; A1171-C1174 VanDerWaalsContact O-N 3.11Å; A1171-E1175 PolarHBondContact O-N 2.87Å; A1171-F1208 HydrophobicContact CB-CD1 3.97Å; A1171-F1208 HydrophobicContact CB-CE1 3.88Å; A1171-F1208 HydrophobicContact CB-CZ 4.45Å; A1171-F1208 VanDerWaalsContact N-CZ 3.35Å; A1171-L1211 HydrophobicContact CB-CD1 3.83Å |
| 1172 | E | 88.6 | Confident | 94.7 | Very high | 106 Ų | 106 | 30.2 Ų | 30.2 | 50% | 0.495 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.3 | -27 | 179.8 | -66.7 | -173.7 | 171 | 0 | 0 | 112.9 | K1127 N1170 P1176 | K1127-E1172 IonicContact NZ-OE1 3.63Å; K1127-E1172 IonicContact NZ-OE2 2.64Å; K1127-E1172 PolarHBondContact NZ-OE2 3.32Å; N1170-E1172 PolarHBondContact O-N 3.17Å; N1170-E1172 PolarHBondContact OD1-N 3.27Å; E1172-P1176 WeakPolarHBondContact O-CD 3.4Å; E1172-P1176 VanDerWaalsContact O-CG 3.3Å; E1172-P1176 WeakPolarHBondContact O-CG 3.22Å |
| 1173 | V | 90.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.7 | -36.9 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L1126 L1137 N1170 A1171 R1177 | L1126-V1173 HydrophobicContact CB-CG2 4.15Å; L1126-V1173 HydrophobicContact CD1-CG1 4.26Å; L1126-V1173 HydrophobicContact CD1-CG2 4.21Å; L1137-V1173 HydrophobicContact CD1-CG1 4.01Å; L1137-V1173 HydrophobicContact CD2-CG1 3.62Å; L1137-V1173 HydrophobicContact CD2-CG2 4.16Å; L1137-V1173 HydrophobicContact CG-CG1 4.46Å; N1170-V1173 HydrophobicContact CB-CB 4.49Å; N1170-V1173 HydrophobicContact CB-CG2 4.29Å; N1170-V1173 PolarHBondContact O-N 2.67Å; A1171-V1173 VanDerWaalsContact C-N 3.27Å; A1171-V1173 PolarHBondContact O-N 3.45Å; V1173-R1177 WeakPolarHBondContact O-CG 3.18Å |
| 1174 | C | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -57.6 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | M1167 N1170 A1171 R1177 L1178 F1208 L1211 | M1167-C1174 HydrophobicContact CB-CB 4.25Å; M1167-C1174 HydrophobicContact CE-CB 4.37Å; M1167-C1174 WeakPolarHBondContact CE-O 3.48Å; N1170-C1174 WeakPolarHBondContact O-CB 3.16Å; N1170-C1174 PolarHBondContact O-N 3.44Å; A1171-C1174 WeakPolarHBondContact O-CB 3.42Å; A1171-C1174 PolarHBondContact O-N 2.96Å; A1171-C1174 VanDerWaalsContact O-N 3.11Å; C1174-R1177 CarbonylContact O-C 3.37Å; C1174-R1177 WeakPolarHBondContact O-CA 3.41Å; C1174-R1177 PolarHBondContact O-N 3.23Å; C1174-L1178 WeakPolarHBondContact O-CG 3.32Å; C1174-L1178 PolarHBondContact O-N 3.48Å; C1174-L1178 VanDerWaalsContact SG-CD2 3.6Å; C1174-F1208 HydrophobicContact CB-CD2 4.22Å; C1174-F1208 HydrophobicContact CB-CE2 4.19Å; C1174-L1211 HydrophobicContact CB-CD1 4.34Å |
| 1175 | E | 95 | Very high | 94.3 | Very high | 123 Ų | 123 | 33.5 Ų | 33.5 | 58% | 0.575 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -47.9 | -55 | -172.6 | -178.1 | 175.9 | -171.2 | 0 | 0 | 114.7 | A1171 R1177 L1178 L1211 | A1171-E1175 PolarHBondContact O-N 2.87Å; E1175-R1177 PolarHBondContact O-N 3.41Å; E1175-R1177 VanDerWaalsContact O-N 3.1Å; E1175-L1178 PolarHBondContact O-N 3Å; E1175-L1211 HydrophobicContact CB-CD1 4.32Å; E1175-L1211 HydrophobicContact CB-CD2 4.49Å |
| 1176 | P | 94.5 | Very high | 94.1 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 55% | 0.552 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -68.1 | -12.7 | -178.6 | 27.5 | -35.7 | 0 | 0 | 0 | 113.7 | E1172 | E1172-P1176 WeakPolarHBondContact O-CD 3.4Å; E1172-P1176 VanDerWaalsContact O-CG 3.3Å; E1172-P1176 WeakPolarHBondContact O-CG 3.22Å |
| 1177 | R | 95.1 | Very high | 94 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 18% | 0.181 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -107.8 | -6.9 | -178.5 | -55 | -170.9 | -173.3 | -4.8 | 0.4 | 113 | T1141 M1167 V1173 C1174 E1175 Q1179 L1180 L1181 | T1141-R1177 PolarHBondContact OG1-NE 3.22Å; M1167-R1177 HydrophobicContact CE-CB 4.08Å; M1167-R1177 HydrophobicContact CG-CB 4.37Å; M1167-R1177 HydrophobicContact SD-CB 3.82Å; V1173-R1177 WeakPolarHBondContact O-CG 3.18Å; C1174-R1177 CarbonylContact O-C 3.37Å; C1174-R1177 WeakPolarHBondContact O-CA 3.41Å; C1174-R1177 PolarHBondContact O-N 3.23Å; E1175-R1177 PolarHBondContact O-N 3.41Å; E1175-R1177 VanDerWaalsContact O-N 3.1Å; R1177-Q1179 PolarHBondContact O-N 3.4Å; R1177-L1180 WeakPolarHBondContact O-CB 3.38Å; R1177-L1180 PolarHBondContact O-N 3.15Å; R1177-L1180 VanDerWaalsContact O-N 3.16Å; R1177-L1181 PolarHBondContact O-N 2.88Å |
| 1178 | L | 95.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 177.3 | -77 | 176.3 | 0 | 0 | 0 | 112.2 | M1167 C1174 E1175 L1180 L1181 F1182 L1211 I1212 W1215 | M1167-L1178 HydrophobicContact CE-CD2 3.82Å; M1167-L1178 HydrophobicContact CE-CG 4.28Å; C1174-L1178 WeakPolarHBondContact O-CG 3.32Å; C1174-L1178 PolarHBondContact O-N 3.48Å; C1174-L1178 VanDerWaalsContact SG-CD2 3.6Å; E1175-L1178 PolarHBondContact O-N 3Å; L1178-L1180 VanDerWaalsContact C-N 3.3Å; L1178-L1180 PolarHBondContact O-N 2.9Å; L1178-L1181 PolarHBondContact O-N 3.42Å; L1178-L1181 VanDerWaalsContact O-N 3.14Å; L1178-F1182 HydrophobicContact CD2-CE2 4.42Å; L1178-F1182 WeakPolarHBondContact O-CD2 3.4Å; L1178-F1182 PolarHBondContact O-N 3.14Å; L1178-L1211 HydrophobicContact CD1-CB 4.14Å; L1178-I1212 HydrophobicContact CD1-CD1 4.25Å; L1178-I1212 HydrophobicContact CD2-CD1 3.38Å; L1178-I1212 HydrophobicContact CG-CD1 4.48Å; L1178-W1215 HydrophobicContact CB-CZ2 4.35Å |
| 1179 | Q | 96.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 177.8 | 178.3 | 66.6 | 62.3 | 0 | 0 | 111.4 | R1177 L1181 T1183 W1215 | R1177-Q1179 PolarHBondContact O-N 3.4Å; Q1179-L1181 VanDerWaalsContact C-N 3.35Å; Q1179-T1183 PolarHBondContact NE2-OG1 2.9Å; Q1179-T1183 VanDerWaalsContact NE2-OG1 3.11Å; Q1179-T1183 VanDerWaalsContact O-CB 3.27Å; Q1179-T1183 WeakPolarHBondContact O-CB 3.4Å; Q1179-T1183 PolarHBondContact O-N 3.43Å; Q1179-T1183 PolarHBondContact O-OG1 2.84Å; Q1179-W1215 HydrophobicContact CB-CH2 4.04Å |
| 1180 | L | 96.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.2 | 176.8 | 61 | 0 | 0 | 0 | 110.3 | T1141 C1144 L1163 R1177 L1178 T1183 M1184 | T1141-L1180 HydrophobicContact CG2-CD2 4.34Å; C1144-L1180 HydrophobicContact CB-CD2 4.04Å; L1163-L1180 HydrophobicContact CD2-CD2 4.03Å; R1177-L1180 WeakPolarHBondContact O-CB 3.38Å; R1177-L1180 PolarHBondContact O-N 3.15Å; R1177-L1180 VanDerWaalsContact O-N 3.16Å; L1178-L1180 VanDerWaalsContact C-N 3.3Å; L1178-L1180 PolarHBondContact O-N 2.9Å; L1180-T1183 WeakPolarHBondContact O-CB 3.36Å; L1180-T1183 PolarHBondContact O-N 3.35Å; L1180-M1184 HydrophobicContact CD1-CG 4.34Å; L1180-M1184 HydrophobicContact CD1-SD 4.21Å; L1180-M1184 HydrophobicContact CG-SD 4.1Å; L1180-M1184 VanDerWaalsContact O-CG 3.3Å; L1180-M1184 WeakPolarHBondContact O-CG 3.47Å; L1180-M1184 PolarHBondContact O-N 3.07Å |
| 1181 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | -178.6 | -158 | 70.7 | 0 | 0 | 0 | 112.4 | L1163 A1164 M1167 R1177 L1178 Q1179 T1183 M1184 A1185 L1197 L1201 L1204 | L1163-L1181 HydrophobicContact CD2-CD1 4.36Å; A1164-L1181 HydrophobicContact CB-CD1 4.29Å; A1164-L1181 HydrophobicContact CB-CD2 4.38Å; M1167-L1181 HydrophobicContact CE-CB 4.36Å; M1167-L1181 HydrophobicContact CE-CD2 3.85Å; M1167-L1181 HydrophobicContact SD-CB 4.47Å; M1167-L1181 HydrophobicContact SD-CD1 4.34Å; M1167-L1181 HydrophobicContact SD-CD2 3.97Å; R1177-L1181 PolarHBondContact O-N 2.88Å; L1178-L1181 PolarHBondContact O-N 3.42Å; L1178-L1181 VanDerWaalsContact O-N 3.14Å; Q1179-L1181 VanDerWaalsContact C-N 3.35Å; L1181-T1183 VanDerWaalsContact C-N 3.34Å; L1181-T1183 PolarHBondContact O-N 3.12Å; L1181-M1184 PolarHBondContact O-N 3.03Å; L1181-A1185 WeakPolarHBondContact O-CB 3.13Å; L1181-A1185 PolarHBondContact O-N 3.03Å; L1181-L1197 HydrophobicContact CD1-CD1 4.48Å; L1181-L1197 HydrophobicContact CD1-CD2 3.4Å; L1181-L1197 VanDerWaalsContact CD1-CD2 3.4Å; L1181-L1197 HydrophobicContact CG-CD2 4.05Å; L1181-L1201 HydrophobicContact CD2-CD2 3.7Å; L1181-L1201 HydrophobicContact CD2-CG 4.24Å; L1181-L1201 HydrophobicContact CG-CD2 4.38Å; L1181-L1204 HydrophobicContact CD2-CD1 3.48Å; L1181-L1204 VanDerWaalsContact CD2-CD1 3.48Å |
| 1182 | F | 96.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -35.8 | 175.4 | -84.8 | -77.1 | 0 | 0 | 0 | 112.2 | L1178 M1184 A1185 E1186 L1201 I1212 W1215 N1218 | L1178-F1182 HydrophobicContact CD2-CE2 4.42Å; L1178-F1182 WeakPolarHBondContact O-CD2 3.4Å; L1178-F1182 PolarHBondContact O-N 3.14Å; F1182-M1184 VanDerWaalsContact C-N 3.31Å; F1182-M1184 PolarHBondContact O-N 3.18Å; F1182-A1185 PolarHBondContact O-N 3.31Å; F1182-E1186 WeakPolarHBondContact O-CB 3.45Å; F1182-E1186 PolarHBondContact O-N 3.3Å; F1182-L1201 HydrophobicContact CD1-CD1 4.01Å; F1182-L1201 HydrophobicContact CD2-CD2 4.16Å; F1182-L1201 HydrophobicContact CE1-CD1 3.7Å; F1182-L1201 HydrophobicContact CE1-CD2 4.09Å; F1182-L1201 HydrophobicContact CE2-CD2 3.6Å; F1182-L1201 HydrophobicContact CZ-CD1 4.05Å; F1182-L1201 HydrophobicContact CZ-CD2 3.55Å; F1182-L1201 HydrophobicContact CZ-CG 4.37Å; F1182-I1212 HydrophobicContact CE2-CD1 4.49Å; F1182-W1215 HydrophobicContact CB-CE3 4.26Å; F1182-W1215 HydrophobicContact CB-CZ3 4.41Å; F1182-W1215 HydrophobicContact CD2-CB 4.07Å; F1182-W1215 AromaticContact CD2-CD2 3.82Å; F1182-W1215 HydrophobicContact CD2-CD2 3.82Å; F1182-W1215 AromaticContact CD2-CE3 3.64Å; F1182-W1215 HydrophobicContact CD2-CE3 3.64Å; F1182-W1215 HydrophobicContact CD2-CG 4.03Å; F1182-W1215 HydrophobicContact CD2-CZ3 4.37Å; F1182-W1215 HydrophobicContact CE1-CB 4.07Å; F1182-W1215 HydrophobicContact CE2-CB 3.35Å; F1182-W1215 AromaticContact CE2-CD2 3.92Å; F1182-W1215 HydrophobicContact CE2-CD2 3.92Å; F1182-W1215 HydrophobicContact CE2-CE3 4.14Å; F1182-W1215 AromaticContact CE2-CG 3.6Å; F1182-W1215 HydrophobicContact CE2-CG 3.6Å; F1182-W1215 AromaticContact CG-CE3 3.93Å; F1182-W1215 HydrophobicContact CG-CE3 3.93Å; F1182-W1215 HydrophobicContact CZ-CB 3.35Å; F1182-W1215 HydrophobicContact CZ-CG 4.13Å; F1182-N1218 HydrophobicContact CD1-CB 3.73Å; F1182-N1218 HydrophobicContact CE1-CB 3.82Å |
| 1183 | T | 95 | Very high | 94.5 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | Q1179 L1180 L1181 E1186 R1187 | Q1179-T1183 PolarHBondContact NE2-OG1 2.9Å; Q1179-T1183 VanDerWaalsContact NE2-OG1 3.11Å; Q1179-T1183 VanDerWaalsContact O-CB 3.27Å; Q1179-T1183 WeakPolarHBondContact O-CB 3.4Å; Q1179-T1183 PolarHBondContact O-N 3.43Å; Q1179-T1183 PolarHBondContact O-OG1 2.84Å; L1180-T1183 WeakPolarHBondContact O-CB 3.36Å; L1180-T1183 PolarHBondContact O-N 3.35Å; L1181-T1183 VanDerWaalsContact C-N 3.34Å; L1181-T1183 PolarHBondContact O-N 3.12Å; T1183-E1186 PolarHBondContact O-N 3.17Å; T1183-R1187 WeakPolarHBondContact O-CB 3.34Å; T1183-R1187 PolarHBondContact O-N 3.41Å |
| 1184 | M | 95.5 | Very high | 94.9 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.4 | -43 | 175.2 | -67.2 | 172.1 | 72.7 | 0 | 0 | 111.8 | C1144 S1160 L1180 L1181 F1182 E1186 S1188 L1197 | C1144-M1184 HydrophobicContact CB-CE 4.06Å; C1144-M1184 HydrophobicContact CB-SD 3.82Å; S1160-M1184 VanDerWaalsContact CB-CE 3.46Å; L1180-M1184 HydrophobicContact CD1-CG 4.34Å; L1180-M1184 HydrophobicContact CD1-SD 4.21Å; L1180-M1184 HydrophobicContact CG-SD 4.1Å; L1180-M1184 VanDerWaalsContact O-CG 3.3Å; L1180-M1184 WeakPolarHBondContact O-CG 3.47Å; L1180-M1184 PolarHBondContact O-N 3.07Å; L1181-M1184 PolarHBondContact O-N 3.03Å; F1182-M1184 VanDerWaalsContact C-N 3.31Å; F1182-M1184 PolarHBondContact O-N 3.18Å; M1184-E1186 PolarHBondContact O-N 2.86Å; M1184-S1188 WeakPolarHBondContact O-CB 3.41Å; M1184-S1188 PolarHBondContact O-N 2.79Å; M1184-L1197 HydrophobicContact CB-CD1 3.56Å |
| 1185 | A | 94.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -28.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1181 F1182 R1194 L1197 I1198 L1201 R1222 | L1181-A1185 WeakPolarHBondContact O-CB 3.13Å; L1181-A1185 PolarHBondContact O-N 3.03Å; F1182-A1185 PolarHBondContact O-N 3.31Å; A1185-R1194 WeakPolarHBondContact O-CD 3.29Å; A1185-L1197 HydrophobicContact CB-CB 4.15Å; A1185-L1197 HydrophobicContact CB-CD1 4.3Å; A1185-I1198 HydrophobicContact CB-CD1 4.2Å; A1185-L1201 HydrophobicContact CB-CD1 4.11Å; A1185-R1222 PolarHBondContact O-NH1 2.98Å |
| 1186 | E | 94 | Very high | 94.9 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.9 | -47.7 | 177.2 | -177.8 | -174.8 | 133.2 | 0 | 0 | 113.4 | F1182 T1183 M1184 | F1182-E1186 WeakPolarHBondContact O-CB 3.45Å; F1182-E1186 PolarHBondContact O-N 3.3Å; T1183-E1186 PolarHBondContact O-N 3.17Å; M1184-E1186 PolarHBondContact O-N 2.86Å |
| 1187 | R | 92.7 | Very high | 95 | Very high | 175 Ų | 175 | 46.2 Ų | 46.2 | 66% | 0.66 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -111.9 | -5.9 | -162.3 | -59.2 | -169.8 | 175.7 | -172.2 | -2.1 | 115.1 | T1183 Q1189 | T1183-R1187 WeakPolarHBondContact O-CB 3.34Å; T1183-R1187 PolarHBondContact O-N 3.41Å; R1187-Q1189 PolarHBondContact O-N 3.26Å |
| 1188 | S | 94.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 21% | 0.209 | C | C | . | . | trans | -60.9 | 136 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | M1184 S1190 R1194 | M1184-S1188 WeakPolarHBondContact O-CB 3.41Å; M1184-S1188 PolarHBondContact O-N 2.79Å; S1188-S1190 VanDerWaalsContact C-N 3.32Å; S1188-S1190 PolarHBondContact OG-N 3.43Å; S1188-R1194 WeakPolarHBondContact O-CD 3.41Å; S1188-R1194 PolarHBondContact O-NH1 3.35Å | ||
| 1189 | Q | 92.5 | Very high | 95.1 | Very high | 179 Ų | 179 | 46.7 Ų | 46.7 | 84% | 0.836 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -73.2 | -28.7 | 175.9 | -61.7 | -61.2 | -27.3 | 0 | 0 | 111.7 | R1187 E1191 | R1187-Q1189 PolarHBondContact O-N 3.26Å; Q1189-E1191 PolarHBondContact O-N 3.03Å |
| 1190 | S | 93.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | trans | -75.4 | 119.3 | 177 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | E1153 S1188 I1192 V1193 R1194 | E1153-S1190 WeakPolarHBondContact CG-OG 3.12Å; E1153-S1190 WeakPolarHBondContact OE1-CB 3.23Å; E1153-S1190 PolarHBondContact OE1-OG 3.01Å; S1188-S1190 VanDerWaalsContact C-N 3.32Å; S1188-S1190 PolarHBondContact OG-N 3.43Å; S1190-I1192 VanDerWaalsContact C-N 3.27Å; S1190-I1192 PolarHBondContact O-N 3.22Å; S1190-I1192 PolarHBondContact OG-N 2.94Å; S1190-V1193 PolarHBondContact O-N 3.07Å; S1190-V1193 WeakPolarHBondContact OG-CG2 3.35Å; S1190-V1193 PolarHBondContact OG-N 3.07Å; S1190-V1193 VanDerWaalsContact OG-N 3.17Å; S1190-R1194 WeakPolarHBondContact O-CG 3.38Å; S1190-R1194 PolarHBondContact O-N 3.46Å | ||
| 1191 | E | 94.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.4 | -32.1 | 172.6 | 59.1 | 165.3 | -158.4 | 0 | 0 | 112.7 | Q1189 R1194 A1195 S1227 K1229 | Q1189-E1191 PolarHBondContact O-N 3.03Å; E1191-R1194 PolarHBondContact O-N 3.44Å; E1191-A1195 VanDerWaalsContact O-CB 3.24Å; E1191-A1195 WeakPolarHBondContact O-CB 3.47Å; E1191-A1195 PolarHBondContact O-N 3.03Å; E1191-S1227 PolarHBondContact OE2-OG 3.21Å; E1191-K1229 WeakPolarHBondContact OE1-CD 3.3Å; E1191-K1229 WeakPolarHBondContact OE1-CE 3.38Å; E1191-K1229 IonicContact OE1-NZ 2.82Å; E1191-K1229 PolarHBondContact OE1-NZ 3.35Å |
| 1192 | I | 93.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 40 Ų | 40 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 178.1 | -60.4 | 173.4 | 0 | 0 | 0 | 109.5 | A1157 S1190 A1195 N1196 | A1157-I1192 HydrophobicContact CB-CG2 4.46Å; S1190-I1192 VanDerWaalsContact C-N 3.27Å; S1190-I1192 PolarHBondContact O-N 3.22Å; S1190-I1192 PolarHBondContact OG-N 2.94Å; I1192-A1195 PolarHBondContact O-N 2.62Å; I1192-N1196 VanDerWaalsContact O-CB 3.27Å; I1192-N1196 WeakPolarHBondContact O-CB 3.34Å; I1192-N1196 VanDerWaalsContact O-CG 3.22Å; I1192-N1196 PolarHBondContact O-N 2.68Å; I1192-N1196 PolarHBondContact O-ND2 3.48Å |
| 1193 | V | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | Q1156 A1157 S1190 A1195 L1197 | Q1156-V1193 HydrophobicContact CB-CG2 4.11Å; A1157-V1193 HydrophobicContact CB-CG2 4.09Å; S1190-V1193 PolarHBondContact O-N 3.07Å; S1190-V1193 WeakPolarHBondContact OG-CG2 3.35Å; S1190-V1193 PolarHBondContact OG-N 3.07Å; S1190-V1193 VanDerWaalsContact OG-N 3.17Å; V1193-A1195 PolarHBondContact O-N 2.75Å; V1193-L1197 HydrophobicContact CG1-CD1 3.9Å; V1193-L1197 HydrophobicContact CG1-CG 4.39Å; V1193-L1197 WeakPolarHBondContact O-CB 3.44Å; V1193-L1197 VanDerWaalsContact O-CG 3.23Å; V1193-L1197 WeakPolarHBondContact O-CG 3.22Å; V1193-L1197 PolarHBondContact O-N 3.48Å |
| 1194 | R | 97.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | 179.9 | -64.6 | -162 | -52.8 | -100.9 | 5.2 | 110.9 | A1185 S1188 S1190 E1191 N1196 L1197 I1198 D1225 V1230 | A1185-R1194 WeakPolarHBondContact O-CD 3.29Å; S1188-R1194 WeakPolarHBondContact O-CD 3.41Å; S1188-R1194 PolarHBondContact O-NH1 3.35Å; S1190-R1194 WeakPolarHBondContact O-CG 3.38Å; S1190-R1194 PolarHBondContact O-N 3.46Å; E1191-R1194 PolarHBondContact O-N 3.44Å; R1194-N1196 PolarHBondContact O-N 3.19Å; R1194-L1197 PolarHBondContact O-N 3.45Å; R1194-I1198 VanDerWaalsContact O-CG1 3.31Å; R1194-I1198 WeakPolarHBondContact O-CG1 3.4Å; R1194-I1198 PolarHBondContact O-N 2.93Å; R1194-I1198 VanDerWaalsContact O-N 3.08Å; R1194-D1225 IonicContact CZ-OD1 2.89Å; R1194-D1225 IonicContact CZ-OD2 3.6Å; R1194-D1225 IonicContact NE-OD1 3.15Å; R1194-D1225 PolarHBondContact NE-OD1 2.78Å; R1194-D1225 IonicContact NE-OD2 3.26Å; R1194-D1225 PolarHBondContact NE-OD2 3.09Å; R1194-D1225 IonicContact NH2-OD1 2.62Å; R1194-D1225 PolarHBondContact NH2-OD1 3.3Å; R1194-V1230 HydrophobicContact CB-CG1 4.27Å; R1194-V1230 HydrophobicContact CB-CG2 3.66Å |
| 1195 | A | 95.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1191 I1192 V1193 I1198 V1230 N1233 | E1191-A1195 VanDerWaalsContact O-CB 3.24Å; E1191-A1195 WeakPolarHBondContact O-CB 3.47Å; E1191-A1195 PolarHBondContact O-N 3.03Å; I1192-A1195 PolarHBondContact O-N 2.62Å; V1193-A1195 PolarHBondContact O-N 2.75Å; A1195-I1198 PolarHBondContact O-N 3.47Å; A1195-V1230 HydrophobicContact CB-CG2 4.05Å; A1195-N1233 PolarHBondContact O-ND2 3.2Å |
| 1196 | N | 94.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.2 | -75.6 | -12.6 | 0 | 0 | 0 | 112 | L1161 I1192 R1194 I1198 V1199 A1200 | L1161-N1196 HydrophobicContact CD1-CB 4.2Å; L1161-N1196 HydrophobicContact CD2-CB 3.85Å; L1161-N1196 HydrophobicContact CG-CB 4Å; I1192-N1196 VanDerWaalsContact O-CB 3.27Å; I1192-N1196 WeakPolarHBondContact O-CB 3.34Å; I1192-N1196 VanDerWaalsContact O-CG 3.22Å; I1192-N1196 PolarHBondContact O-N 2.68Å; I1192-N1196 PolarHBondContact O-ND2 3.48Å; R1194-N1196 PolarHBondContact O-N 3.19Å; N1196-I1198 VanDerWaalsContact C-N 3.31Å; N1196-I1198 PolarHBondContact O-N 2.86Å; N1196-V1199 PolarHBondContact O-N 3.43Å; N1196-A1200 PolarHBondContact O-N 2.75Å |
| 1197 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -31.8 | 177.8 | -75.5 | -178.7 | 0 | 0 | 0 | 112.7 | A1164 L1181 M1184 A1185 V1193 R1194 A1200 L1201 | A1164-L1197 HydrophobicContact CB-CD2 4.44Å; L1181-L1197 HydrophobicContact CD1-CD1 4.48Å; L1181-L1197 HydrophobicContact CD1-CD2 3.4Å; L1181-L1197 VanDerWaalsContact CD1-CD2 3.4Å; L1181-L1197 HydrophobicContact CG-CD2 4.05Å; M1184-L1197 HydrophobicContact CB-CD1 3.56Å; A1185-L1197 HydrophobicContact CB-CB 4.15Å; A1185-L1197 HydrophobicContact CB-CD1 4.3Å; V1193-L1197 HydrophobicContact CG1-CD1 3.9Å; V1193-L1197 HydrophobicContact CG1-CG 4.39Å; V1193-L1197 WeakPolarHBondContact O-CB 3.44Å; V1193-L1197 VanDerWaalsContact O-CG 3.23Å; V1193-L1197 WeakPolarHBondContact O-CG 3.22Å; V1193-L1197 PolarHBondContact O-N 3.48Å; R1194-L1197 PolarHBondContact O-N 3.45Å; L1197-A1200 PolarHBondContact O-N 3.3Å; L1197-L1201 VanDerWaalsContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CB 3.48Å; L1197-L1201 WeakPolarHBondContact O-CG 3.24Å; L1197-L1201 PolarHBondContact O-N 3.3Å |
| 1198 | I | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.7 | -61.2 | -36.8 | 0 | 0 | 0 | 111.4 | A1185 R1194 A1195 N1196 A1200 L1201 G1202 L1219 R1222 V1230 A1234 | A1185-I1198 HydrophobicContact CB-CD1 4.2Å; R1194-I1198 VanDerWaalsContact O-CG1 3.31Å; R1194-I1198 WeakPolarHBondContact O-CG1 3.4Å; R1194-I1198 PolarHBondContact O-N 2.93Å; R1194-I1198 VanDerWaalsContact O-N 3.08Å; A1195-I1198 PolarHBondContact O-N 3.47Å; N1196-I1198 VanDerWaalsContact C-N 3.31Å; N1196-I1198 PolarHBondContact O-N 2.86Å; I1198-A1200 VanDerWaalsContact C-N 3.33Å; I1198-A1200 PolarHBondContact O-N 3.25Å; I1198-L1201 HydrophobicContact CD1-CD1 4.42Å; I1198-L1201 PolarHBondContact O-N 3.37Å; I1198-G1202 PolarHBondContact O-N 2.9Å; I1198-L1219 HydrophobicContact CG2-CD1 4.15Å; I1198-R1222 HydrophobicContact CD1-CB 3.95Å; I1198-R1222 HydrophobicContact CD1-CG 3.52Å; I1198-R1222 HydrophobicContact CG1-CB 4.41Å; I1198-R1222 HydrophobicContact CG1-CG 4.46Å; I1198-V1230 HydrophobicContact CG1-CG1 3.97Å; I1198-A1234 VanDerWaalsContact CG2-CA 3.43Å; I1198-A1234 HydrophobicContact CG2-CB 3.87Å |
| 1199 | V | 96 | Very high | 94.3 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | N1196 L1201 G1202 D1203 N1233 | N1196-V1199 PolarHBondContact O-N 3.43Å; V1199-L1201 PolarHBondContact O-N 2.93Å; V1199-G1202 WeakPolarHBondContact O-CA 3.27Å; V1199-G1202 PolarHBondContact O-N 2.96Å; V1199-D1203 PolarHBondContact O-N 3.5Å; V1199-D1203 VanDerWaalsContact O-N 3.07Å; V1199-N1233 HydrophobicContact CG2-CB 4.13Å |
| 1200 | A | 95.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -35 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1164 N1196 L1197 I1198 G1202 D1203 L1204 | A1164-A1200 HydrophobicContact CB-CB 3.55Å; N1196-A1200 PolarHBondContact O-N 2.75Å; L1197-A1200 PolarHBondContact O-N 3.3Å; I1198-A1200 VanDerWaalsContact C-N 3.33Å; I1198-A1200 PolarHBondContact O-N 3.25Å; A1200-G1202 VanDerWaalsContact C-N 3.25Å; A1200-G1202 PolarHBondContact O-N 3.49Å; A1200-D1203 PolarHBondContact O-N 3.09Å; A1200-L1204 WeakPolarHBondContact O-CG 3.36Å; A1200-L1204 PolarHBondContact O-N 3.11Å |
| 1201 | L | 96.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -33.1 | 170.5 | -77.6 | 169.4 | 0 | 0 | 0 | 111.5 | L1181 F1182 A1185 L1197 I1198 V1199 L1204 C1205 L1219 | L1181-L1201 HydrophobicContact CD2-CD2 3.7Å; L1181-L1201 HydrophobicContact CD2-CG 4.24Å; L1181-L1201 HydrophobicContact CG-CD2 4.38Å; F1182-L1201 HydrophobicContact CD1-CD1 4.01Å; F1182-L1201 HydrophobicContact CD2-CD2 4.16Å; F1182-L1201 HydrophobicContact CE1-CD1 3.7Å; F1182-L1201 HydrophobicContact CE1-CD2 4.09Å; F1182-L1201 HydrophobicContact CE2-CD2 3.6Å; F1182-L1201 HydrophobicContact CZ-CD1 4.05Å; F1182-L1201 HydrophobicContact CZ-CD2 3.55Å; F1182-L1201 HydrophobicContact CZ-CG 4.37Å; A1185-L1201 HydrophobicContact CB-CD1 4.11Å; L1197-L1201 VanDerWaalsContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CB 3.48Å; L1197-L1201 WeakPolarHBondContact O-CG 3.24Å; L1197-L1201 PolarHBondContact O-N 3.3Å; I1198-L1201 HydrophobicContact CD1-CD1 4.42Å; I1198-L1201 PolarHBondContact O-N 3.37Å; V1199-L1201 PolarHBondContact O-N 2.93Å; L1201-L1204 HydrophobicContact CD2-CD1 4.31Å; L1201-L1204 PolarHBondContact O-N 3.44Å; L1201-C1205 WeakPolarHBondContact O-CB 3.49Å; L1201-C1205 PolarHBondContact O-N 3.06Å; L1201-L1219 HydrophobicContact CB-CD1 4.17Å; L1201-L1219 HydrophobicContact CD1-CD1 4.41Å |
| 1202 | G | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | I1198 V1199 A1200 C1205 R1206 T1237 | I1198-G1202 PolarHBondContact O-N 2.9Å; V1199-G1202 WeakPolarHBondContact O-CA 3.27Å; V1199-G1202 PolarHBondContact O-N 2.96Å; A1200-G1202 VanDerWaalsContact C-N 3.25Å; A1200-G1202 PolarHBondContact O-N 3.49Å; G1202-C1205 WeakPolarHBondContact O-CB 3.37Å; G1202-C1205 PolarHBondContact O-N 3.01Å; G1202-R1206 PolarHBondContact O-N 3.35Å; G1202-R1206 VanDerWaalsContact O-N 3.08Å; G1202-T1237 VanDerWaalsContact CA-CG2 3.41Å |
| 1203 | D | 94.7 | Very high | 93.9 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 31% | 0.31 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.7 | -63 | -23.6 | 0 | 0 | 0 | 111.6 | L1168 V1199 A1200 C1205 R1206 R1207 | L1168-D1203 HydrophobicContact CD1-CB 4.3Å; L1168-D1203 HydrophobicContact CD2-CB 4.03Å; V1199-D1203 PolarHBondContact O-N 3.5Å; V1199-D1203 VanDerWaalsContact O-N 3.07Å; A1200-D1203 PolarHBondContact O-N 3.09Å; D1203-C1205 VanDerWaalsContact C-N 3.29Å; D1203-C1205 PolarHBondContact O-N 2.91Å; D1203-R1206 PolarHBondContact O-N 3.37Å; D1203-R1206 IonicContact OD1-CZ 2.82Å; D1203-R1206 IonicContact OD1-NH1 2.84Å; D1203-R1206 PolarHBondContact OD1-NH1 3.49Å; D1203-R1206 IonicContact OD1-NH2 3.58Å; D1203-R1207 WeakPolarHBondContact O-CB 3.47Å; D1203-R1207 PolarHBondContact O-N 3.16Å |
| 1204 | L | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -34.8 | 174.2 | -70.6 | 169.2 | 0 | 0 | 0 | 112.2 | M1167 L1168 L1181 A1200 L1201 R1207 F1208 I1212 | M1167-L1204 HydrophobicContact CB-CD2 3.91Å; M1167-L1204 HydrophobicContact CE-CD1 4.07Å; L1168-L1204 HydrophobicContact CD2-CD2 3.71Å; L1168-L1204 HydrophobicContact CD2-CG 4.13Å; L1168-L1204 HydrophobicContact CG-CD2 3.89Å; L1168-L1204 HydrophobicContact CG-CG 4.46Å; L1181-L1204 HydrophobicContact CD2-CD1 3.48Å; L1181-L1204 VanDerWaalsContact CD2-CD1 3.48Å; A1200-L1204 WeakPolarHBondContact O-CG 3.36Å; A1200-L1204 PolarHBondContact O-N 3.11Å; L1201-L1204 HydrophobicContact CD2-CD1 4.31Å; L1201-L1204 PolarHBondContact O-N 3.44Å; L1204-R1207 PolarHBondContact O-N 2.96Å; L1204-F1208 HydrophobicContact CD2-CD2 4.25Å; L1204-F1208 HydrophobicContact CD2-CE2 4.36Å; L1204-F1208 PolarHBondContact O-N 2.66Å; L1204-I1212 HydrophobicContact CB-CD1 4.2Å; L1204-I1212 HydrophobicContact CB-CG1 4.33Å |
| 1205 | C | 93.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | L1201 G1202 D1203 R1207 P1209 I1212 L1241 V1247 | L1201-C1205 WeakPolarHBondContact O-CB 3.49Å; L1201-C1205 PolarHBondContact O-N 3.06Å; G1202-C1205 WeakPolarHBondContact O-CB 3.37Å; G1202-C1205 PolarHBondContact O-N 3.01Å; D1203-C1205 VanDerWaalsContact C-N 3.29Å; D1203-C1205 PolarHBondContact O-N 2.91Å; C1205-R1207 VanDerWaalsContact C-N 3.3Å; C1205-P1209 WeakPolarHBondContact O-CA 3.42Å; C1205-I1212 HydrophobicContact CB-CB 4.38Å; C1205-I1212 HydrophobicContact CB-CG2 3.94Å; C1205-L1241 HydrophobicContact CB-CD1 3.98Å; C1205-L1241 HydrophobicContact CB-CD2 4Å; C1205-V1247 WeakPolarHBondContact SG-CG2 3.43Å |
| 1206 | R | 91 | Very high | 93.1 | Very high | 103 Ų | 103 | 41.5 Ų | 41.5 | 39% | 0.389 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 174.1 | -61.1 | -165 | -148.1 | 86.8 | 5.4 | 111.8 | G1202 D1203 L1241 M1246 | G1202-R1206 PolarHBondContact O-N 3.35Å; G1202-R1206 VanDerWaalsContact O-N 3.08Å; D1203-R1206 PolarHBondContact O-N 3.37Å; D1203-R1206 IonicContact OD1-CZ 2.82Å; D1203-R1206 IonicContact OD1-NH1 2.84Å; D1203-R1206 PolarHBondContact OD1-NH1 3.49Å; D1203-R1206 IonicContact OD1-NH2 3.58Å; R1206-L1241 HydrophobicContact CG-CD2 3.59Å; R1206-M1246 HydrophobicContact CB-CE 4.22Å; R1206-M1246 HydrophobicContact CG-CG 4.26Å; R1206-M1246 VanDerWaalsContact O-CE 3.32Å; R1206-M1246 WeakPolarHBondContact O-CE 3.49Å |
| 1207 | R | 91.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.4 | -48.2 | -175.4 | -175.6 | 63.4 | 174.1 | -160.2 | 8.1 | 113.6 | E1044 L1168 D1203 L1204 C1205 | E1044-R1207 IonicContact OE1-CZ 3.16Å; E1044-R1207 IonicContact OE1-NH1 2.79Å; E1044-R1207 PolarHBondContact OE1-NH1 3.39Å; E1044-R1207 IonicContact OE1-NH2 3.84Å; E1044-R1207 PolarHBondContact OE1-NH2 3.46Å; E1044-R1207 IonicContact OE2-CZ 2.7Å; E1044-R1207 IonicContact OE2-NH1 2.96Å; E1044-R1207 PolarHBondContact OE2-NH1 3.47Å; E1044-R1207 IonicContact OE2-NH2 3.29Å; L1168-R1207 HydrophobicContact CD2-CB 3.86Å; L1168-R1207 HydrophobicContact CD2-CG 4.14Å; L1168-R1207 PolarHBondContact O-NE 3.15Å; D1203-R1207 WeakPolarHBondContact O-CB 3.47Å; D1203-R1207 PolarHBondContact O-N 3.16Å; L1204-R1207 PolarHBondContact O-N 2.96Å; C1205-R1207 VanDerWaalsContact C-N 3.3Å |
| 1208 | F | 93 | Very high | 92.6 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | trans | -129 | 65 | -175 | -52.2 | -62.4 | 0 | 0 | 0 | 110.7 | M1167 L1168 A1171 C1174 L1204 N1210 L1211 I1212 | M1167-F1208 VanDerWaalsContact O-CE2 3.3Å; M1167-F1208 WeakPolarHBondContact O-CE2 3.3Å; L1168-F1208 WeakPolarHBondContact O-CZ 3.49Å; A1171-F1208 HydrophobicContact CB-CD1 3.97Å; A1171-F1208 HydrophobicContact CB-CE1 3.88Å; A1171-F1208 HydrophobicContact CB-CZ 4.45Å; A1171-F1208 VanDerWaalsContact N-CZ 3.35Å; C1174-F1208 HydrophobicContact CB-CD2 4.22Å; C1174-F1208 HydrophobicContact CB-CE2 4.19Å; L1204-F1208 HydrophobicContact CD2-CD2 4.25Å; L1204-F1208 HydrophobicContact CD2-CE2 4.36Å; L1204-F1208 PolarHBondContact O-N 2.66Å; F1208-N1210 PolarHBondContact O-N 2.87Å; F1208-L1211 HydrophobicContact CB-CB 4.03Å; F1208-L1211 HydrophobicContact CB-CD1 3.99Å; F1208-L1211 HydrophobicContact CB-CG 4.13Å; F1208-L1211 HydrophobicContact CG-CD1 4.25Å; F1208-L1211 PolarHBondContact O-N 3.44Å; F1208-I1212 PolarHBondContact O-N 2.92Å; F1208-I1212 VanDerWaalsContact O-N 3.17Å | ||
| 1209 | P | 90.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.2 | -39.2 | -174.4 | 21.3 | -33 | 0 | 0 | 0 | 112.4 | C1205 L1211 I1212 E1213 | C1205-P1209 WeakPolarHBondContact O-CA 3.42Å; P1209-L1211 VanDerWaalsContact C-N 3.33Å; P1209-L1211 PolarHBondContact O-N 2.95Å; P1209-I1212 PolarHBondContact O-N 3.33Å; P1209-E1213 WeakPolarHBondContact O-CB 3.44Å; P1209-E1213 PolarHBondContact O-N 3.34Å |
| 1210 | N | 90.5 | Very high | 92.2 | Very high | 136 Ų | 136 | 41.8 Ų | 41.8 | 73% | 0.727 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.1 | -32.9 | 179.6 | -62.5 | -22.6 | 0 | 0 | 0 | 113.2 | F1208 | F1208-N1210 PolarHBondContact O-N 2.87Å |
| 1211 | L | 93.7 | Very high | 92 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.6 | -32 | 177.6 | -66.9 | -174.5 | 0 | 0 | 0 | 112 | A1171 C1174 E1175 L1178 F1208 P1209 | A1171-L1211 HydrophobicContact CB-CD1 3.83Å; C1174-L1211 HydrophobicContact CB-CD1 4.34Å; E1175-L1211 HydrophobicContact CB-CD1 4.32Å; E1175-L1211 HydrophobicContact CB-CD2 4.49Å; L1178-L1211 HydrophobicContact CD1-CB 4.14Å; F1208-L1211 HydrophobicContact CB-CB 4.03Å; F1208-L1211 HydrophobicContact CB-CD1 3.99Å; F1208-L1211 HydrophobicContact CB-CG 4.13Å; F1208-L1211 HydrophobicContact CG-CD1 4.25Å; F1208-L1211 PolarHBondContact O-N 3.44Å; P1209-L1211 VanDerWaalsContact C-N 3.33Å; P1209-L1211 PolarHBondContact O-N 2.95Å |
| 1212 | I | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -90.6 | -22.4 | -176.3 | -57.5 | -60.4 | 0 | 0 | 0 | 112.6 | L1178 F1182 L1204 C1205 F1208 P1209 P1214 W1215 T1216 | L1178-I1212 HydrophobicContact CD1-CD1 4.25Å; L1178-I1212 HydrophobicContact CD2-CD1 3.38Å; L1178-I1212 HydrophobicContact CG-CD1 4.48Å; F1182-I1212 HydrophobicContact CE2-CD1 4.49Å; L1204-I1212 HydrophobicContact CB-CD1 4.2Å; L1204-I1212 HydrophobicContact CB-CG1 4.33Å; C1205-I1212 HydrophobicContact CB-CB 4.38Å; C1205-I1212 HydrophobicContact CB-CG2 3.94Å; F1208-I1212 PolarHBondContact O-N 2.92Å; F1208-I1212 VanDerWaalsContact O-N 3.17Å; P1209-I1212 PolarHBondContact O-N 3.33Å; I1212-P1214 VanDerWaalsContact C-CD 3.49Å; I1212-W1215 CarbonylContact O-C 3.52Å; I1212-W1215 WeakPolarHBondContact O-CA 3.48Å; I1212-W1215 PolarHBondContact O-N 3.2Å; I1212-T1216 PolarHBondContact O-N 3.45Å; I1212-T1216 PolarHBondContact O-OG1 2.85Å |
| 1213 | E | 88.6 | Confident | 91.8 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -50.5 | -46.3 | 180 | -179.2 | 176.4 | -166.9 | 0 | 0 | 113.2 | P1209 W1215 T1216 K1250 | P1209-E1213 WeakPolarHBondContact O-CB 3.44Å; P1209-E1213 PolarHBondContact O-N 3.34Å; E1213-W1215 PolarHBondContact O-N 3Å; E1213-T1216 WeakPolarHBondContact CA-OG1 3.41Å; E1213-T1216 VanDerWaalsContact O-CB 3.32Å; E1213-T1216 WeakPolarHBondContact O-CB 3.47Å; E1213-T1216 PolarHBondContact O-N 3.44Å; E1213-T1216 PolarHBondContact O-OG1 3.45Å; E1213-K1250 IonicContact OE1-NZ 3.91Å; E1213-K1250 PolarHBondContact OE1-NZ 3.19Å |
| 1214 | P | 90.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 49.7 Ų | 49.7 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -63 | -25.5 | 177.3 | -22.1 | 34.7 | 0 | 0 | 0 | 114 | I1212 P1217 | I1212-P1214 VanDerWaalsContact C-CD 3.49Å; P1214-P1217 WeakPolarHBondContact O-CD 3.31Å |
| 1215 | W | 91.4 | Very high | 91.5 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -96 | -5.1 | -178.4 | -55.2 | 88.1 | 0 | 0 | 0 | 113.6 | L1178 Q1179 F1182 I1212 E1213 P1217 N1218 L1219 | L1178-W1215 HydrophobicContact CB-CZ2 4.35Å; Q1179-W1215 HydrophobicContact CB-CH2 4.04Å; F1182-W1215 HydrophobicContact CB-CE3 4.26Å; F1182-W1215 HydrophobicContact CB-CZ3 4.41Å; F1182-W1215 HydrophobicContact CD2-CB 4.07Å; F1182-W1215 AromaticContact CD2-CD2 3.82Å; F1182-W1215 HydrophobicContact CD2-CD2 3.82Å; F1182-W1215 AromaticContact CD2-CE3 3.64Å; F1182-W1215 HydrophobicContact CD2-CE3 3.64Å; F1182-W1215 HydrophobicContact CD2-CG 4.03Å; F1182-W1215 HydrophobicContact CD2-CZ3 4.37Å; F1182-W1215 HydrophobicContact CE1-CB 4.07Å; F1182-W1215 HydrophobicContact CE2-CB 3.35Å; F1182-W1215 AromaticContact CE2-CD2 3.92Å; F1182-W1215 HydrophobicContact CE2-CD2 3.92Å; F1182-W1215 HydrophobicContact CE2-CE3 4.14Å; F1182-W1215 AromaticContact CE2-CG 3.6Å; F1182-W1215 HydrophobicContact CE2-CG 3.6Å; F1182-W1215 AromaticContact CG-CE3 3.93Å; F1182-W1215 HydrophobicContact CG-CE3 3.93Å; F1182-W1215 HydrophobicContact CZ-CB 3.35Å; F1182-W1215 HydrophobicContact CZ-CG 4.13Å; I1212-W1215 CarbonylContact O-C 3.52Å; I1212-W1215 WeakPolarHBondContact O-CA 3.48Å; I1212-W1215 PolarHBondContact O-N 3.2Å; E1213-W1215 PolarHBondContact O-N 3Å; W1215-P1217 VanDerWaalsContact C-N 3.31Å; W1215-N1218 WeakPolarHBondContact O-CA 3.5Å; W1215-N1218 VanDerWaalsContact O-CB 3.29Å; W1215-N1218 WeakPolarHBondContact O-CB 3.21Å; W1215-N1218 PolarHBondContact O-N 2.65Å; W1215-L1219 PolarHBondContact O-N 2.96Å |
| 1216 | T | 89.8 | Confident | 91.5 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.08 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.3 | -39.9 | 178.2 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | I1212 E1213 N1218 L1219 Y1220 V1247 | I1212-T1216 PolarHBondContact O-N 3.45Å; I1212-T1216 PolarHBondContact O-OG1 2.85Å; E1213-T1216 WeakPolarHBondContact CA-OG1 3.41Å; E1213-T1216 VanDerWaalsContact O-CB 3.32Å; E1213-T1216 WeakPolarHBondContact O-CB 3.47Å; E1213-T1216 PolarHBondContact O-N 3.44Å; E1213-T1216 PolarHBondContact O-OG1 3.45Å; T1216-N1218 PolarHBondContact O-N 3.18Å; T1216-L1219 WeakPolarHBondContact O-CB 3.46Å; T1216-L1219 PolarHBondContact O-N 3.03Å; T1216-Y1220 HydrophobicContact CG2-CD2 3.81Å; T1216-Y1220 HydrophobicContact CG2-CE2 3.53Å; T1216-Y1220 WeakPolarHBondContact O-CD2 2.88Å; T1216-Y1220 PolarHBondContact O-N 2.89Å; T1216-Y1220 VanDerWaalsContact O-N 3.15Å; T1216-V1247 HydrophobicContact CG2-CG1 3.95Å |
| 1217 | P | 89.6 | Confident | 91.7 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.5 | -37.8 | 172.9 | -17.2 | 23.3 | 0 | 0 | 0 | 113.8 | P1214 W1215 L1219 Y1220 A1221 Q1252 | P1214-P1217 WeakPolarHBondContact O-CD 3.31Å; W1215-P1217 VanDerWaalsContact C-N 3.31Å; P1217-L1219 VanDerWaalsContact C-N 3.3Å; P1217-L1219 PolarHBondContact O-N 3.32Å; P1217-Y1220 PolarHBondContact O-N 3.1Å; P1217-A1221 PolarHBondContact O-N 3.41Å; P1217-Q1252 VanDerWaalsContact CB-NE2 3.34Å; P1217-Q1252 VanDerWaalsContact CG-NE2 3.26Å |
| 1218 | N | 91.4 | Very high | 91.8 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 178.8 | -62 | 59.7 | 0 | 0 | 0 | 111.5 | F1182 W1215 T1216 A1221 R1222 | F1182-N1218 HydrophobicContact CD1-CB 3.73Å; F1182-N1218 HydrophobicContact CE1-CB 3.82Å; W1215-N1218 WeakPolarHBondContact O-CA 3.5Å; W1215-N1218 VanDerWaalsContact O-CB 3.29Å; W1215-N1218 WeakPolarHBondContact O-CB 3.21Å; W1215-N1218 PolarHBondContact O-N 2.65Å; T1216-N1218 PolarHBondContact O-N 3.18Å; N1218-A1221 PolarHBondContact O-N 3.25Å; N1218-R1222 WeakPolarHBondContact O-CG 3.39Å |
| 1219 | L | 91.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 174.4 | -168.8 | 64.2 | 0 | 0 | 0 | 111 | I1198 L1201 W1215 T1216 P1217 A1221 R1222 L1238 L1241 | I1198-L1219 HydrophobicContact CG2-CD1 4.15Å; L1201-L1219 HydrophobicContact CB-CD1 4.17Å; L1201-L1219 HydrophobicContact CD1-CD1 4.41Å; W1215-L1219 PolarHBondContact O-N 2.96Å; T1216-L1219 WeakPolarHBondContact O-CB 3.46Å; T1216-L1219 PolarHBondContact O-N 3.03Å; P1217-L1219 VanDerWaalsContact C-N 3.3Å; P1217-L1219 PolarHBondContact O-N 3.32Å; L1219-A1221 VanDerWaalsContact C-N 3.3Å; L1219-A1221 PolarHBondContact O-N 3.3Å; L1219-R1222 WeakPolarHBondContact O-CB 3.46Å; L1219-R1222 PolarHBondContact O-N 3.04Å; L1219-R1222 VanDerWaalsContact O-N 3.15Å; L1219-L1238 HydrophobicContact CD2-CD2 3.65Å; L1219-L1238 HydrophobicContact CD2-CG 4.34Å; L1219-L1238 HydrophobicContact CG-CD2 3.93Å; L1219-L1238 HydrophobicContact CG-CG 4.31Å; L1219-L1241 HydrophobicContact CD2-CD1 3.99Å |
| 1220 | Y | 91.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 173.4 | -78.4 | -82.9 | 0 | 0 | 0 | 112.6 | T1216 P1217 R1222 L1223 L1238 I1242 V1247 Q1252 E1255 M1256 | T1216-Y1220 HydrophobicContact CG2-CD2 3.81Å; T1216-Y1220 HydrophobicContact CG2-CE2 3.53Å; T1216-Y1220 WeakPolarHBondContact O-CD2 2.88Å; T1216-Y1220 PolarHBondContact O-N 2.89Å; T1216-Y1220 VanDerWaalsContact O-N 3.15Å; P1217-Y1220 PolarHBondContact O-N 3.1Å; Y1220-R1222 PolarHBondContact O-N 3.08Å; Y1220-L1223 HydrophobicContact CD1-CD1 4.04Å; Y1220-L1223 VanDerWaalsContact O-CB 3.28Å; Y1220-L1223 WeakPolarHBondContact O-CB 3.35Å; Y1220-L1223 WeakPolarHBondContact O-CG 3.45Å; Y1220-L1223 PolarHBondContact O-N 3.24Å; Y1220-L1238 HydrophobicContact CD1-CD1 3.78Å; Y1220-L1238 HydrophobicContact CD1-CD2 4.4Å; Y1220-L1238 HydrophobicContact CD2-CD2 4.35Å; Y1220-L1238 HydrophobicContact CE1-CD1 4.06Å; Y1220-L1238 HydrophobicContact CE1-CD2 4.15Å; Y1220-L1238 HydrophobicContact CE2-CD2 4.1Å; Y1220-L1238 HydrophobicContact CG-CD1 4.2Å; Y1220-L1238 HydrophobicContact CG-CD2 4.5Å; Y1220-I1242 WeakPolarHBondContact OH-CD1 3.47Å; Y1220-V1247 HydrophobicContact CE2-CG1 4.44Å; Y1220-Q1252 HydrophobicContact CD1-CB 3.9Å; Y1220-Q1252 HydrophobicContact CD2-CB 3.56Å; Y1220-Q1252 HydrophobicContact CD2-CG 4.15Å; Y1220-Q1252 HydrophobicContact CE1-CB 4.02Å; Y1220-Q1252 HydrophobicContact CE2-CB 3.7Å; Y1220-Q1252 HydrophobicContact CG-CB 3.67Å; Y1220-Q1252 HydrophobicContact CG-CG 4.44Å; Y1220-E1255 HydrophobicContact CD1-CB 4.38Å; Y1220-M1256 HydrophobicContact CD1-CG 4.46Å; Y1220-M1256 HydrophobicContact CE1-CG 4.17Å; Y1220-M1256 HydrophobicContact CE1-SD 4.05Å |
| 1221 | A | 91.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -60.1 | -20.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1217 N1218 L1219 L1223 R1224 | P1217-A1221 PolarHBondContact O-N 3.41Å; N1218-A1221 PolarHBondContact O-N 3.25Å; L1219-A1221 VanDerWaalsContact C-N 3.3Å; L1219-A1221 PolarHBondContact O-N 3.3Å; A1221-L1223 VanDerWaalsContact C-N 3.25Å; A1221-L1223 PolarHBondContact O-N 3.12Å; A1221-R1224 PolarHBondContact O-N 3.2Å |
| 1222 | R | 94 | Very high | 92.4 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -74.7 | -12.4 | 175.9 | -60 | -67.3 | 95.2 | -171 | 9.9 | 113.5 | A1185 I1198 N1218 L1219 Y1220 R1224 D1225 A1234 | A1185-R1222 PolarHBondContact O-NH1 2.98Å; I1198-R1222 HydrophobicContact CD1-CB 3.95Å; I1198-R1222 HydrophobicContact CD1-CG 3.52Å; I1198-R1222 HydrophobicContact CG1-CB 4.41Å; I1198-R1222 HydrophobicContact CG1-CG 4.46Å; N1218-R1222 WeakPolarHBondContact O-CG 3.39Å; L1219-R1222 WeakPolarHBondContact O-CB 3.46Å; L1219-R1222 PolarHBondContact O-N 3.04Å; L1219-R1222 VanDerWaalsContact O-N 3.15Å; Y1220-R1222 PolarHBondContact O-N 3.08Å; R1222-R1224 PolarHBondContact O-N 3.43Å; R1222-D1225 IonicContact CZ-OD2 4Å; R1222-D1225 IonicContact NH1-OD2 3.98Å; R1222-D1225 PolarHBondContact NH1-OD2 3.46Å; R1222-D1225 WeakPolarHBondContact O-CB 3.34Å; R1222-D1225 PolarHBondContact O-N 2.97Å; R1222-D1225 VanDerWaalsContact O-N 3.17Å; R1222-A1234 HydrophobicContact CB-CB 4.06Å |
| 1223 | L | 93.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -66.8 | -13.7 | 167.2 | -64.4 | 168.7 | 0 | 0 | 0 | 112.5 | Y1220 A1221 R1231 A1234 L1235 L1238 E1255 M1256 | Y1220-L1223 HydrophobicContact CD1-CD1 4.04Å; Y1220-L1223 VanDerWaalsContact O-CB 3.28Å; Y1220-L1223 WeakPolarHBondContact O-CB 3.35Å; Y1220-L1223 WeakPolarHBondContact O-CG 3.45Å; Y1220-L1223 PolarHBondContact O-N 3.24Å; A1221-L1223 VanDerWaalsContact C-N 3.25Å; A1221-L1223 PolarHBondContact O-N 3.12Å; L1223-R1231 WeakPolarHBondContact O-CD 3.43Å; L1223-A1234 HydrophobicContact CD2-CB 3.96Å; L1223-A1234 HydrophobicContact CG-CB 4.43Å; L1223-L1235 HydrophobicContact CD2-CB 3.91Å; L1223-L1235 HydrophobicContact CD2-CD1 4.34Å; L1223-L1238 HydrophobicContact CD1-CD1 3.77Å; L1223-L1238 HydrophobicContact CD2-CD1 4.23Å; L1223-L1238 HydrophobicContact CG-CD1 3.96Å; L1223-E1255 HydrophobicContact CD1-CB 3.89Å; L1223-M1256 HydrophobicContact CD1-CB 4.39Å; L1223-M1256 HydrophobicContact CD1-CG 3.57Å |
| 1224 | R | 89.7 | Confident | 92.9 | Very high | 146 Ų | 146 | 44 Ų | 44 | 55% | 0.551 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -106.8 | 17.7 | 173.4 | -58 | -172.5 | -173.9 | -162.1 | 2 | 112.9 | A1221 R1222 E1255 | A1221-R1224 PolarHBondContact O-N 3.2Å; R1222-R1224 PolarHBondContact O-N 3.43Å; R1224-E1255 IonicContact CZ-OE1 2.96Å; R1224-E1255 IonicContact CZ-OE2 3.21Å; R1224-E1255 IonicContact NE-OE2 3.64Å; R1224-E1255 PolarHBondContact NE-OE2 3.26Å; R1224-E1255 VanDerWaalsContact NH2-CD 3.25Å; R1224-E1255 IonicContact NH2-OE1 3.32Å; R1224-E1255 PolarHBondContact NH2-OE1 3.23Å; R1224-E1255 IonicContact NH2-OE2 3.5Å; R1224-E1255 PolarHBondContact NH2-OE2 2.79Å |
| 1225 | D | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | trans | -63.9 | 149.2 | 177 | -161 | -82.2 | 0 | 0 | 0 | 111.1 | R1194 R1222 S1227 V1230 R1231 | R1194-D1225 IonicContact CZ-OD1 2.89Å; R1194-D1225 IonicContact CZ-OD2 3.6Å; R1194-D1225 IonicContact NE-OD1 3.15Å; R1194-D1225 PolarHBondContact NE-OD1 2.78Å; R1194-D1225 IonicContact NE-OD2 3.26Å; R1194-D1225 PolarHBondContact NE-OD2 3.09Å; R1194-D1225 IonicContact NH2-OD1 2.62Å; R1194-D1225 PolarHBondContact NH2-OD1 3.3Å; R1222-D1225 IonicContact CZ-OD2 4Å; R1222-D1225 IonicContact NH1-OD2 3.98Å; R1222-D1225 PolarHBondContact NH1-OD2 3.46Å; R1222-D1225 WeakPolarHBondContact O-CB 3.34Å; R1222-D1225 PolarHBondContact O-N 2.97Å; R1222-D1225 VanDerWaalsContact O-N 3.17Å; D1225-S1227 VanDerWaalsContact C-N 3.27Å; D1225-S1227 PolarHBondContact O-N 3.07Å; D1225-S1227 PolarHBondContact OD1-N 2.73Å; D1225-V1230 HydrophobicContact CB-CB 3.92Å; D1225-V1230 HydrophobicContact CB-CG1 3.68Å; D1225-R1231 HydrophobicContact CB-CG 4.29Å; D1225-R1231 WeakPolarHBondContact O-CD 3.27Å; D1225-R1231 WeakPolarHBondContact O-CG 3.46Å; D1225-R1231 PolarHBondContact O-NH1 3.11Å | ||
| 1226 | T | 92.9 | Very high | 93.3 | Very high | 129 Ų | 129 | 39.2 Ų | 39.2 | 79% | 0.791 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -65.4 | -32.6 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 112 | R1231 | T1226-R1231 PolarHBondContact O-NH1 2.97Š|
| 1227 | S | 94.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -83.7 | 129.6 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | E1191 D1225 K1229 V1230 R1231 | E1191-S1227 PolarHBondContact OE2-OG 3.21Å; D1225-S1227 VanDerWaalsContact C-N 3.27Å; D1225-S1227 PolarHBondContact O-N 3.07Å; D1225-S1227 PolarHBondContact OD1-N 2.73Å; S1227-K1229 VanDerWaalsContact C-N 3.33Å; S1227-K1229 PolarHBondContact O-N 3.11Å; S1227-K1229 PolarHBondContact OG-N 3.18Å; S1227-V1230 PolarHBondContact O-N 3.45Å; S1227-R1231 PolarHBondContact O-N 3.42Å |
| 1228 | A | 92.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 28% | 0.281 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -51.9 | -48.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1230 R1231 T1232 I1264 | A1228-V1230 VanDerWaalsContact C-N 3.27Å; A1228-V1230 PolarHBondContact O-N 3.42Å; A1228-R1231 PolarHBondContact O-N 2.8Å; A1228-R1231 VanDerWaalsContact O-N 3.14Å; A1228-T1232 PolarHBondContact O-N 3.26Å; A1228-T1232 PolarHBondContact O-OG1 3.06Å; A1228-T1232 VanDerWaalsContact O-OG1 3.08Å; A1228-I1264 HydrophobicContact CB-CD1 3.1Å |
| 1229 | K | 93.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 34.2 Ų | 34.2 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.2 | -39.4 | -176.8 | -64.7 | 177.7 | -173.2 | 161 | 0 | 111.5 | E1191 S1227 T1232 N1233 | E1191-K1229 WeakPolarHBondContact OE1-CD 3.3Å; E1191-K1229 WeakPolarHBondContact OE1-CE 3.38Å; E1191-K1229 IonicContact OE1-NZ 2.82Å; E1191-K1229 PolarHBondContact OE1-NZ 3.35Å; S1227-K1229 VanDerWaalsContact C-N 3.33Å; S1227-K1229 PolarHBondContact O-N 3.11Å; S1227-K1229 PolarHBondContact OG-N 3.18Å; K1229-T1232 PolarHBondContact O-N 3.14Å; K1229-N1233 PolarHBondContact O-N 3.47Å |
| 1230 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | R1194 A1195 I1198 D1225 S1227 A1228 T1232 N1233 A1234 | R1194-V1230 HydrophobicContact CB-CG1 4.27Å; R1194-V1230 HydrophobicContact CB-CG2 3.66Å; A1195-V1230 HydrophobicContact CB-CG2 4.05Å; I1198-V1230 HydrophobicContact CG1-CG1 3.97Å; D1225-V1230 HydrophobicContact CB-CB 3.92Å; D1225-V1230 HydrophobicContact CB-CG1 3.68Å; S1227-V1230 PolarHBondContact O-N 3.45Å; A1228-V1230 VanDerWaalsContact C-N 3.27Å; A1228-V1230 PolarHBondContact O-N 3.42Å; V1230-T1232 VanDerWaalsContact C-N 3.34Å; V1230-T1232 PolarHBondContact O-N 3.37Å; V1230-N1233 PolarHBondContact O-N 3.07Å; V1230-A1234 WeakPolarHBondContact O-CB 3.42Å; V1230-A1234 PolarHBondContact O-N 3.38Å |
| 1231 | R | 95.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.4 | -65.1 | -159.2 | -59.6 | -75.8 | 3.6 | 111.6 | L1223 D1225 T1226 S1227 A1228 A1234 L1235 D1262 I1264 L1267 | L1223-R1231 WeakPolarHBondContact O-CD 3.43Å; D1225-R1231 HydrophobicContact CB-CG 4.29Å; D1225-R1231 WeakPolarHBondContact O-CD 3.27Å; D1225-R1231 WeakPolarHBondContact O-CG 3.46Å; D1225-R1231 PolarHBondContact O-NH1 3.11Å; T1226-R1231 PolarHBondContact O-NH1 2.97Å; S1227-R1231 PolarHBondContact O-N 3.42Å; A1228-R1231 PolarHBondContact O-N 2.8Å; A1228-R1231 VanDerWaalsContact O-N 3.14Å; R1231-A1234 PolarHBondContact O-N 3.11Å; R1231-L1235 WeakPolarHBondContact O-CB 3.42Å; R1231-L1235 PolarHBondContact O-N 3.04Å; R1231-D1262 IonicContact CZ-OD1 3.93Å; R1231-D1262 IonicContact CZ-OD2 3.26Å; R1231-D1262 IonicContact NE-OD1 3.07Å; R1231-D1262 IonicContact NE-OD2 3.75Å; R1231-D1262 PolarHBondContact NE-OD2 2.91Å; R1231-D1262 IonicContact NH2-OD1 2.97Å; R1231-D1262 PolarHBondContact NH2-OD1 2.86Å; R1231-D1262 IonicContact NH2-OD2 3.8Å; R1231-D1262 PolarHBondContact NH2-OD2 2.95Å; R1231-I1264 VanDerWaalsContact NH2-CD1 3.34Å; R1231-L1267 HydrophobicContact CB-CD1 3.75Å; R1231-L1267 HydrophobicContact CB-CD2 4.16Å |
| 1232 | T | 95.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 37 Ų | 37 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | A1228 K1229 V1230 A1234 L1235 N1236 L1267 L1270 | A1228-T1232 PolarHBondContact O-N 3.26Å; A1228-T1232 PolarHBondContact O-OG1 3.06Å; A1228-T1232 VanDerWaalsContact O-OG1 3.08Å; K1229-T1232 PolarHBondContact O-N 3.14Å; V1230-T1232 VanDerWaalsContact C-N 3.34Å; V1230-T1232 PolarHBondContact O-N 3.37Å; T1232-A1234 VanDerWaalsContact C-N 3.33Å; T1232-A1234 PolarHBondContact O-N 3.25Å; T1232-L1235 PolarHBondContact O-N 3.01Å; T1232-N1236 WeakPolarHBondContact O-CB 3.45Å; T1232-N1236 PolarHBondContact O-N 3.47Å; T1232-L1267 WeakPolarHBondContact OG1-CD2 3.33Å; T1232-L1270 HydrophobicContact CG2-CD1 3.8Å |
| 1233 | N | 94.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 176.7 | -76.7 | 9.7 | 0 | 0 | 0 | 112.3 | A1195 V1199 K1229 V1230 T1237 | A1195-N1233 PolarHBondContact O-ND2 3.2Å; V1199-N1233 HydrophobicContact CG2-CB 4.13Å; K1229-N1233 PolarHBondContact O-N 3.47Å; V1230-N1233 PolarHBondContact O-N 3.07Å; N1233-T1237 WeakPolarHBondContact O-CB 3.4Å; N1233-T1237 PolarHBondContact O-N 2.91Å; N1233-T1237 PolarHBondContact O-OG1 2.89Å |
| 1234 | A | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1198 R1222 L1223 V1230 R1231 T1232 T1237 L1238 | I1198-A1234 VanDerWaalsContact CG2-CA 3.43Å; I1198-A1234 HydrophobicContact CG2-CB 3.87Å; R1222-A1234 HydrophobicContact CB-CB 4.06Å; L1223-A1234 HydrophobicContact CD2-CB 3.96Å; L1223-A1234 HydrophobicContact CG-CB 4.43Å; V1230-A1234 WeakPolarHBondContact O-CB 3.42Å; V1230-A1234 PolarHBondContact O-N 3.38Å; R1231-A1234 PolarHBondContact O-N 3.11Å; T1232-A1234 VanDerWaalsContact C-N 3.33Å; T1232-A1234 PolarHBondContact O-N 3.25Å; A1234-T1237 PolarHBondContact O-N 3.3Å; A1234-L1238 VanDerWaalsContact O-CB 3.3Å; A1234-L1238 WeakPolarHBondContact O-CB 3.49Å; A1234-L1238 WeakPolarHBondContact O-CG 3.39Å; A1234-L1238 PolarHBondContact O-N 3.41Å |
| 1235 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 176.6 | -177 | 60.1 | 0 | 0 | 0 | 110.6 | L1223 R1231 T1232 T1237 L1238 S1239 M1256 C1259 L1267 L1270 A1271 | L1223-L1235 HydrophobicContact CD2-CB 3.91Å; L1223-L1235 HydrophobicContact CD2-CD1 4.34Å; R1231-L1235 WeakPolarHBondContact O-CB 3.42Å; R1231-L1235 PolarHBondContact O-N 3.04Å; T1232-L1235 PolarHBondContact O-N 3.01Å; L1235-T1237 PolarHBondContact O-N 2.8Å; L1235-L1238 PolarHBondContact O-N 3.33Å; L1235-S1239 VanDerWaalsContact O-CB 3.28Å; L1235-S1239 WeakPolarHBondContact O-CB 3.5Å; L1235-S1239 PolarHBondContact O-N 3.44Å; L1235-S1239 PolarHBondContact O-OG 3.45Å; L1235-M1256 HydrophobicContact CD1-CB 4.44Å; L1235-M1256 HydrophobicContact CD1-CE 3.66Å; L1235-M1256 HydrophobicContact CD1-CG 4.45Å; L1235-C1259 HydrophobicContact CD2-CB 4.18Å; L1235-L1267 HydrophobicContact CB-CD2 4.36Å; L1235-L1267 HydrophobicContact CD2-CD2 3.88Å; L1235-L1270 HydrophobicContact CD2-CB 3.74Å; L1235-A1271 HydrophobicContact CD2-CB 4.03Å |
| 1236 | N | 93.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 177.9 | -78.8 | -21.4 | 0 | 0 | 0 | 112.6 | T1232 S1239 H1240 | T1232-N1236 WeakPolarHBondContact O-CB 3.45Å; T1232-N1236 PolarHBondContact O-N 3.47Å; N1236-S1239 PolarHBondContact O-N 2.9Å; N1236-H1240 PolarHBondContact O-CD2 3.37Å; N1236-H1240 PolarHBondContact O-N 3.44Å |
| 1237 | T | 94.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -48.2 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | G1202 N1233 A1234 L1235 H1240 L1241 | G1202-T1237 VanDerWaalsContact CA-CG2 3.41Å; N1233-T1237 WeakPolarHBondContact O-CB 3.4Å; N1233-T1237 PolarHBondContact O-N 2.91Å; N1233-T1237 PolarHBondContact O-OG1 2.89Å; A1234-T1237 PolarHBondContact O-N 3.3Å; L1235-T1237 PolarHBondContact O-N 2.8Å; T1237-H1240 PolarHBondContact O-N 3.08Å; T1237-L1241 HydrophobicContact CG2-CD1 4.07Å; T1237-L1241 VanDerWaalsContact O-CG 3.27Å; T1237-L1241 WeakPolarHBondContact O-CG 3.4Å; T1237-L1241 PolarHBondContact O-N 3.22Å |
| 1238 | L | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.9 | -74.8 | 167.5 | 0 | 0 | 0 | 111.8 | L1219 Y1220 L1223 A1234 L1235 H1240 L1241 I1242 M1256 | L1219-L1238 HydrophobicContact CD2-CD2 3.65Å; L1219-L1238 HydrophobicContact CD2-CG 4.34Å; L1219-L1238 HydrophobicContact CG-CD2 3.93Å; L1219-L1238 HydrophobicContact CG-CG 4.31Å; Y1220-L1238 HydrophobicContact CD1-CD1 3.78Å; Y1220-L1238 HydrophobicContact CD1-CD2 4.4Å; Y1220-L1238 HydrophobicContact CD2-CD2 4.35Å; Y1220-L1238 HydrophobicContact CE1-CD1 4.06Å; Y1220-L1238 HydrophobicContact CE1-CD2 4.15Å; Y1220-L1238 HydrophobicContact CE2-CD2 4.1Å; Y1220-L1238 HydrophobicContact CG-CD1 4.2Å; Y1220-L1238 HydrophobicContact CG-CD2 4.5Å; L1223-L1238 HydrophobicContact CD1-CD1 3.77Å; L1223-L1238 HydrophobicContact CD2-CD1 4.23Å; L1223-L1238 HydrophobicContact CG-CD1 3.96Å; A1234-L1238 VanDerWaalsContact O-CB 3.3Å; A1234-L1238 WeakPolarHBondContact O-CB 3.49Å; A1234-L1238 WeakPolarHBondContact O-CG 3.39Å; A1234-L1238 PolarHBondContact O-N 3.41Å; L1235-L1238 PolarHBondContact O-N 3.33Å; L1238-H1240 PolarHBondContact O-N 2.66Å; L1238-L1241 PolarHBondContact O-N 2.75Å; L1238-I1242 HydrophobicContact CB-CD1 4.5Å; L1238-I1242 WeakPolarHBondContact O-CB 3.38Å; L1238-I1242 VanDerWaalsContact O-CG1 3.27Å; L1238-I1242 WeakPolarHBondContact O-CG1 3.28Å; L1238-I1242 PolarHBondContact O-N 3.18Å; L1238-M1256 HydrophobicContact CB-CE 4.05Å; L1238-M1256 HydrophobicContact CB-SD 4.23Å |
| 1239 | S | 92.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.3 | -50.4 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 111.1 | L1235 N1236 L1241 I1242 L1243 F1274 | L1235-S1239 VanDerWaalsContact O-CB 3.28Å; L1235-S1239 WeakPolarHBondContact O-CB 3.5Å; L1235-S1239 PolarHBondContact O-N 3.44Å; L1235-S1239 PolarHBondContact O-OG 3.45Å; N1236-S1239 PolarHBondContact O-N 2.9Å; S1239-L1241 PolarHBondContact O-N 3.01Å; S1239-I1242 PolarHBondContact O-N 3.44Å; S1239-L1243 VanDerWaalsContact O-CB 3.27Å; S1239-L1243 WeakPolarHBondContact O-CB 3.29Å; S1239-L1243 WeakPolarHBondContact O-CG 3.44Å; S1239-L1243 PolarHBondContact O-N 3.49Å; S1239-F1274 VanDerWaalsContact OG-CD2 3.26Å; S1239-F1274 WeakPolarHBondContact OG-CD2 3.47Å; S1239-F1274 WeakPolarHBondContact OG-CG 3.45Å |
| 1240 | H | 89.8 | Confident | 88.7 | Confident | 102 Ų | 102 | 43.9 Ų | 43.9 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -36 | 177.6 | -73 | -59.3 | 0 | 0 | 0 | 113.7 | N1236 T1237 L1238 N1244 | N1236-H1240 PolarHBondContact O-CD2 3.37Å; N1236-H1240 PolarHBondContact O-N 3.44Å; T1237-H1240 PolarHBondContact O-N 3.08Å; L1238-H1240 PolarHBondContact O-N 2.66Å; H1240-N1244 WeakPolarHBondContact O-CB 3.48Å; H1240-N1244 PolarHBondContact O-N 2.84Å; H1240-N1244 PolarHBondContact O-ND2 2.8Å |
| 1241 | L | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.6 | -71.1 | 173.1 | 0 | 0 | 0 | 112.4 | C1205 R1206 L1219 T1237 L1238 S1239 D1245 M1246 V1247 | C1205-L1241 HydrophobicContact CB-CD1 3.98Å; C1205-L1241 HydrophobicContact CB-CD2 4Å; R1206-L1241 HydrophobicContact CG-CD2 3.59Å; L1219-L1241 HydrophobicContact CD2-CD1 3.99Å; T1237-L1241 HydrophobicContact CG2-CD1 4.07Å; T1237-L1241 VanDerWaalsContact O-CG 3.27Å; T1237-L1241 WeakPolarHBondContact O-CG 3.4Å; T1237-L1241 PolarHBondContact O-N 3.22Å; L1238-L1241 PolarHBondContact O-N 2.75Å; S1239-L1241 PolarHBondContact O-N 3.01Å; L1241-D1245 PolarHBondContact O-N 3.41Å; L1241-M1246 HydrophobicContact CD2-CB 4.04Å; L1241-M1246 PolarHBondContact O-N 2.76Å; L1241-V1247 HydrophobicContact CB-CB 4.29Å; L1241-V1247 HydrophobicContact CB-CG2 3.87Å; L1241-V1247 HydrophobicContact CD1-CG2 4.07Å; L1241-V1247 HydrophobicContact CG-CG2 4.46Å; L1241-V1247 PolarHBondContact O-N 3.34Å |
| 1242 | I | 90 | Very high | 86.7 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.2 | -48 | 179.5 | -69.6 | 165.1 | 0 | 0 | 0 | 110.3 | Y1220 L1238 S1239 N1244 D1245 V1249 M1256 F1274 L1278 | Y1220-I1242 WeakPolarHBondContact OH-CD1 3.47Å; L1238-I1242 HydrophobicContact CB-CD1 4.5Å; L1238-I1242 WeakPolarHBondContact O-CB 3.38Å; L1238-I1242 VanDerWaalsContact O-CG1 3.27Å; L1238-I1242 WeakPolarHBondContact O-CG1 3.28Å; L1238-I1242 PolarHBondContact O-N 3.18Å; S1239-I1242 PolarHBondContact O-N 3.44Å; I1242-N1244 PolarHBondContact O-N 2.96Å; I1242-D1245 PolarHBondContact O-N 3.32Å; I1242-V1249 HydrophobicContact CG2-CG2 3.56Å; I1242-M1256 HydrophobicContact CD1-CE 4.13Å; I1242-M1256 HydrophobicContact CD1-SD 3.37Å; I1242-M1256 WeakPolarHBondContact CD1-SD 3.4Å; I1242-F1274 HydrophobicContact CB-CE2 4.14Å; I1242-F1274 HydrophobicContact CB-CZ 4.32Å; I1242-F1274 HydrophobicContact CD1-CE2 4.36Å; I1242-F1274 HydrophobicContact CD1-CZ 3.92Å; I1242-F1274 HydrophobicContact CG2-CE2 3.99Å; I1242-F1274 HydrophobicContact CG2-CZ 3.94Å; I1242-L1278 HydrophobicContact CG2-CD1 4.33Å |
| 1243 | L | 87.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -31.7 | -179.3 | -68.9 | 171.5 | 0 | 0 | 0 | 111 | S1239 D1245 F1274 E1277 L1278 K1281 | S1239-L1243 VanDerWaalsContact O-CB 3.27Å; S1239-L1243 WeakPolarHBondContact O-CB 3.29Å; S1239-L1243 WeakPolarHBondContact O-CG 3.44Å; S1239-L1243 PolarHBondContact O-N 3.49Å; L1243-D1245 VanDerWaalsContact C-N 3.33Å; L1243-F1274 HydrophobicContact CD1-CD2 4.23Å; L1243-F1274 HydrophobicContact CD2-CE2 4.35Å; L1243-F1274 HydrophobicContact CG-CD2 4.2Å; L1243-F1274 HydrophobicContact CG-CE2 4.12Å; L1243-E1277 HydrophobicContact CD1-CB 4.26Å; L1243-E1277 WeakPolarHBondContact CD1-OE2 3.48Å; L1243-E1277 HydrophobicContact CD2-CB 4.25Å; L1243-L1278 HydrophobicContact CD2-CB 4.43Å; L1243-L1278 HydrophobicContact CD2-CD1 4.34Å; L1243-K1281 HydrophobicContact CD2-CD 4.13Å; L1243-K1281 PolarHBondContact O-NZ 3.43Å |
| 1244 | N | 85.5 | Confident | 85.8 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 51% | 0.508 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 20.5 | 176.9 | -62.7 | -53.1 | 0 | 0 | 0 | 113.9 | H1240 I1242 M1246 | H1240-N1244 WeakPolarHBondContact O-CB 3.48Å; H1240-N1244 PolarHBondContact O-N 2.84Å; H1240-N1244 PolarHBondContact O-ND2 2.8Å; I1242-N1244 PolarHBondContact O-N 2.96Å; N1244-M1246 HydrophobicContact CB-CG 4.44Å; N1244-M1246 PolarHBondContact O-N 3.45Å |
| 1245 | D | 84.6 | Confident | 85.4 | Confident | 137 Ų | 137 | 44.1 Ų | 44.1 | 73% | 0.733 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 18.8 | 176.2 | -64.4 | -49.7 | 0 | 0 | 0 | 115.6 | L1241 I1242 L1243 | L1241-D1245 PolarHBondContact O-N 3.41Å; I1242-D1245 PolarHBondContact O-N 3.32Å; L1243-D1245 VanDerWaalsContact C-N 3.33Å |
| 1246 | M | 81.7 | Confident | 85.3 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -79.2 | -27.6 | 178.6 | -62.4 | -54.3 | -66.4 | 0 | 0 | 112.3 | R1206 L1241 N1244 | R1206-M1246 HydrophobicContact CB-CE 4.22Å; R1206-M1246 HydrophobicContact CG-CG 4.26Å; R1206-M1246 VanDerWaalsContact O-CE 3.32Å; R1206-M1246 WeakPolarHBondContact O-CE 3.49Å; L1241-M1246 HydrophobicContact CD2-CB 4.04Å; L1241-M1246 PolarHBondContact O-N 2.76Å; N1244-M1246 HydrophobicContact CB-CG 4.44Å; N1244-M1246 PolarHBondContact O-N 3.45Å |
| 1247 | V | 83.3 | Confident | 85.2 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -122.1 | 115.9 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | C1205 T1216 Y1220 L1241 V1249 | C1205-V1247 WeakPolarHBondContact SG-CG2 3.43Å; T1216-V1247 HydrophobicContact CG2-CG1 3.95Å; Y1220-V1247 HydrophobicContact CE2-CG1 4.44Å; L1241-V1247 HydrophobicContact CB-CB 4.29Å; L1241-V1247 HydrophobicContact CB-CG2 3.87Å; L1241-V1247 HydrophobicContact CD1-CG2 4.07Å; L1241-V1247 HydrophobicContact CG-CG2 4.46Å; L1241-V1247 PolarHBondContact O-N 3.34Å; V1247-V1249 PolarHBondContact O-N 3.11Å |
| 1248 | K | 78.8 | Confident | 85 | Confident | 168 Ų | 168 | 43.2 Ų | 43.2 | 73% | 0.73 | 22% | 0.22 | S | C | * | . | trans | -61.8 | 131.5 | 175.4 | -74.7 | -174.7 | 179.2 | 177 | 0 | 110 | K1250 | K1248-K1250 PolarHBondContact O-N 3.04Š| ||
| 1249 | V | 68.2 | Low | 84.9 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | trans | -67.5 | 102.4 | 176.1 | -163.3 | 0 | 0 | 0 | 0 | 109.1 | I1242 V1247 I1253 V1288 | I1242-V1249 HydrophobicContact CG2-CG2 3.56Å; V1247-V1249 PolarHBondContact O-N 3.11Å; V1249-I1253 HydrophobicContact CG1-CB 3.72Å; V1249-I1253 HydrophobicContact CG1-CD1 3.37Å; V1249-I1253 HydrophobicContact CG1-CG1 4.1Å; V1249-I1253 HydrophobicContact CG1-CG2 3.81Å; V1249-V1288 HydrophobicContact CB-CG1 4.16Å; V1249-V1288 HydrophobicContact CG1-CB 4.5Å; V1249-V1288 HydrophobicContact CG1-CG1 3.43Å; V1249-V1288 VanDerWaalsContact CG1-CG1 3.43Å | ||
| 1250 | K | 70.4 | Confident | 84.9 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | trans | -102.2 | -174.6 | 173.9 | -68.2 | 178.4 | -174.9 | 171.5 | 0 | 108.5 | E1213 K1248 Q1252 I1253 | E1213-K1250 IonicContact OE1-NZ 3.91Å; E1213-K1250 PolarHBondContact OE1-NZ 3.19Å; K1248-K1250 PolarHBondContact O-N 3.04Å; K1250-Q1252 PolarHBondContact O-N 3.33Å; K1250-I1253 PolarHBondContact O-N 3.21Å | ||
| 1251 | G | 70.4 | Confident | 84.9 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -23.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1253 S1254 R1295 | G1251-I1253 PolarHBondContact O-N 3.25Å; G1251-S1254 PolarHBondContact O-N 2.84Å; G1251-S1254 PolarHBondContact O-OG 3.43Å; G1251-R1295 VanDerWaalsContact C-NH2 3.34Å; G1251-R1295 PolarHBondContact O-NE 2.78Å; G1251-R1295 PolarHBondContact O-NH1 3.18Å; G1251-R1295 PolarHBondContact O-NH2 3.45Å |
| 1252 | Q | 81.3 | Confident | 84.8 | Confident | 50 Ų | 50 | 41 Ų | 41 | 23% | 0.234 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.6 | -177.9 | -67.4 | 155.6 | -17 | 0 | 0 | 114.8 | P1217 Y1220 K1250 S1254 E1255 | P1217-Q1252 VanDerWaalsContact CB-NE2 3.34Å; P1217-Q1252 VanDerWaalsContact CG-NE2 3.26Å; Y1220-Q1252 HydrophobicContact CD1-CB 3.9Å; Y1220-Q1252 HydrophobicContact CD2-CB 3.56Å; Y1220-Q1252 HydrophobicContact CD2-CG 4.15Å; Y1220-Q1252 HydrophobicContact CE1-CB 4.02Å; Y1220-Q1252 HydrophobicContact CE2-CB 3.7Å; Y1220-Q1252 HydrophobicContact CG-CB 3.67Å; Y1220-Q1252 HydrophobicContact CG-CG 4.44Å; K1250-Q1252 PolarHBondContact O-N 3.33Å; Q1252-S1254 PolarHBondContact O-N 3.39Å; Q1252-S1254 VanDerWaalsContact O-N 3.08Å; Q1252-E1255 VanDerWaalsContact O-CB 3.29Å; Q1252-E1255 WeakPolarHBondContact O-CB 3.5Å; Q1252-E1255 WeakPolarHBondContact O-CG 3.4Å; Q1252-E1255 PolarHBondContact O-N 3.23Å |
| 1253 | I | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -21.7 | 178.4 | -166.9 | 164.3 | 0 | 0 | 0 | 113.9 | V1249 K1250 G1251 E1255 M1256 T1257 F1274 F1275 L1278 V1288 I1292 | V1249-I1253 HydrophobicContact CG1-CB 3.72Å; V1249-I1253 HydrophobicContact CG1-CD1 3.37Å; V1249-I1253 HydrophobicContact CG1-CG1 4.1Å; V1249-I1253 HydrophobicContact CG1-CG2 3.81Å; K1250-I1253 PolarHBondContact O-N 3.21Å; G1251-I1253 PolarHBondContact O-N 3.25Å; I1253-E1255 PolarHBondContact O-N 3.4Å; I1253-M1256 HydrophobicContact CG1-SD 4.27Å; I1253-M1256 WeakPolarHBondContact O-CB 3.3Å; I1253-M1256 PolarHBondContact O-N 3.24Å; I1253-T1257 PolarHBondContact O-N 3.35Å; I1253-F1274 HydrophobicContact CD1-CE1 4.07Å; I1253-F1274 HydrophobicContact CD1-CZ 4.05Å; I1253-F1274 HydrophobicContact CG1-CE1 4.41Å; I1253-F1275 HydrophobicContact CD1-CE1 4.16Å; I1253-F1275 HydrophobicContact CG1-CE1 4.21Å; I1253-F1275 HydrophobicContact CG1-CZ 4.33Å; I1253-L1278 HydrophobicContact CD1-CD2 3.7Å; I1253-V1288 HydrophobicContact CD1-CG2 4.44Å; I1253-V1288 HydrophobicContact CG2-CB 3.94Å; I1253-V1288 HydrophobicContact CG2-CG1 4.21Å; I1253-V1288 HydrophobicContact CG2-CG2 4.42Å; I1253-I1292 HydrophobicContact CG2-CD1 4.47Å; I1253-I1292 HydrophobicContact CG2-CG1 4.26Å |
| 1254 | S | 86.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -23.7 | 172.6 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | G1251 Q1252 M1256 T1257 V1258 R1295 | G1251-S1254 PolarHBondContact O-N 2.84Å; G1251-S1254 PolarHBondContact O-OG 3.43Å; Q1252-S1254 PolarHBondContact O-N 3.39Å; Q1252-S1254 VanDerWaalsContact O-N 3.08Å; S1254-M1256 PolarHBondContact O-N 3.06Å; S1254-T1257 WeakPolarHBondContact CA-OG1 3.09Å; S1254-T1257 PolarHBondContact O-N 3.17Å; S1254-T1257 VanDerWaalsContact O-N 3.16Å; S1254-T1257 PolarHBondContact O-OG1 3.48Å; S1254-V1258 PolarHBondContact O-N 2.95Å; S1254-R1295 WeakPolarHBondContact OG-CD 3.38Å; S1254-R1295 PolarHBondContact OG-NH1 3.42Å |
| 1255 | E | 87.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 172.9 | -62.6 | -59.1 | 144.7 | 0 | 0 | 110.6 | Y1220 L1223 R1224 Q1252 I1253 T1257 V1258 | Y1220-E1255 HydrophobicContact CD1-CB 4.38Å; L1223-E1255 HydrophobicContact CD1-CB 3.89Å; R1224-E1255 IonicContact CZ-OE1 2.96Å; R1224-E1255 IonicContact CZ-OE2 3.21Å; R1224-E1255 IonicContact NE-OE2 3.64Å; R1224-E1255 PolarHBondContact NE-OE2 3.26Å; R1224-E1255 VanDerWaalsContact NH2-CD 3.25Å; R1224-E1255 IonicContact NH2-OE1 3.32Å; R1224-E1255 PolarHBondContact NH2-OE1 3.23Å; R1224-E1255 IonicContact NH2-OE2 3.5Å; R1224-E1255 PolarHBondContact NH2-OE2 2.79Å; Q1252-E1255 VanDerWaalsContact O-CB 3.29Å; Q1252-E1255 WeakPolarHBondContact O-CB 3.5Å; Q1252-E1255 WeakPolarHBondContact O-CG 3.4Å; Q1252-E1255 PolarHBondContact O-N 3.23Å; I1253-E1255 PolarHBondContact O-N 3.4Å; E1255-T1257 VanDerWaalsContact C-N 3.34Å; E1255-V1258 PolarHBondContact O-N 3.3Å |
| 1256 | M | 92 | Very high | 85 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70 | -30.6 | 174.9 | -60.9 | 177.4 | 78.3 | 0 | 0 | 112.3 | Y1220 L1223 L1235 L1238 I1242 I1253 S1254 V1258 C1259 F1274 F1275 | Y1220-M1256 HydrophobicContact CD1-CG 4.46Å; Y1220-M1256 HydrophobicContact CE1-CG 4.17Å; Y1220-M1256 HydrophobicContact CE1-SD 4.05Å; L1223-M1256 HydrophobicContact CD1-CB 4.39Å; L1223-M1256 HydrophobicContact CD1-CG 3.57Å; L1235-M1256 HydrophobicContact CD1-CB 4.44Å; L1235-M1256 HydrophobicContact CD1-CE 3.66Å; L1235-M1256 HydrophobicContact CD1-CG 4.45Å; L1238-M1256 HydrophobicContact CB-CE 4.05Å; L1238-M1256 HydrophobicContact CB-SD 4.23Å; I1242-M1256 HydrophobicContact CD1-CE 4.13Å; I1242-M1256 HydrophobicContact CD1-SD 3.37Å; I1242-M1256 WeakPolarHBondContact CD1-SD 3.4Å; I1253-M1256 HydrophobicContact CG1-SD 4.27Å; I1253-M1256 WeakPolarHBondContact O-CB 3.3Å; I1253-M1256 PolarHBondContact O-N 3.24Å; S1254-M1256 PolarHBondContact O-N 3.06Å; M1256-V1258 PolarHBondContact O-N 3.46Å; M1256-C1259 WeakPolarHBondContact O-CB 3.18Å; M1256-C1259 PolarHBondContact O-N 3.46Å; M1256-C1259 VanDerWaalsContact O-N 3.15Å; M1256-F1274 HydrophobicContact CE-CD1 3.62Å; M1256-F1274 HydrophobicContact CE-CD2 4.09Å; M1256-F1274 HydrophobicContact CE-CE1 3.45Å; M1256-F1274 VanDerWaalsContact CE-CE1 3.45Å; M1256-F1274 HydrophobicContact CE-CE2 3.94Å; M1256-F1274 HydrophobicContact CE-CG 3.93Å; M1256-F1274 HydrophobicContact CE-CZ 3.61Å; M1256-F1274 HydrophobicContact SD-CD1 4.47Å; M1256-F1274 HydrophobicContact SD-CE1 3.78Å; M1256-F1274 HydrophobicContact SD-CZ 3.89Å; M1256-F1275 HydrophobicContact CB-CE2 4.33Å; M1256-F1275 HydrophobicContact CB-CZ 4.07Å |
| 1257 | T | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -26.5 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | I1253 S1254 E1255 C1259 L1260 F1275 I1292 I1311 L1315 | I1253-T1257 PolarHBondContact O-N 3.35Å; S1254-T1257 WeakPolarHBondContact CA-OG1 3.09Å; S1254-T1257 PolarHBondContact O-N 3.17Å; S1254-T1257 VanDerWaalsContact O-N 3.16Å; S1254-T1257 PolarHBondContact O-OG1 3.48Å; E1255-T1257 VanDerWaalsContact C-N 3.34Å; T1257-C1259 PolarHBondContact O-N 2.91Å; T1257-L1260 VanDerWaalsContact O-CB 3.31Å; T1257-L1260 WeakPolarHBondContact O-CB 3.3Å; T1257-L1260 PolarHBondContact O-N 3.4Å; T1257-L1260 VanDerWaalsContact O-N 3.15Å; T1257-F1275 HydrophobicContact CG2-CE1 3.88Å; T1257-F1275 HydrophobicContact CG2-CE2 3.81Å; T1257-F1275 HydrophobicContact CG2-CZ 3.27Å; T1257-I1292 HydrophobicContact CG2-CD1 3.82Å; T1257-I1292 HydrophobicContact CG2-CG1 4.12Å; T1257-I1292 HydrophobicContact CG2-CG2 4.01Å; T1257-I1311 HydrophobicContact CG2-CG2 4.47Å; T1257-I1311 WeakPolarHBondContact O-CD1 3.39Å; T1257-L1315 HydrophobicContact CG2-CD1 3.72Å |
| 1258 | V | 90.7 | Very high | 85.6 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -27.6 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | S1254 E1255 M1256 L1260 V1261 D1262 L1296 V1303 | S1254-V1258 PolarHBondContact O-N 2.95Å; E1255-V1258 PolarHBondContact O-N 3.3Å; M1256-V1258 PolarHBondContact O-N 3.46Å; V1258-L1260 PolarHBondContact O-N 3.02Å; V1258-V1261 WeakPolarHBondContact O-CG2 3.27Å; V1258-V1261 PolarHBondContact O-N 3.07Å; V1258-V1261 VanDerWaalsContact O-N 3.11Å; V1258-D1262 PolarHBondContact O-N 3.3Å; V1258-L1296 HydrophobicContact CG2-CD2 4.23Å; V1258-V1303 HydrophobicContact CG1-CG1 4.41Å; V1258-V1303 HydrophobicContact CG2-CG1 3.94Å |
| 1259 | C | 92.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.9 | -16.6 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | L1235 M1256 T1257 V1261 D1262 N1268 A1271 | L1235-C1259 HydrophobicContact CD2-CB 4.18Å; M1256-C1259 WeakPolarHBondContact O-CB 3.18Å; M1256-C1259 PolarHBondContact O-N 3.46Å; M1256-C1259 VanDerWaalsContact O-N 3.15Å; T1257-C1259 PolarHBondContact O-N 2.91Å; C1259-V1261 PolarHBondContact O-N 3.03Å; C1259-D1262 PolarHBondContact O-N 2.96Å; C1259-N1268 WeakPolarHBondContact O-CA 3.5Å; C1259-A1271 HydrophobicContact CB-CB 3.81Å |
| 1260 | L | 92.7 | Very high | 87.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -68.1 | -14.9 | 172.5 | -66 | 167.1 | 0 | 0 | 0 | 113.1 | T1257 V1258 N1268 A1271 R1272 F1275 I1311 F1314 L1315 | T1257-L1260 VanDerWaalsContact O-CB 3.31Å; T1257-L1260 WeakPolarHBondContact O-CB 3.3Å; T1257-L1260 PolarHBondContact O-N 3.4Å; T1257-L1260 VanDerWaalsContact O-N 3.15Å; V1258-L1260 PolarHBondContact O-N 3.02Å; L1260-N1268 VanDerWaalsContact O-CG 3.28Å; L1260-N1268 PolarHBondContact O-ND2 3.17Å; L1260-N1268 PolarHBondContact O-OD1 3.29Å; L1260-A1271 HydrophobicContact CD2-CB 3.81Å; L1260-A1271 HydrophobicContact CG-CB 4.13Å; L1260-R1272 HydrophobicContact CD2-CB 4.3Å; L1260-R1272 HydrophobicContact CD2-CG 3.57Å; L1260-F1275 HydrophobicContact CD1-CD2 4.05Å; L1260-F1275 HydrophobicContact CD1-CE2 4.19Å; L1260-F1275 HydrophobicContact CD2-CD2 4.26Å; L1260-F1275 HydrophobicContact CG-CD2 4.31Å; L1260-F1275 HydrophobicContact CG-CE2 4.43Å; L1260-I1311 HydrophobicContact CB-CG1 4.24Å; L1260-I1311 HydrophobicContact CD1-CG1 4.47Å; L1260-I1311 HydrophobicContact CD1-CG2 4.07Å; L1260-F1314 HydrophobicContact CD1-CD1 3.84Å; L1260-F1314 HydrophobicContact CD1-CE1 4.39Å; L1260-F1314 HydrophobicContact CD2-CD1 3.76Å; L1260-F1314 HydrophobicContact CD2-CE1 3.74Å; L1260-F1314 HydrophobicContact CG-CD1 4.46Å; L1260-L1315 HydrophobicContact CD1-CD1 4.44Å; L1260-L1315 HydrophobicContact CD1-CD2 4.12Å; L1260-L1315 HydrophobicContact CD1-CG 4.16Å |
| 1261 | V | 89.9 | Confident | 88.3 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -124.4 | 23.3 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | V1258 C1259 H1307 I1311 | V1258-V1261 WeakPolarHBondContact O-CG2 3.27Å; V1258-V1261 PolarHBondContact O-N 3.07Å; V1258-V1261 VanDerWaalsContact O-N 3.11Å; C1259-V1261 PolarHBondContact O-N 3.03Å; V1261-H1307 HydrophobicContact CG1-CB 4.36Å; V1261-H1307 HydrophobicContact CG2-CB 4.09Å; V1261-I1311 HydrophobicContact CG1-CD1 4.46Å; V1261-I1311 HydrophobicContact CG1-CG1 3.94Å; V1261-I1311 HydrophobicContact CG2-CD1 4.11Å; V1261-I1311 HydrophobicContact CG2-CG1 4.43Å |
| 1262 | D | 90.9 | Very high | 89.5 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | trans | -64 | 152 | 173.1 | -157.6 | -67.7 | 0 | 0 | 0 | 109.7 | R1231 V1258 C1259 I1264 L1267 | R1231-D1262 IonicContact CZ-OD1 3.93Å; R1231-D1262 IonicContact CZ-OD2 3.26Å; R1231-D1262 IonicContact NE-OD1 3.07Å; R1231-D1262 IonicContact NE-OD2 3.75Å; R1231-D1262 PolarHBondContact NE-OD2 2.91Å; R1231-D1262 IonicContact NH2-OD1 2.97Å; R1231-D1262 PolarHBondContact NH2-OD1 2.86Å; R1231-D1262 IonicContact NH2-OD2 3.8Å; R1231-D1262 PolarHBondContact NH2-OD2 2.95Å; V1258-D1262 PolarHBondContact O-N 3.3Å; C1259-D1262 PolarHBondContact O-N 2.96Å; D1262-I1264 PolarHBondContact O-N 3.27Å; D1262-I1264 PolarHBondContact OD1-N 3.3Å; D1262-I1264 VanDerWaalsContact OD1-N 3.13Å; D1262-L1267 HydrophobicContact CB-CB 3.95Å; D1262-L1267 HydrophobicContact CB-CD1 4.28Å; D1262-L1267 VanDerWaalsContact CG-CD1 3.49Å; D1262-L1267 WeakPolarHBondContact OD2-CD1 3.25Å | ||
| 1263 | K | 86.6 | Confident | 89.9 | Confident | 211 Ų | 211 | 45 Ų | 45 | 92% | 0.917 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -68.5 | -20.1 | 178.3 | -62.5 | -177.3 | -179.8 | -177.5 | 0 | 112.3 | ||
| 1264 | I | 89.7 | Confident | 90.3 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 30% | 0.297 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -99 | 121.2 | -177.2 | -56.5 | -179.5 | 0 | 0 | 0 | 109 | A1228 R1231 D1262 R1266 L1267 N1268 | A1228-I1264 HydrophobicContact CB-CD1 3.1Å; R1231-I1264 VanDerWaalsContact NH2-CD1 3.34Å; D1262-I1264 PolarHBondContact O-N 3.27Å; D1262-I1264 PolarHBondContact OD1-N 3.3Å; D1262-I1264 VanDerWaalsContact OD1-N 3.13Å; I1264-R1266 HydrophobicContact CG2-CB 4.32Å; I1264-R1266 PolarHBondContact O-N 3.43Å; I1264-L1267 HydrophobicContact CB-CD1 4.21Å; I1264-L1267 HydrophobicContact CD1-CD1 4.41Å; I1264-L1267 WeakPolarHBondContact O-CB 3.03Å; I1264-L1267 PolarHBondContact O-N 3.38Å; I1264-L1267 VanDerWaalsContact O-N 3.12Å; I1264-N1268 PolarHBondContact O-N 3.25Å |
| 1265 | D | 86.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 45.1 Ų | 45.1 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | -173.9 | -170.8 | 68.3 | 0 | 0 | 0 | 113.2 | L1267 N1268 I1269 | D1265-L1267 PolarHBondContact O-N 3.08Å; D1265-L1267 VanDerWaalsContact O-N 3.09Å; D1265-N1268 WeakPolarHBondContact O-CA 3.27Å; D1265-N1268 WeakPolarHBondContact O-CB 3.48Å; D1265-N1268 PolarHBondContact O-N 2.99Å; D1265-I1269 PolarHBondContact O-N 3.06Å; D1265-I1269 WeakPolarHBondContact OD2-CD1 3.46Å |
| 1266 | R | 87.4 | Confident | 90.7 | Very high | 122 Ų | 122 | 47.8 Ų | 47.8 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53 | -37.1 | 174.9 | -179.3 | 64.2 | 78.1 | 177.2 | -2.4 | 113.3 | E561 I1264 L1270 | E561-R1266 VanDerWaalsContact CD-NH1 3.35Å; E561-R1266 IonicContact OE1-CZ 3.62Å; E561-R1266 IonicContact OE1-NH1 3.62Å; E561-R1266 PolarHBondContact OE1-NH1 3.14Å; E561-R1266 IonicContact OE2-CZ 2.81Å; E561-R1266 IonicContact OE2-NH1 3.66Å; E561-R1266 PolarHBondContact OE2-NH1 2.79Å; E561-R1266 IonicContact OE2-NH2 3.67Å; E561-R1266 PolarHBondContact OE2-NH2 2.93Å; I1264-R1266 HydrophobicContact CG2-CB 4.32Å; I1264-R1266 PolarHBondContact O-N 3.43Å; R1266-L1270 HydrophobicContact CG-CD1 4.23Å; R1266-L1270 WeakPolarHBondContact O-CB 3.38Å; R1266-L1270 VanDerWaalsContact O-CG 3.25Å; R1266-L1270 WeakPolarHBondContact O-CG 3.44Å; R1266-L1270 PolarHBondContact O-N 3.26Å; R1266-L1270 VanDerWaalsContact O-N 3.14Å |
| 1267 | L | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.4 | -37.4 | 176.6 | -79.2 | 171.3 | 0 | 0 | 0 | 111.9 | R1231 T1232 L1235 D1262 I1264 D1265 A1271 | R1231-L1267 HydrophobicContact CB-CD1 3.75Å; R1231-L1267 HydrophobicContact CB-CD2 4.16Å; T1232-L1267 WeakPolarHBondContact OG1-CD2 3.33Å; L1235-L1267 HydrophobicContact CB-CD2 4.36Å; L1235-L1267 HydrophobicContact CD2-CD2 3.88Å; D1262-L1267 HydrophobicContact CB-CB 3.95Å; D1262-L1267 HydrophobicContact CB-CD1 4.28Å; D1262-L1267 VanDerWaalsContact CG-CD1 3.49Å; D1262-L1267 WeakPolarHBondContact OD2-CD1 3.25Å; I1264-L1267 HydrophobicContact CB-CD1 4.21Å; I1264-L1267 HydrophobicContact CD1-CD1 4.41Å; I1264-L1267 WeakPolarHBondContact O-CB 3.03Å; I1264-L1267 PolarHBondContact O-N 3.38Å; I1264-L1267 VanDerWaalsContact O-N 3.12Å; D1265-L1267 PolarHBondContact O-N 3.08Å; D1265-L1267 VanDerWaalsContact O-N 3.09Å; L1267-A1271 VanDerWaalsContact O-CB 3.29Å; L1267-A1271 WeakPolarHBondContact O-CB 3.2Å; L1267-A1271 PolarHBondContact O-N 3.35Å |
| 1268 | N | 89.4 | Confident | 90.4 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -52.4 | 175.1 | -160.6 | -37.5 | 0 | 0 | 0 | 110.6 | C1259 L1260 I1264 D1265 L1270 A1271 R1272 | C1259-N1268 WeakPolarHBondContact O-CA 3.5Å; L1260-N1268 VanDerWaalsContact O-CG 3.28Å; L1260-N1268 PolarHBondContact O-ND2 3.17Å; L1260-N1268 PolarHBondContact O-OD1 3.29Å; I1264-N1268 PolarHBondContact O-N 3.25Å; D1265-N1268 WeakPolarHBondContact O-CA 3.27Å; D1265-N1268 WeakPolarHBondContact O-CB 3.48Å; D1265-N1268 PolarHBondContact O-N 2.99Å; N1268-L1270 PolarHBondContact O-N 3.32Å; N1268-A1271 PolarHBondContact O-N 2.85Å; N1268-R1272 WeakPolarHBondContact O-CG 3.4Å; N1268-R1272 PolarHBondContact O-N 3.27Å; N1268-R1272 WeakPolarHBondContact OD1-CD 3.03Å; N1268-R1272 PolarHBondContact OD1-NE 3.1Å |
| 1269 | I | 90.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 178.7 | -64.6 | 174 | 0 | 0 | 0 | 111.3 | E561 D1265 A1271 R1272 R1273 | E561-I1269 HydrophobicContact CG-CD1 4.48Å; D1265-I1269 PolarHBondContact O-N 3.06Å; D1265-I1269 WeakPolarHBondContact OD2-CD1 3.46Å; I1269-A1271 VanDerWaalsContact C-N 3.3Å; I1269-A1271 PolarHBondContact O-N 3.41Å; I1269-R1272 PolarHBondContact O-N 2.85Å; I1269-R1273 WeakPolarHBondContact O-CB 3.47Å; I1269-R1273 PolarHBondContact O-N 3.4Å |
| 1270 | L | 89.8 | Confident | 89.9 | Confident | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 178.9 | -72.8 | 172.6 | 0 | 0 | 0 | 112.3 | T1232 L1235 R1266 N1268 F1274 | T1232-L1270 HydrophobicContact CG2-CD1 3.8Å; L1235-L1270 HydrophobicContact CD2-CB 3.74Å; R1266-L1270 HydrophobicContact CG-CD1 4.23Å; R1266-L1270 WeakPolarHBondContact O-CB 3.38Å; R1266-L1270 VanDerWaalsContact O-CG 3.25Å; R1266-L1270 WeakPolarHBondContact O-CG 3.44Å; R1266-L1270 PolarHBondContact O-N 3.26Å; R1266-L1270 VanDerWaalsContact O-N 3.14Å; N1268-L1270 PolarHBondContact O-N 3.32Å; L1270-F1274 WeakPolarHBondContact O-CB 3.23Å; L1270-F1274 PolarHBondContact O-N 3.41Å |
| 1271 | A | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1235 C1259 L1260 L1267 N1268 I1269 R1273 F1274 F1275 | L1235-A1271 HydrophobicContact CD2-CB 4.03Å; C1259-A1271 HydrophobicContact CB-CB 3.81Å; L1260-A1271 HydrophobicContact CD2-CB 3.81Å; L1260-A1271 HydrophobicContact CG-CB 4.13Å; L1267-A1271 VanDerWaalsContact O-CB 3.29Å; L1267-A1271 WeakPolarHBondContact O-CB 3.2Å; L1267-A1271 PolarHBondContact O-N 3.35Å; N1268-A1271 PolarHBondContact O-N 2.85Å; I1269-A1271 VanDerWaalsContact C-N 3.3Å; I1269-A1271 PolarHBondContact O-N 3.41Å; A1271-R1273 VanDerWaalsContact C-N 3.34Å; A1271-R1273 PolarHBondContact O-N 3.35Å; A1271-F1274 PolarHBondContact O-N 2.94Å; A1271-F1275 WeakPolarHBondContact O-CD2 3.01Å; A1271-F1275 PolarHBondContact O-N 3.15Å |
| 1272 | R | 95 | Very high | 88.9 | Confident | 72 Ų | 72 | 62 Ų | 62 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 175 | -73.5 | 176.5 | -176.6 | -90.5 | -7.4 | 111 | L1260 N1268 I1269 F1274 F1275 H1276 F1314 | L1260-R1272 HydrophobicContact CD2-CB 4.3Å; L1260-R1272 HydrophobicContact CD2-CG 3.57Å; N1268-R1272 WeakPolarHBondContact O-CG 3.4Å; N1268-R1272 PolarHBondContact O-N 3.27Å; N1268-R1272 WeakPolarHBondContact OD1-CD 3.03Å; N1268-R1272 PolarHBondContact OD1-NE 3.1Å; I1269-R1272 PolarHBondContact O-N 2.85Å; R1272-F1274 PolarHBondContact O-N 3.09Å; R1272-F1275 PolarHBondContact O-N 2.98Å; R1272-H1276 WeakPolarHBondContact O-CB 3.3Å; R1272-H1276 PolarHBondContact O-N 3.4Å; R1272-F1314 HydrophobicContact CB-CE1 4.19Å; R1272-F1314 HydrophobicContact CB-CE2 4.09Å; R1272-F1314 HydrophobicContact CB-CZ 3.6Å; R1272-F1314 HydrophobicContact CG-CD2 4.4Å; R1272-F1314 HydrophobicContact CG-CE1 4.04Å; R1272-F1314 HydrophobicContact CG-CE2 3.88Å; R1272-F1314 HydrophobicContact CG-CZ 3.68Å; R1272-F1314 VanDerWaalsContact NH1-CD2 3.29Å |
| 1273 | R | 90.5 | Very high | 88.5 | Confident | 159 Ų | 159 | 64.1 Ų | 64.1 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 176.8 | -177.7 | 177.8 | 171.9 | 169.7 | 3.2 | 112.1 | I1269 A1271 F1275 H1276 E1277 | I1269-R1273 WeakPolarHBondContact O-CB 3.47Å; I1269-R1273 PolarHBondContact O-N 3.4Å; A1271-R1273 VanDerWaalsContact C-N 3.34Å; A1271-R1273 PolarHBondContact O-N 3.35Å; R1273-F1275 PolarHBondContact O-N 2.91Å; R1273-H1276 PolarHBondContact O-N 3.49Å; R1273-E1277 HydrophobicContact CG-CG 4.47Å; R1273-E1277 IonicContact CZ-OE1 2.62Å; R1273-E1277 IonicContact NE-OE1 2.75Å; R1273-E1277 PolarHBondContact NE-OE1 2.91Å; R1273-E1277 IonicContact NH2-OE1 3.77Å; R1273-E1277 PolarHBondContact NH2-OE1 3.44Å; R1273-E1277 WeakPolarHBondContact O-CG 3.3Å; R1273-E1277 PolarHBondContact O-N 3.2Å |
| 1274 | F | 93.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 177.7 | 165.1 | -105.4 | 0 | 0 | 0 | 112.2 | S1239 I1242 L1243 I1253 M1256 L1270 A1271 R1272 H1276 E1277 L1278 | S1239-F1274 VanDerWaalsContact OG-CD2 3.26Å; S1239-F1274 WeakPolarHBondContact OG-CD2 3.47Å; S1239-F1274 WeakPolarHBondContact OG-CG 3.45Å; I1242-F1274 HydrophobicContact CB-CE2 4.14Å; I1242-F1274 HydrophobicContact CB-CZ 4.32Å; I1242-F1274 HydrophobicContact CD1-CE2 4.36Å; I1242-F1274 HydrophobicContact CD1-CZ 3.92Å; I1242-F1274 HydrophobicContact CG2-CE2 3.99Å; I1242-F1274 HydrophobicContact CG2-CZ 3.94Å; L1243-F1274 HydrophobicContact CD1-CD2 4.23Å; L1243-F1274 HydrophobicContact CD2-CE2 4.35Å; L1243-F1274 HydrophobicContact CG-CD2 4.2Å; L1243-F1274 HydrophobicContact CG-CE2 4.12Å; I1253-F1274 HydrophobicContact CD1-CE1 4.07Å; I1253-F1274 HydrophobicContact CD1-CZ 4.05Å; I1253-F1274 HydrophobicContact CG1-CE1 4.41Å; M1256-F1274 HydrophobicContact CE-CD1 3.62Å; M1256-F1274 HydrophobicContact CE-CD2 4.09Å; M1256-F1274 HydrophobicContact CE-CE1 3.45Å; M1256-F1274 VanDerWaalsContact CE-CE1 3.45Å; M1256-F1274 HydrophobicContact CE-CE2 3.94Å; M1256-F1274 HydrophobicContact CE-CG 3.93Å; M1256-F1274 HydrophobicContact CE-CZ 3.61Å; M1256-F1274 HydrophobicContact SD-CD1 4.47Å; M1256-F1274 HydrophobicContact SD-CE1 3.78Å; M1256-F1274 HydrophobicContact SD-CZ 3.89Å; L1270-F1274 WeakPolarHBondContact O-CB 3.23Å; L1270-F1274 PolarHBondContact O-N 3.41Å; A1271-F1274 PolarHBondContact O-N 2.94Å; R1272-F1274 PolarHBondContact O-N 3.09Å; F1274-H1276 VanDerWaalsContact C-N 3.34Å; F1274-E1277 PolarHBondContact O-N 3.29Å; F1274-L1278 HydrophobicContact CE1-CD2 4.16Å; F1274-L1278 HydrophobicContact CZ-CD2 3.98Å; F1274-L1278 VanDerWaalsContact O-CB 3.27Å; F1274-L1278 WeakPolarHBondContact O-CB 3.48Å; F1274-L1278 PolarHBondContact O-N 3.32Å |
| 1275 | F | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.9 | -30.8 | -179.8 | -76.9 | -67.8 | 0 | 0 | 0 | 112.8 | I1253 M1256 T1257 L1260 A1271 R1272 R1273 L1278 S1279 L1285 F1314 L1315 L1318 | I1253-F1275 HydrophobicContact CD1-CE1 4.16Å; I1253-F1275 HydrophobicContact CG1-CE1 4.21Å; I1253-F1275 HydrophobicContact CG1-CZ 4.33Å; M1256-F1275 HydrophobicContact CB-CE2 4.33Å; M1256-F1275 HydrophobicContact CB-CZ 4.07Å; T1257-F1275 HydrophobicContact CG2-CE1 3.88Å; T1257-F1275 HydrophobicContact CG2-CE2 3.81Å; T1257-F1275 HydrophobicContact CG2-CZ 3.27Å; L1260-F1275 HydrophobicContact CD1-CD2 4.05Å; L1260-F1275 HydrophobicContact CD1-CE2 4.19Å; L1260-F1275 HydrophobicContact CD2-CD2 4.26Å; L1260-F1275 HydrophobicContact CG-CD2 4.31Å; L1260-F1275 HydrophobicContact CG-CE2 4.43Å; A1271-F1275 WeakPolarHBondContact O-CD2 3.01Å; A1271-F1275 PolarHBondContact O-N 3.15Å; R1272-F1275 PolarHBondContact O-N 2.98Å; R1273-F1275 PolarHBondContact O-N 2.91Å; F1275-L1278 HydrophobicContact CD1-CD2 4.2Å; F1275-L1278 HydrophobicContact CE1-CD2 4.38Å; F1275-S1279 WeakPolarHBondContact O-CB 3.48Å; F1275-S1279 PolarHBondContact O-N 3.33Å; F1275-L1285 HydrophobicContact CD1-CD1 4.06Å; F1275-F1314 HydrophobicContact CB-CE1 3.96Å; F1275-L1315 HydrophobicContact CB-CD2 3.74Å; F1275-L1315 HydrophobicContact CD1-CD2 3.66Å; F1275-L1315 HydrophobicContact CD2-CD2 3.98Å; F1275-L1315 HydrophobicContact CE1-CD2 4.3Å; F1275-L1315 HydrophobicContact CG-CD2 3.5Å; F1275-L1318 HydrophobicContact CB-CD1 4.22Å |
| 1276 | H | 89.8 | Confident | 88.3 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64 | -50.9 | 170.5 | -169.4 | 88.5 | 0 | 0 | 0 | 111 | R1272 R1273 F1274 L1278 S1279 Q1280 | R1272-H1276 WeakPolarHBondContact O-CB 3.3Å; R1272-H1276 PolarHBondContact O-N 3.4Å; R1273-H1276 PolarHBondContact O-N 3.49Å; F1274-H1276 VanDerWaalsContact C-N 3.34Å; H1276-L1278 VanDerWaalsContact C-N 3.3Å; H1276-L1278 PolarHBondContact O-N 2.97Å; H1276-S1279 WeakPolarHBondContact O-CB 3.24Å; H1276-S1279 PolarHBondContact O-N 3.5Å; H1276-S1279 VanDerWaalsContact O-N 3.11Å; H1276-S1279 PolarHBondContact O-OG 2.69Å; H1276-Q1280 PolarHBondContact CD2-NE2 3.13Å; H1276-Q1280 VanDerWaalsContact CD2-NE2 3.32Å; H1276-Q1280 PolarHBondContact NE2-NE2 3.39Å; H1276-Q1280 PolarHBondContact O-N 3.27Å |
| 1277 | E | 88 | Confident | 88.2 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.2 | -70.6 | -177.4 | -166.3 | 0 | 0 | 112 | L1243 R1273 F1274 S1279 Q1280 K1281 | L1243-E1277 HydrophobicContact CD1-CB 4.26Å; L1243-E1277 WeakPolarHBondContact CD1-OE2 3.48Å; L1243-E1277 HydrophobicContact CD2-CB 4.25Å; R1273-E1277 HydrophobicContact CG-CG 4.47Å; R1273-E1277 IonicContact CZ-OE1 2.62Å; R1273-E1277 IonicContact NE-OE1 2.75Å; R1273-E1277 PolarHBondContact NE-OE1 2.91Å; R1273-E1277 IonicContact NH2-OE1 3.77Å; R1273-E1277 PolarHBondContact NH2-OE1 3.44Å; R1273-E1277 WeakPolarHBondContact O-CG 3.3Å; R1273-E1277 PolarHBondContact O-N 3.2Å; F1274-E1277 PolarHBondContact O-N 3.29Å; E1277-S1279 VanDerWaalsContact C-N 3.34Å; E1277-S1279 PolarHBondContact O-N 2.84Å; E1277-Q1280 PolarHBondContact O-N 3.33Å; E1277-K1281 PolarHBondContact O-N 2.97Å |
| 1278 | L | 88.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -33.8 | 175.7 | -172 | 66 | 0 | 0 | 0 | 112.4 | I1242 L1243 I1253 F1274 F1275 H1276 Q1280 K1281 A1284 | I1242-L1278 HydrophobicContact CG2-CD1 4.33Å; L1243-L1278 HydrophobicContact CD2-CB 4.43Å; L1243-L1278 HydrophobicContact CD2-CD1 4.34Å; I1253-L1278 HydrophobicContact CD1-CD2 3.7Å; F1274-L1278 HydrophobicContact CE1-CD2 4.16Å; F1274-L1278 HydrophobicContact CZ-CD2 3.98Å; F1274-L1278 VanDerWaalsContact O-CB 3.27Å; F1274-L1278 WeakPolarHBondContact O-CB 3.48Å; F1274-L1278 PolarHBondContact O-N 3.32Å; F1275-L1278 HydrophobicContact CD1-CD2 4.2Å; F1275-L1278 HydrophobicContact CE1-CD2 4.38Å; H1276-L1278 VanDerWaalsContact C-N 3.3Å; H1276-L1278 PolarHBondContact O-N 2.97Å; L1278-Q1280 PolarHBondContact O-N 2.89Å; L1278-K1281 PolarHBondContact O-N 2.86Å; L1278-A1284 HydrophobicContact CD1-CB 3.76Å; L1278-A1284 HydrophobicContact CG-CB 4.17Å |
| 1279 | S | 86.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -30.6 | 176.1 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | F1275 H1276 E1277 K1281 | F1275-S1279 WeakPolarHBondContact O-CB 3.48Å; F1275-S1279 PolarHBondContact O-N 3.33Å; H1276-S1279 WeakPolarHBondContact O-CB 3.24Å; H1276-S1279 PolarHBondContact O-N 3.5Å; H1276-S1279 VanDerWaalsContact O-N 3.11Å; H1276-S1279 PolarHBondContact O-OG 2.69Å; E1277-S1279 VanDerWaalsContact C-N 3.34Å; E1277-S1279 PolarHBondContact O-N 2.84Å; S1279-K1281 VanDerWaalsContact C-N 3.34Å |
| 1280 | Q | 85.6 | Confident | 87.9 | Confident | 138 Ų | 138 | 46.9 Ų | 46.9 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -75.9 | -21.9 | 177.2 | -61.2 | -176.7 | 11.1 | 0 | 0 | 112.5 | H1276 E1277 L1278 G1282 | H1276-Q1280 PolarHBondContact CD2-NE2 3.13Å; H1276-Q1280 VanDerWaalsContact CD2-NE2 3.32Å; H1276-Q1280 PolarHBondContact NE2-NE2 3.39Å; H1276-Q1280 PolarHBondContact O-N 3.27Å; E1277-Q1280 PolarHBondContact O-N 3.33Å; L1278-Q1280 PolarHBondContact O-N 2.89Å; Q1280-G1282 PolarHBondContact O-N 3.4Å |
| 1281 | K | 82.3 | Confident | 87.6 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -82.6 | 79.3 | 177.9 | -69 | -158.6 | 175.7 | -152.8 | 0 | 112.7 | L1243 E1277 L1278 S1279 N1283 A1284 | L1243-K1281 HydrophobicContact CD2-CD 4.13Å; L1243-K1281 PolarHBondContact O-NZ 3.43Å; E1277-K1281 PolarHBondContact O-N 2.97Å; L1278-K1281 PolarHBondContact O-N 2.86Å; S1279-K1281 VanDerWaalsContact C-N 3.34Å; K1281-N1283 PolarHBondContact O-N 3.03Å; K1281-A1284 WeakPolarHBondContact O-CB 3.39Å; K1281-A1284 PolarHBondContact O-N 3.44Å |
| 1282 | G | 78.5 | Confident | 87.5 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -117.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1280 K1321 | Q1280-G1282 PolarHBondContact O-N 3.4Å; G1282-K1321 PolarHBondContact O-NZ 3.45Å |
| 1283 | N | 82.7 | Confident | 87.2 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 21.6 | 179.2 | -59.7 | -17.6 | 0 | 0 | 0 | 111.6 | K1281 Y1286 N1287 K1321 L1324 | K1281-N1283 PolarHBondContact O-N 3.03Å; N1283-Y1286 PolarHBondContact O-N 2.89Å; N1283-N1287 PolarHBondContact O-N 3.4Å; N1283-N1287 PolarHBondContact O-ND2 3.33Å; N1283-K1321 PolarHBondContact OD1-NZ 2.68Å; N1283-L1324 HydrophobicContact CB-CD1 4.36Å; N1283-L1324 WeakPolarHBondContact OD1-CD1 3.37Å |
| 1284 | A | 85.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1278 K1281 Y1286 N1287 V1288 | L1278-A1284 HydrophobicContact CD1-CB 3.76Å; L1278-A1284 HydrophobicContact CG-CB 4.17Å; K1281-A1284 WeakPolarHBondContact O-CB 3.39Å; K1281-A1284 PolarHBondContact O-N 3.44Å; A1284-Y1286 VanDerWaalsContact C-N 3.33Å; A1284-Y1286 PolarHBondContact O-N 2.91Å; A1284-N1287 PolarHBondContact O-N 2.73Å; A1284-V1288 PolarHBondContact O-N 2.85Å |
| 1285 | L | 87.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 178.8 | -179.1 | 59.1 | 0 | 0 | 0 | 111.9 | F1275 N1287 V1288 V1289 L1315 L1318 I1319 | F1275-L1285 HydrophobicContact CD1-CD1 4.06Å; L1285-N1287 VanDerWaalsContact C-N 3.29Å; L1285-N1287 PolarHBondContact O-N 2.98Å; L1285-V1288 HydrophobicContact CD1-CG2 4.28Å; L1285-V1288 WeakPolarHBondContact O-CG2 3.43Å; L1285-V1288 PolarHBondContact O-N 3.01Å; L1285-V1289 HydrophobicContact CD1-CG2 4.17Å; L1285-V1289 HydrophobicContact CG-CG2 4.22Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; L1285-V1289 PolarHBondContact O-N 3.26Å; L1285-V1289 VanDerWaalsContact O-N 3.12Å; L1285-L1315 HydrophobicContact CD1-CD2 4.32Å; L1285-L1318 HydrophobicContact CD2-CB 3.74Å; L1285-L1318 HydrophobicContact CD2-CD1 4.33Å; L1285-I1319 HydrophobicContact CD2-CG1 4.09Å; L1285-I1319 HydrophobicContact CG-CG1 4.33Å |
| 1286 | Y | 86 | Confident | 86.3 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 178.5 | 162.2 | -94.4 | 0 | 0 | 0 | 113.1 | N1283 A1284 V1288 P1290 L1324 T1327 L1328 K1331 | N1283-Y1286 PolarHBondContact O-N 2.89Å; A1284-Y1286 VanDerWaalsContact C-N 3.33Å; A1284-Y1286 PolarHBondContact O-N 2.91Å; Y1286-V1288 VanDerWaalsContact C-N 3.28Å; Y1286-V1288 PolarHBondContact O-N 3.48Å; Y1286-P1290 WeakPolarHBondContact O-CD 3.38Å; Y1286-L1324 HydrophobicContact CD1-CD2 4.17Å; Y1286-L1324 HydrophobicContact CD2-CB 3.97Å; Y1286-L1324 HydrophobicContact CD2-CD2 4.44Å; Y1286-L1324 HydrophobicContact CE1-CD2 4.38Å; Y1286-L1324 HydrophobicContact CE2-CB 4.39Å; Y1286-L1324 WeakPolarHBondContact CE2-O 3.43Å; Y1286-L1324 HydrophobicContact CG-CB 4.33Å; Y1286-L1324 HydrophobicContact CG-CD1 4.39Å; Y1286-L1324 HydrophobicContact CG-CD2 4.2Å; Y1286-T1327 WeakPolarHBondContact CE2-OG1 3.38Å; Y1286-T1327 WeakPolarHBondContact OH-CB 3.36Å; Y1286-T1327 PolarHBondContact OH-OG1 3.43Å; Y1286-L1328 HydrophobicContact CD2-CB 4.26Å; Y1286-L1328 HydrophobicContact CD2-CD1 4.4Å; Y1286-L1328 HydrophobicContact CE2-CB 3.94Å; Y1286-L1328 HydrophobicContact CE2-CD1 4.31Å; Y1286-K1331 VanDerWaalsContact OH-CE 3.28Å; Y1286-K1331 WeakPolarHBondContact OH-CE 3.16Å; Y1286-K1331 PolarHBondContact OH-NZ 3.16Å |
| 1287 | N | 86.2 | Confident | 86.1 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.7 | -27.5 | -178.1 | -72 | -27.4 | 0 | 0 | 0 | 112.8 | N1283 A1284 L1285 | N1283-N1287 PolarHBondContact O-N 3.4Å; N1283-N1287 PolarHBondContact O-ND2 3.33Å; A1284-N1287 PolarHBondContact O-N 2.73Å; L1285-N1287 VanDerWaalsContact C-N 3.29Å; L1285-N1287 PolarHBondContact O-N 2.98Å |
| 1288 | V | 87.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -96.8 | -21.3 | -174.2 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | V1249 I1253 A1284 L1285 Y1286 D1291 I1292 | V1249-V1288 HydrophobicContact CB-CG1 4.16Å; V1249-V1288 HydrophobicContact CG1-CB 4.5Å; V1249-V1288 HydrophobicContact CG1-CG1 3.43Å; V1249-V1288 VanDerWaalsContact CG1-CG1 3.43Å; I1253-V1288 HydrophobicContact CD1-CG2 4.44Å; I1253-V1288 HydrophobicContact CG2-CB 3.94Å; I1253-V1288 HydrophobicContact CG2-CG1 4.21Å; I1253-V1288 HydrophobicContact CG2-CG2 4.42Å; A1284-V1288 PolarHBondContact O-N 2.85Å; L1285-V1288 HydrophobicContact CD1-CG2 4.28Å; L1285-V1288 WeakPolarHBondContact O-CG2 3.43Å; L1285-V1288 PolarHBondContact O-N 3.01Å; Y1286-V1288 VanDerWaalsContact C-N 3.28Å; Y1286-V1288 PolarHBondContact O-N 3.48Å; V1288-D1291 CarbonylContact O-C 3.56Å; V1288-D1291 WeakPolarHBondContact O-CA 3.47Å; V1288-D1291 WeakPolarHBondContact O-CB 3.2Å; V1288-D1291 PolarHBondContact O-N 3.44Å; V1288-I1292 HydrophobicContact CB-CD1 4.31Å; V1288-I1292 HydrophobicContact CG2-CD1 3.87Å; V1288-I1292 WeakPolarHBondContact O-CG1 3.42Å; V1288-I1292 PolarHBondContact O-N 3.14Å |
| 1289 | V | 89.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.4 | -45.9 | 179 | 167.3 | 0 | 0 | 0 | 0 | 113 | L1285 D1291 I1292 I1293 M1312 I1319 L1328 | L1285-V1289 HydrophobicContact CD1-CG2 4.17Å; L1285-V1289 HydrophobicContact CG-CG2 4.22Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; L1285-V1289 PolarHBondContact O-N 3.26Å; L1285-V1289 VanDerWaalsContact O-N 3.12Å; V1289-D1291 VanDerWaalsContact C-N 3.33Å; V1289-D1291 PolarHBondContact O-N 3.44Å; V1289-I1292 PolarHBondContact O-N 2.9Å; V1289-I1293 HydrophobicContact CG1-CD1 3.79Å; V1289-I1293 HydrophobicContact CG1-CG1 4.43Å; V1289-I1293 WeakPolarHBondContact O-CG1 3.31Å; V1289-I1293 PolarHBondContact O-N 2.9Å; V1289-M1312 HydrophobicContact CG1-CE 4.24Å; V1289-I1319 HydrophobicContact CG2-CD1 3.85Å; V1289-L1328 HydrophobicContact CG1-CD1 4.07Å; V1289-L1328 HydrophobicContact CG1-CD2 4.29Å |
| 1290 | P | 85.1 | Confident | 84.6 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 173.7 | -25 | 35.2 | 0 | 0 | 0 | 111.7 | Y1286 I1292 I1293 S1294 L1328 R1335 | Y1286-P1290 WeakPolarHBondContact O-CD 3.38Å; P1290-I1292 VanDerWaalsContact C-N 3.3Å; P1290-I1292 PolarHBondContact O-N 3.21Å; P1290-I1293 PolarHBondContact O-N 3.49Å; P1290-S1294 PolarHBondContact O-N 3.03Å; P1290-L1328 HydrophobicContact CG-CD1 4.5Å; P1290-R1335 VanDerWaalsContact CB-NH2 3.31Å; P1290-R1335 PolarHBondContact O-NH1 2.75Å; P1290-R1335 PolarHBondContact O-NH2 3.21Å |
| 1291 | D | 84.4 | Confident | 83.9 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | -179.3 | -76.4 | -5.4 | 0 | 0 | 0 | 112.6 | V1288 V1289 R1295 | V1288-D1291 CarbonylContact O-C 3.56Å; V1288-D1291 WeakPolarHBondContact O-CA 3.47Å; V1288-D1291 WeakPolarHBondContact O-CB 3.2Å; V1288-D1291 PolarHBondContact O-N 3.44Å; V1289-D1291 VanDerWaalsContact C-N 3.33Å; V1289-D1291 PolarHBondContact O-N 3.44Å; D1291-R1295 PolarHBondContact O-N 3.25Å; D1291-R1295 PolarHBondContact O-NH1 3.11Å; D1291-R1295 PolarHBondContact O-NH2 2.62Å |
| 1292 | I | 90.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -53.3 | 173.1 | -68.6 | 163.2 | 0 | 0 | 0 | 109.7 | I1253 T1257 V1288 V1289 P1290 S1294 R1295 L1296 M1312 L1315 | I1253-I1292 HydrophobicContact CG2-CD1 4.47Å; I1253-I1292 HydrophobicContact CG2-CG1 4.26Å; T1257-I1292 HydrophobicContact CG2-CD1 3.82Å; T1257-I1292 HydrophobicContact CG2-CG1 4.12Å; T1257-I1292 HydrophobicContact CG2-CG2 4.01Å; V1288-I1292 HydrophobicContact CB-CD1 4.31Å; V1288-I1292 HydrophobicContact CG2-CD1 3.87Å; V1288-I1292 WeakPolarHBondContact O-CG1 3.42Å; V1288-I1292 PolarHBondContact O-N 3.14Å; V1289-I1292 PolarHBondContact O-N 2.9Å; P1290-I1292 VanDerWaalsContact C-N 3.3Å; P1290-I1292 PolarHBondContact O-N 3.21Å; I1292-S1294 VanDerWaalsContact C-N 3.28Å; I1292-S1294 PolarHBondContact O-N 2.84Å; I1292-R1295 PolarHBondContact O-N 2.92Å; I1292-R1295 VanDerWaalsContact O-N 3.14Å; I1292-L1296 HydrophobicContact CG2-CD1 3.52Å; I1292-L1296 HydrophobicContact CG2-CG 4.07Å; I1292-L1296 WeakPolarHBondContact O-CB 3.38Å; I1292-L1296 WeakPolarHBondContact O-CG 3.18Å; I1292-L1296 PolarHBondContact O-N 3.35Å; I1292-M1312 HydrophobicContact CG2-SD 4.23Å; I1292-L1315 HydrophobicContact CD1-CD1 4.32Å; I1292-L1315 HydrophobicContact CG2-CD1 4.4Å |
| 1293 | I | 88.7 | Confident | 84 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | -179.6 | -67.2 | 166.7 | 0 | 0 | 0 | 110.9 | V1289 P1290 R1295 S1297 F1308 M1312 L1332 L1348 C1351 | V1289-I1293 HydrophobicContact CG1-CD1 3.79Å; V1289-I1293 HydrophobicContact CG1-CG1 4.43Å; V1289-I1293 WeakPolarHBondContact O-CG1 3.31Å; V1289-I1293 PolarHBondContact O-N 2.9Å; P1290-I1293 PolarHBondContact O-N 3.49Å; I1293-R1295 VanDerWaalsContact C-N 3.29Å; I1293-R1295 PolarHBondContact O-N 3.24Å; I1293-S1297 WeakPolarHBondContact O-CB 3.33Å; I1293-S1297 PolarHBondContact O-N 3.14Å; I1293-S1297 PolarHBondContact O-OG 2.95Å; I1293-F1308 HydrophobicContact CG1-CZ 4.47Å; I1293-F1308 HydrophobicContact CG2-CZ 4.32Å; I1293-M1312 HydrophobicContact CD1-CE 3.89Å; I1293-M1312 HydrophobicContact CG1-CE 3.7Å; I1293-M1312 HydrophobicContact CG1-SD 4.01Å; I1293-L1332 HydrophobicContact CD1-CD2 3.52Å; I1293-L1348 HydrophobicContact CG2-CD2 3.99Å; I1293-C1351 HydrophobicContact CD1-CB 4.4Å |
| 1294 | S | 85.2 | Confident | 84.2 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -37.1 | -178.7 | -82.1 | 0 | 0 | 0 | 0 | 113.5 | P1290 I1292 S1297 R1335 | P1290-S1294 PolarHBondContact O-N 3.03Å; I1292-S1294 VanDerWaalsContact C-N 3.28Å; I1292-S1294 PolarHBondContact O-N 2.84Å; S1294-S1297 PolarHBondContact O-OG 3.1Å; S1294-R1335 PolarHBondContact OG-NH1 2.89Å; S1294-R1335 PolarHBondContact OG-NH2 3.11Å |
| 1295 | R | 86.2 | Confident | 84.3 | Confident | 67 Ų | 67 | 41 Ų | 41 | 25% | 0.253 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -89.7 | -36.3 | -172.9 | -149.3 | -179.8 | -57.9 | 69.8 | 18.5 | 111.8 | G1251 S1254 D1291 I1292 I1293 D1298 | G1251-R1295 VanDerWaalsContact C-NH2 3.34Å; G1251-R1295 PolarHBondContact O-NE 2.78Å; G1251-R1295 PolarHBondContact O-NH1 3.18Å; G1251-R1295 PolarHBondContact O-NH2 3.45Å; S1254-R1295 WeakPolarHBondContact OG-CD 3.38Å; S1254-R1295 PolarHBondContact OG-NH1 3.42Å; D1291-R1295 PolarHBondContact O-N 3.25Å; D1291-R1295 PolarHBondContact O-NH1 3.11Å; D1291-R1295 PolarHBondContact O-NH2 2.62Å; I1292-R1295 PolarHBondContact O-N 2.92Å; I1292-R1295 VanDerWaalsContact O-N 3.14Å; I1293-R1295 VanDerWaalsContact C-N 3.29Å; I1293-R1295 PolarHBondContact O-N 3.24Å; R1295-D1298 PolarHBondContact O-N 3.27Å |
| 1296 | L | 88.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.3 | -29.6 | 177 | -61.9 | -175 | 0 | 0 | 0 | 113 | V1258 I1292 D1298 V1303 F1308 I1311 | V1258-L1296 HydrophobicContact CG2-CD2 4.23Å; I1292-L1296 HydrophobicContact CG2-CD1 3.52Å; I1292-L1296 HydrophobicContact CG2-CG 4.07Å; I1292-L1296 WeakPolarHBondContact O-CB 3.38Å; I1292-L1296 WeakPolarHBondContact O-CG 3.18Å; I1292-L1296 PolarHBondContact O-N 3.35Å; L1296-D1298 VanDerWaalsContact C-N 3.31Å; L1296-V1303 HydrophobicContact CB-CG2 4.18Å; L1296-V1303 HydrophobicContact CD2-CG1 4.18Å; L1296-V1303 HydrophobicContact CD2-CG2 4.22Å; L1296-V1303 PolarHBondContact O-N 3.44Å; L1296-F1308 HydrophobicContact CB-CD2 3.59Å; L1296-F1308 HydrophobicContact CB-CE2 3.93Å; L1296-F1308 HydrophobicContact CD1-CD2 4.33Å; L1296-I1311 HydrophobicContact CD1-CD1 4.04Å; L1296-I1311 HydrophobicContact CD1-CG2 3.92Å |
| 1297 | S | 86.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.1 | 176.4 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | I1293 S1294 P1299 R1343 D1347 | I1293-S1297 WeakPolarHBondContact O-CB 3.33Å; I1293-S1297 PolarHBondContact O-N 3.14Å; I1293-S1297 PolarHBondContact O-OG 2.95Å; S1294-S1297 PolarHBondContact O-OG 3.1Å; S1297-P1299 WeakPolarHBondContact O-CD 3.37Å; S1297-R1343 PolarHBondContact O-NH1 3.35Å; S1297-D1347 WeakPolarHBondContact CA-OD2 3.44Å; S1297-D1347 WeakPolarHBondContact CB-OD2 3.17Å |
| 1298 | D | 83.8 | Confident | 84.8 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -67.1 | 122.8 | 176.3 | -168.4 | -53.5 | 0 | 0 | 0 | 109.8 | R1295 L1296 T1300 I1301 G1302 | R1295-D1298 PolarHBondContact O-N 3.27Å; L1296-D1298 VanDerWaalsContact C-N 3.31Å; D1298-T1300 PolarHBondContact O-N 3.35Å; D1298-T1300 WeakPolarHBondContact OD1-CB 3.42Å; D1298-T1300 PolarHBondContact OD1-N 3.42Å; D1298-T1300 PolarHBondContact OD1-OG1 3Å; D1298-I1301 PolarHBondContact OD1-N 3.16Å; D1298-G1302 WeakPolarHBondContact O-CA 3.37Å; D1298-G1302 PolarHBondContact O-N 2.97Å | ||
| 1299 | P | 72.7 | Confident | 85 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.9 | -177.9 | 28.2 | -34.7 | 0 | 0 | 0 | 114.3 | S1297 L1341 | S1297-P1299 WeakPolarHBondContact O-CD 3.37Å; P1299-L1341 HydrophobicContact CG-CD1 3.96Å |
| 1300 | T | 74.6 | Confident | 85 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -35 | -177.2 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | D1298 | D1298-T1300 PolarHBondContact O-N 3.35Å; D1298-T1300 WeakPolarHBondContact OD1-CB 3.42Å; D1298-T1300 PolarHBondContact OD1-N 3.42Å; D1298-T1300 PolarHBondContact OD1-OG1 3Å |
| 1301 | I | 71.1 | Confident | 85.4 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -24.4 | -173.7 | -61.1 | 162 | 0 | 0 | 0 | 111.9 | D1298 | D1298-I1301 PolarHBondContact OD1-N 3.16Š|
| 1302 | G | 77.3 | Confident | 85.8 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76.2 | -172.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1298 | D1298-G1302 WeakPolarHBondContact O-CA 3.37Å; D1298-G1302 PolarHBondContact O-N 2.97Å |
| 1303 | V | 85.5 | Confident | 85.9 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | trans | -91.1 | 171.1 | -179.6 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | V1258 L1296 H1307 F1308 I1311 R1343 | V1258-V1303 HydrophobicContact CG1-CG1 4.41Å; V1258-V1303 HydrophobicContact CG2-CG1 3.94Å; L1296-V1303 HydrophobicContact CB-CG2 4.18Å; L1296-V1303 HydrophobicContact CD2-CG1 4.18Å; L1296-V1303 HydrophobicContact CD2-CG2 4.22Å; L1296-V1303 PolarHBondContact O-N 3.44Å; V1303-H1307 HydrophobicContact CB-CB 3.98Å; V1303-H1307 HydrophobicContact CG2-CB 4.14Å; V1303-F1308 HydrophobicContact CG2-CB 3.97Å; V1303-I1311 HydrophobicContact CG2-CD1 4.43Å; V1303-R1343 PolarHBondContact O-NH1 3.26Å; V1303-R1343 PolarHBondContact O-NH2 3.38Å | ||
| 1304 | S | 87.4 | Confident | 86 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | trans | -62.1 | 160.1 | 169.9 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | E1306 H1307 F1308 | S1304-E1306 VanDerWaalsContact C-N 3.31Å; S1304-E1306 PolarHBondContact O-N 2.89Å; S1304-H1307 PolarHBondContact O-N 3.14Å; S1304-H1307 WeakPolarHBondContact OG-CB 3.41Å; S1304-H1307 VanDerWaalsContact OG-CG 3.22Å; S1304-H1307 PolarHBondContact OG-N 2.88Å; S1304-H1307 PolarHBondContact OG-ND1 3.17Å; S1304-F1308 WeakPolarHBondContact O-CB 3.48Å; S1304-F1308 PolarHBondContact O-N 3.32Å | ||
| 1305 | E | 85.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 179.2 | -165.4 | 170.7 | 160.2 | 0 | 0 | 112 | F1308 H1309 R1346 | E1305-F1308 WeakPolarHBondContact O-CB 3.33Å; E1305-F1308 PolarHBondContact O-N 3.32Å; E1305-H1309 PolarHBondContact O-N 2.89Å; E1305-H1309 IonicContact OE1-CE1 3.06Å; E1305-R1346 IonicContact OE1-CZ 2.63Å; E1305-R1346 IonicContact OE1-NH1 2.71Å; E1305-R1346 PolarHBondContact OE1-NH1 3.02Å; E1305-R1346 IonicContact OE2-CZ 3.11Å; E1305-R1346 VanDerWaalsContact OE2-CZ 3.3Å; E1305-R1346 IonicContact OE2-NH1 3.8Å; E1305-R1346 PolarHBondContact OE2-NH1 3.47Å; E1305-R1346 IonicContact OE2-NH2 2.7Å; E1305-R1346 PolarHBondContact OE2-NH2 3.38Å; E1305-R1346 VanDerWaalsContact OE2-NH2 3.14Å |
| 1306 | E | 88.2 | Confident | 86.6 | Confident | 158 Ų | 158 | 48.7 Ų | 48.7 | 74% | 0.738 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62 | -46 | 175.4 | -68.1 | 179.3 | 166.9 | 0 | 0 | 112.6 | S1304 H1309 S1310 | S1304-E1306 VanDerWaalsContact C-N 3.31Å; S1304-E1306 PolarHBondContact O-N 2.89Å; E1306-H1309 PolarHBondContact O-N 3.1Å; E1306-S1310 PolarHBondContact O-N 2.53Å |
| 1307 | H | 90.5 | Very high | 86.6 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 39% | 0.389 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 177.4 | -70.2 | 164 | 0 | 0 | 0 | 112.1 | V1261 V1303 S1304 H1309 S1310 I1311 | V1261-H1307 HydrophobicContact CG1-CB 4.36Å; V1261-H1307 HydrophobicContact CG2-CB 4.09Å; V1303-H1307 HydrophobicContact CB-CB 3.98Å; V1303-H1307 HydrophobicContact CG2-CB 4.14Å; S1304-H1307 PolarHBondContact O-N 3.14Å; S1304-H1307 WeakPolarHBondContact OG-CB 3.41Å; S1304-H1307 VanDerWaalsContact OG-CG 3.22Å; S1304-H1307 PolarHBondContact OG-N 2.88Å; S1304-H1307 PolarHBondContact OG-ND1 3.17Å; H1307-H1309 VanDerWaalsContact C-N 3.32Å; H1307-H1309 PolarHBondContact O-N 3.01Å; H1307-S1310 PolarHBondContact O-N 3.4Å; H1307-I1311 WeakPolarHBondContact O-CB 3.43Å; H1307-I1311 WeakPolarHBondContact O-CD1 3.4Å; H1307-I1311 VanDerWaalsContact O-CG1 3.22Å; H1307-I1311 WeakPolarHBondContact O-CG1 3.27Å; H1307-I1311 PolarHBondContact O-N 2.81Å |
| 1308 | F | 93 | Very high | 86.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 173.6 | 178 | -93.3 | 0 | 0 | 0 | 111 | I1293 L1296 V1303 S1304 E1305 I1311 M1312 D1347 | I1293-F1308 HydrophobicContact CG1-CZ 4.47Å; I1293-F1308 HydrophobicContact CG2-CZ 4.32Å; L1296-F1308 HydrophobicContact CB-CD2 3.59Å; L1296-F1308 HydrophobicContact CB-CE2 3.93Å; L1296-F1308 HydrophobicContact CD1-CD2 4.33Å; V1303-F1308 HydrophobicContact CG2-CB 3.97Å; S1304-F1308 WeakPolarHBondContact O-CB 3.48Å; S1304-F1308 PolarHBondContact O-N 3.32Å; E1305-F1308 WeakPolarHBondContact O-CB 3.33Å; E1305-F1308 PolarHBondContact O-N 3.32Å; F1308-I1311 PolarHBondContact O-N 2.92Å; F1308-M1312 HydrophobicContact CD1-CG 4.23Å; F1308-M1312 HydrophobicContact CD2-CG 4.27Å; F1308-M1312 HydrophobicContact CE1-CG 3.77Å; F1308-M1312 HydrophobicContact CE2-CG 3.85Å; F1308-M1312 HydrophobicContact CE2-SD 4.41Å; F1308-M1312 HydrophobicContact CG-CG 4.45Å; F1308-M1312 HydrophobicContact CZ-CG 3.56Å; F1308-M1312 HydrophobicContact CZ-SD 4.41Å; F1308-M1312 WeakPolarHBondContact O-CB 3.46Å; F1308-M1312 WeakPolarHBondContact O-CG 3.33Å; F1308-M1312 PolarHBondContact O-N 3.25Å; F1308-D1347 HydrophobicContact CD1-CB 4.02Å; F1308-D1347 HydrophobicContact CE1-CB 3.45Å; F1308-D1347 VanDerWaalsContact CE1-CB 3.45Å; F1308-D1347 HydrophobicContact CE2-CB 4.44Å; F1308-D1347 HydrophobicContact CZ-CB 3.69Å |
| 1309 | H | 90.9 | Very high | 86.9 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 178.3 | -68.1 | 164.1 | 0 | 0 | 0 | 111.9 | E1305 E1306 H1307 I1311 M1312 E1313 F1350 | E1305-H1309 PolarHBondContact O-N 2.89Å; E1305-H1309 IonicContact OE1-CE1 3.06Å; E1306-H1309 PolarHBondContact O-N 3.1Å; H1307-H1309 VanDerWaalsContact C-N 3.32Å; H1307-H1309 PolarHBondContact O-N 3.01Å; H1309-I1311 VanDerWaalsContact C-N 3.33Å; H1309-I1311 PolarHBondContact O-N 2.71Å; H1309-M1312 PolarHBondContact O-N 3.2Å; H1309-E1313 WeakPolarHBondContact O-CB 3.34Å; H1309-E1313 PolarHBondContact O-N 3.29Å; H1309-F1350 HydrophobicContact CB-CD1 4.37Å; H1309-F1350 HydrophobicContact CB-CE1 3.77Å; H1309-F1350 HydrophobicContact CB-CE2 3.96Å; H1309-F1350 HydrophobicContact CB-CZ 3.53Å; H1309-F1350 AromaticContact CD2-CD1 3.3Å; H1309-F1350 WeakPolarHBondContact CD2-CD1 3.4Å; H1309-F1350 AromaticContact CD2-CD2 3.5Å; H1309-F1350 AromaticContact CD2-CE1 3.63Å; H1309-F1350 AromaticContact CD2-CE2 3.81Å; H1309-F1350 AromaticContact CD2-CG 3.24Å; H1309-F1350 WeakPolarHBondContact CD2-CG 3.44Å; H1309-F1350 AromaticContact CD2-CZ 3.87Å; H1309-F1350 AromaticContact CG-CD2 3.85Å; H1309-F1350 AromaticContact CG-CE1 3.9Å; H1309-F1350 AromaticContact CG-CE2 3.71Å; H1309-F1350 AromaticContact CG-CZ 3.73Å; H1309-F1350 AromaticContact NE2-CD2 3.62Å; H1309-F1350 AromaticContact NE2-CG 3.48Å; H1309-F1350 WeakPolarHBondContact NE2-CG 3.48Å |
| 1310 | S | 90.8 | Very high | 87.3 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | E1306 H1307 F1314 | E1306-S1310 PolarHBondContact O-N 2.53Å; H1307-S1310 PolarHBondContact O-N 3.4Å; S1310-F1314 PolarHBondContact O-N 2.94Å |
| 1311 | I | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 176.2 | -69.9 | 167.4 | 0 | 0 | 0 | 111.1 | T1257 L1260 V1261 L1296 V1303 H1307 F1308 H1309 F1314 L1315 | T1257-I1311 HydrophobicContact CG2-CG2 4.47Å; T1257-I1311 WeakPolarHBondContact O-CD1 3.39Å; L1260-I1311 HydrophobicContact CB-CG1 4.24Å; L1260-I1311 HydrophobicContact CD1-CG1 4.47Å; L1260-I1311 HydrophobicContact CD1-CG2 4.07Å; V1261-I1311 HydrophobicContact CG1-CD1 4.46Å; V1261-I1311 HydrophobicContact CG1-CG1 3.94Å; V1261-I1311 HydrophobicContact CG2-CD1 4.11Å; V1261-I1311 HydrophobicContact CG2-CG1 4.43Å; L1296-I1311 HydrophobicContact CD1-CD1 4.04Å; L1296-I1311 HydrophobicContact CD1-CG2 3.92Å; V1303-I1311 HydrophobicContact CG2-CD1 4.43Å; H1307-I1311 WeakPolarHBondContact O-CB 3.43Å; H1307-I1311 WeakPolarHBondContact O-CD1 3.4Å; H1307-I1311 VanDerWaalsContact O-CG1 3.22Å; H1307-I1311 WeakPolarHBondContact O-CG1 3.27Å; H1307-I1311 PolarHBondContact O-N 2.81Å; F1308-I1311 PolarHBondContact O-N 2.92Å; H1309-I1311 VanDerWaalsContact C-N 3.33Å; H1309-I1311 PolarHBondContact O-N 2.71Å; I1311-F1314 PolarHBondContact O-N 2.86Å; I1311-L1315 HydrophobicContact CG2-CD1 3.67Å; I1311-L1315 HydrophobicContact CG2-CG 4.34Å; I1311-L1315 WeakPolarHBondContact O-CG 3.42Å; I1311-L1315 PolarHBondContact O-N 2.87Å |
| 1312 | M | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.5 | -30.2 | -174.4 | -67.6 | -52.3 | -54.3 | 0 | 0 | 112.8 | V1289 I1292 I1293 F1308 H1309 F1314 L1315 I1316 F1350 | V1289-M1312 HydrophobicContact CG1-CE 4.24Å; I1292-M1312 HydrophobicContact CG2-SD 4.23Å; I1293-M1312 HydrophobicContact CD1-CE 3.89Å; I1293-M1312 HydrophobicContact CG1-CE 3.7Å; I1293-M1312 HydrophobicContact CG1-SD 4.01Å; F1308-M1312 HydrophobicContact CD1-CG 4.23Å; F1308-M1312 HydrophobicContact CD2-CG 4.27Å; F1308-M1312 HydrophobicContact CE1-CG 3.77Å; F1308-M1312 HydrophobicContact CE2-CG 3.85Å; F1308-M1312 HydrophobicContact CE2-SD 4.41Å; F1308-M1312 HydrophobicContact CG-CG 4.45Å; F1308-M1312 HydrophobicContact CZ-CG 3.56Å; F1308-M1312 HydrophobicContact CZ-SD 4.41Å; F1308-M1312 WeakPolarHBondContact O-CB 3.46Å; F1308-M1312 WeakPolarHBondContact O-CG 3.33Å; F1308-M1312 PolarHBondContact O-N 3.25Å; H1309-M1312 PolarHBondContact O-N 3.2Å; M1312-F1314 VanDerWaalsContact C-N 3.26Å; M1312-F1314 PolarHBondContact O-N 2.88Å; M1312-L1315 PolarHBondContact O-N 3.48Å; M1312-L1315 HydrophobicContact SD-CD1 4.49Å; M1312-I1316 HydrophobicContact CB-CD1 4.25Å; M1312-I1316 HydrophobicContact CE-CD1 3.65Å; M1312-I1316 HydrophobicContact CE-CG1 3.7Å; M1312-I1316 WeakPolarHBondContact O-CB 3.33Å; M1312-I1316 WeakPolarHBondContact O-CG1 3.4Å; M1312-I1316 PolarHBondContact O-N 3.34Å; M1312-F1350 HydrophobicContact CB-CD1 4.47Å; M1312-F1350 HydrophobicContact CB-CE1 4.23Å |
| 1313 | E | 91.3 | Very high | 88.6 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -31.1 | 173.5 | -173.7 | 166.8 | -151.3 | 0 | 0 | 111.8 | H1309 P1317 F1350 | H1309-E1313 WeakPolarHBondContact O-CB 3.34Å; H1309-E1313 PolarHBondContact O-N 3.29Å; E1313-P1317 WeakPolarHBondContact O-CD 3.41Å; E1313-P1317 WeakPolarHBondContact O-CG 3.35Å; E1313-F1350 HydrophobicContact CB-CZ 4.43Å |
| 1314 | F | 92.6 | Very high | 88.7 | Confident | 40 Ų | 40 | 61 Ų | 61 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.7 | -45.8 | 171 | 174.4 | -104.9 | 0 | 0 | 0 | 113.2 | L1260 R1272 F1275 S1310 I1311 M1312 L1318 | L1260-F1314 HydrophobicContact CD1-CD1 3.84Å; L1260-F1314 HydrophobicContact CD1-CE1 4.39Å; L1260-F1314 HydrophobicContact CD2-CD1 3.76Å; L1260-F1314 HydrophobicContact CD2-CE1 3.74Å; L1260-F1314 HydrophobicContact CG-CD1 4.46Å; R1272-F1314 HydrophobicContact CB-CE1 4.19Å; R1272-F1314 HydrophobicContact CB-CE2 4.09Å; R1272-F1314 HydrophobicContact CB-CZ 3.6Å; R1272-F1314 HydrophobicContact CG-CD2 4.4Å; R1272-F1314 HydrophobicContact CG-CE1 4.04Å; R1272-F1314 HydrophobicContact CG-CE2 3.88Å; R1272-F1314 HydrophobicContact CG-CZ 3.68Å; R1272-F1314 VanDerWaalsContact NH1-CD2 3.29Å; F1275-F1314 HydrophobicContact CB-CE1 3.96Å; S1310-F1314 PolarHBondContact O-N 2.94Å; I1311-F1314 PolarHBondContact O-N 2.86Å; M1312-F1314 VanDerWaalsContact C-N 3.26Å; M1312-F1314 PolarHBondContact O-N 2.88Å; F1314-L1318 HydrophobicContact CD1-CD1 4.34Å; F1314-L1318 HydrophobicContact CE1-CD1 3.76Å; F1314-L1318 HydrophobicContact CE2-CD1 4.41Å; F1314-L1318 HydrophobicContact CZ-CD1 3.79Å |
| 1315 | L | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.2 | -34.6 | -170.8 | -68.7 | 177.1 | 0 | 0 | 0 | 114.5 | T1257 L1260 F1275 L1285 I1292 I1311 M1312 L1318 | T1257-L1315 HydrophobicContact CG2-CD1 3.72Å; L1260-L1315 HydrophobicContact CD1-CD1 4.44Å; L1260-L1315 HydrophobicContact CD1-CD2 4.12Å; L1260-L1315 HydrophobicContact CD1-CG 4.16Å; F1275-L1315 HydrophobicContact CB-CD2 3.74Å; F1275-L1315 HydrophobicContact CD1-CD2 3.66Å; F1275-L1315 HydrophobicContact CD2-CD2 3.98Å; F1275-L1315 HydrophobicContact CE1-CD2 4.3Å; F1275-L1315 HydrophobicContact CG-CD2 3.5Å; L1285-L1315 HydrophobicContact CD1-CD2 4.32Å; I1292-L1315 HydrophobicContact CD1-CD1 4.32Å; I1292-L1315 HydrophobicContact CG2-CD1 4.4Å; I1311-L1315 HydrophobicContact CG2-CD1 3.67Å; I1311-L1315 HydrophobicContact CG2-CG 4.34Å; I1311-L1315 WeakPolarHBondContact O-CG 3.42Å; I1311-L1315 PolarHBondContact O-N 2.87Å; M1312-L1315 PolarHBondContact O-N 3.48Å; M1312-L1315 HydrophobicContact SD-CD1 4.49Å; L1315-L1318 PolarHBondContact O-N 3.44Å |
| 1316 | I | 91 | Very high | 88.7 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -46.6 | -175.1 | -72.3 | 169.7 | 0 | 0 | 0 | 112 | M1312 L1318 I1319 C1351 A1354 M1355 | M1312-I1316 HydrophobicContact CB-CD1 4.25Å; M1312-I1316 HydrophobicContact CE-CD1 3.65Å; M1312-I1316 HydrophobicContact CE-CG1 3.7Å; M1312-I1316 WeakPolarHBondContact O-CB 3.33Å; M1312-I1316 WeakPolarHBondContact O-CG1 3.4Å; M1312-I1316 PolarHBondContact O-N 3.34Å; I1316-L1318 PolarHBondContact O-N 3.5Å; I1316-I1319 PolarHBondContact O-N 2.88Å; I1316-C1351 HydrophobicContact CD1-CB 3.77Å; I1316-C1351 WeakPolarHBondContact CD1-O 3.14Å; I1316-A1354 HydrophobicContact CB-CB 4.39Å; I1316-A1354 HydrophobicContact CD1-CB 3.95Å; I1316-A1354 HydrophobicContact CG2-CB 4.28Å; I1316-M1355 HydrophobicContact CG2-CB 4.36Å; I1316-M1355 HydrophobicContact CG2-CG 3.53Å |
| 1317 | P | 88.8 | Confident | 88.8 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | 177.4 | -28.3 | 37.8 | 0 | 0 | 0 | 114.5 | E1313 I1319 | E1313-P1317 WeakPolarHBondContact O-CD 3.41Å; E1313-P1317 WeakPolarHBondContact O-CG 3.35Å; P1317-I1319 PolarHBondContact O-N 2.72Å |
| 1318 | L | 88.5 | Confident | 88.7 | Confident | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.6 | 175.9 | -64.1 | 177 | 0 | 0 | 0 | 113.4 | F1275 L1285 F1314 L1315 I1316 V1320 | F1275-L1318 HydrophobicContact CB-CD1 4.22Å; L1285-L1318 HydrophobicContact CD2-CB 3.74Å; L1285-L1318 HydrophobicContact CD2-CD1 4.33Å; F1314-L1318 HydrophobicContact CD1-CD1 4.34Å; F1314-L1318 HydrophobicContact CE1-CD1 3.76Å; F1314-L1318 HydrophobicContact CE2-CD1 4.41Å; F1314-L1318 HydrophobicContact CZ-CD1 3.79Å; L1315-L1318 PolarHBondContact O-N 3.44Å; I1316-L1318 PolarHBondContact O-N 3.5Å; L1318-V1320 PolarHBondContact O-N 2.75Å |
| 1319 | I | 86.6 | Confident | 88.7 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | trans | -87 | 86.8 | 176.5 | -51.1 | 174.2 | 0 | 0 | 0 | 108.9 | L1285 V1289 I1316 P1317 L1324 C1325 L1328 | L1285-I1319 HydrophobicContact CD2-CG1 4.09Å; L1285-I1319 HydrophobicContact CG-CG1 4.33Å; V1289-I1319 HydrophobicContact CG2-CD1 3.85Å; I1316-I1319 PolarHBondContact O-N 2.88Å; P1317-I1319 PolarHBondContact O-N 2.72Å; I1319-L1324 HydrophobicContact CG2-CB 4.03Å; I1319-C1325 PolarHBondContact O-SG 3.13Å; I1319-L1328 HydrophobicContact CD1-CD2 3.68Å | ||
| 1320 | V | 81.3 | Confident | 88.7 | Confident | 128 Ų | 128 | 51.8 Ų | 51.8 | 78% | 0.776 | 26% | 0.257 | S | S | * | . | trans | -80.4 | -32.3 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 113.4 | L1318 E1322 | L1318-V1320 PolarHBondContact O-N 2.75Å; V1320-E1322 PolarHBondContact O-N 3.41Å; V1320-E1322 VanDerWaalsContact O-N 3.1Å | ||
| 1321 | K | 84.1 | Confident | 88.6 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 50% | 0.496 | 26% | 0.26 | S | S | . | . | trans | -67.6 | 111.1 | -172.9 | -72.7 | 173.5 | -178.2 | 164.1 | 0 | 111.5 | G1282 N1283 R1323 L1324 C1325 | G1282-K1321 PolarHBondContact O-NZ 3.45Å; N1283-K1321 PolarHBondContact OD1-NZ 2.68Å; K1321-R1323 VanDerWaalsContact C-N 3.28Å; K1321-R1323 PolarHBondContact O-N 3.34Å; K1321-R1323 VanDerWaalsContact O-N 3.1Å; K1321-L1324 HydrophobicContact CB-CB 4.27Å; K1321-L1324 HydrophobicContact CB-CD1 3.94Å; K1321-L1324 HydrophobicContact CB-CG 3.92Å; K1321-L1324 HydrophobicContact CD-CD1 3.87Å; K1321-L1324 HydrophobicContact CD-CG 4.38Å; K1321-L1324 HydrophobicContact CG-CD1 4.48Å; K1321-L1324 WeakPolarHBondContact O-CA 3.42Å; K1321-L1324 WeakPolarHBondContact O-CB 3.36Å; K1321-L1324 PolarHBondContact O-N 2.91Å; K1321-C1325 PolarHBondContact O-N 3.04Å; K1321-C1325 VanDerWaalsContact O-N 3.14Å; K1321-C1325 PolarHBondContact O-SG 3.46Å; K1321-C1325 VanDerWaalsContact O-SG 3.42Å | ||
| 1322 | E | 81.5 | Confident | 88.5 | Confident | 84 Ų | 84 | 54 Ų | 54 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.6 | -40.6 | -176.7 | -163.8 | -170.6 | 175.6 | 0 | 0 | 114.1 | V1320 L1324 C1325 E1326 S1358 | V1320-E1322 PolarHBondContact O-N 3.41Å; V1320-E1322 VanDerWaalsContact O-N 3.1Å; E1322-L1324 VanDerWaalsContact C-N 3.33Å; E1322-L1324 PolarHBondContact O-N 3.49Å; E1322-C1325 WeakPolarHBondContact O-CB 3.07Å; E1322-C1325 PolarHBondContact O-N 3.39Å; E1322-E1326 PolarHBondContact O-N 3.32Å; E1322-S1358 WeakPolarHBondContact OE1-CB 3.37Å; E1322-S1358 PolarHBondContact OE1-OG 3.25Å |
| 1323 | R | 85.5 | Confident | 88.4 | Confident | 201 Ų | 201 | 54 Ų | 54 | 76% | 0.758 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -37.4 | 176.2 | -69.7 | -174.9 | -177.1 | 168.3 | 1.3 | 112.8 | K1321 T1327 | K1321-R1323 VanDerWaalsContact C-N 3.28Å; K1321-R1323 PolarHBondContact O-N 3.34Å; K1321-R1323 VanDerWaalsContact O-N 3.1Å; R1323-T1327 WeakPolarHBondContact O-CG2 3.37Å; R1323-T1327 PolarHBondContact O-N 3.13Å; R1323-T1327 PolarHBondContact O-OG1 3.4Å |
| 1324 | L | 86 | Confident | 88.3 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.141 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 176.7 | -62.8 | -177.1 | 0 | 0 | 0 | 110.2 | N1283 Y1286 I1319 K1321 E1322 E1326 T1327 L1328 | N1283-L1324 HydrophobicContact CB-CD1 4.36Å; N1283-L1324 WeakPolarHBondContact OD1-CD1 3.37Å; Y1286-L1324 HydrophobicContact CD1-CD2 4.17Å; Y1286-L1324 HydrophobicContact CD2-CB 3.97Å; Y1286-L1324 HydrophobicContact CD2-CD2 4.44Å; Y1286-L1324 HydrophobicContact CE1-CD2 4.38Å; Y1286-L1324 HydrophobicContact CE2-CB 4.39Å; Y1286-L1324 WeakPolarHBondContact CE2-O 3.43Å; Y1286-L1324 HydrophobicContact CG-CB 4.33Å; Y1286-L1324 HydrophobicContact CG-CD1 4.39Å; Y1286-L1324 HydrophobicContact CG-CD2 4.2Å; I1319-L1324 HydrophobicContact CG2-CB 4.03Å; K1321-L1324 HydrophobicContact CB-CB 4.27Å; K1321-L1324 HydrophobicContact CB-CD1 3.94Å; K1321-L1324 HydrophobicContact CB-CG 3.92Å; K1321-L1324 HydrophobicContact CD-CD1 3.87Å; K1321-L1324 HydrophobicContact CD-CG 4.38Å; K1321-L1324 HydrophobicContact CG-CD1 4.48Å; K1321-L1324 WeakPolarHBondContact O-CA 3.42Å; K1321-L1324 WeakPolarHBondContact O-CB 3.36Å; K1321-L1324 PolarHBondContact O-N 2.91Å; E1322-L1324 VanDerWaalsContact C-N 3.33Å; E1322-L1324 PolarHBondContact O-N 3.49Å; L1324-E1326 VanDerWaalsContact C-N 3.31Å; L1324-E1326 PolarHBondContact O-N 3.42Å; L1324-T1327 PolarHBondContact O-N 2.82Å; L1324-T1327 PolarHBondContact O-OG1 2.91Å; L1324-L1328 WeakPolarHBondContact O-CB 3.32Å; L1324-L1328 PolarHBondContact O-N 3.44Å |
| 1325 | C | 86.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | I1319 K1321 E1322 L1328 V1329 M1361 | I1319-C1325 PolarHBondContact O-SG 3.13Å; K1321-C1325 PolarHBondContact O-N 3.04Å; K1321-C1325 VanDerWaalsContact O-N 3.14Å; K1321-C1325 PolarHBondContact O-SG 3.46Å; K1321-C1325 VanDerWaalsContact O-SG 3.42Å; E1322-C1325 WeakPolarHBondContact O-CB 3.07Å; E1322-C1325 PolarHBondContact O-N 3.39Å; C1325-L1328 WeakPolarHBondContact O-CB 3.4Å; C1325-L1328 PolarHBondContact O-N 3.4Å; C1325-V1329 VanDerWaalsContact O-CG2 3.32Å; C1325-V1329 WeakPolarHBondContact O-CG2 3.1Å; C1325-V1329 PolarHBondContact O-N 2.82Å; C1325-M1361 HydrophobicContact CB-CE 3.59Å; C1325-M1361 HydrophobicContact CB-CG 4.49Å; C1325-M1361 HydrophobicContact CB-SD 3.61Å |
| 1326 | E | 87.8 | Confident | 88.2 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.1 | -51.6 | 175.3 | -173.8 | 177.3 | -178.1 | 0 | 0 | 112 | E1322 L1324 L1328 V1329 E1330 M1361 V1364 | E1322-E1326 PolarHBondContact O-N 3.32Å; L1324-E1326 VanDerWaalsContact C-N 3.31Å; L1324-E1326 PolarHBondContact O-N 3.42Å; E1326-L1328 VanDerWaalsContact C-N 3.27Å; E1326-L1328 PolarHBondContact O-N 2.99Å; E1326-V1329 WeakPolarHBondContact O-CB 3.45Å; E1326-V1329 PolarHBondContact O-N 3.46Å; E1326-E1330 PolarHBondContact O-N 3.47Å; E1326-M1361 HydrophobicContact CB-CG 4.41Å; E1326-V1364 HydrophobicContact CG-CB 4.36Å; E1326-V1364 HydrophobicContact CG-CG2 3.57Å; E1326-V1364 WeakPolarHBondContact OE1-CG2 3.33Å |
| 1327 | T | 89.2 | Confident | 88.1 | Confident | 49 Ų | 49 | 58 Ų | 58 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.5 | -27.3 | 178 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | Y1286 R1323 L1324 K1331 | Y1286-T1327 WeakPolarHBondContact CE2-OG1 3.38Å; Y1286-T1327 WeakPolarHBondContact OH-CB 3.36Å; Y1286-T1327 PolarHBondContact OH-OG1 3.43Å; R1323-T1327 WeakPolarHBondContact O-CG2 3.37Å; R1323-T1327 PolarHBondContact O-N 3.13Å; R1323-T1327 PolarHBondContact O-OG1 3.4Å; L1324-T1327 PolarHBondContact O-N 2.82Å; L1324-T1327 PolarHBondContact O-OG1 2.91Å; T1327-K1331 WeakPolarHBondContact O-CB 3.43Å; T1327-K1331 WeakPolarHBondContact O-CG 3.44Å; T1327-K1331 PolarHBondContact O-N 2.91Å |
| 1328 | L | 89.7 | Confident | 88 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -44 | 175.8 | -172.1 | 61 | 0 | 0 | 0 | 110.6 | Y1286 V1289 P1290 I1319 L1324 C1325 E1326 E1330 K1331 L1332 M1355 | Y1286-L1328 HydrophobicContact CD2-CB 4.26Å; Y1286-L1328 HydrophobicContact CD2-CD1 4.4Å; Y1286-L1328 HydrophobicContact CE2-CB 3.94Å; Y1286-L1328 HydrophobicContact CE2-CD1 4.31Å; V1289-L1328 HydrophobicContact CG1-CD1 4.07Å; V1289-L1328 HydrophobicContact CG1-CD2 4.29Å; P1290-L1328 HydrophobicContact CG-CD1 4.5Å; I1319-L1328 HydrophobicContact CD1-CD2 3.68Å; L1324-L1328 WeakPolarHBondContact O-CB 3.32Å; L1324-L1328 PolarHBondContact O-N 3.44Å; C1325-L1328 WeakPolarHBondContact O-CB 3.4Å; C1325-L1328 PolarHBondContact O-N 3.4Å; E1326-L1328 VanDerWaalsContact C-N 3.27Å; E1326-L1328 PolarHBondContact O-N 2.99Å; L1328-E1330 VanDerWaalsContact C-N 3.28Å; L1328-E1330 PolarHBondContact O-N 3.44Å; L1328-K1331 PolarHBondContact O-N 3.37Å; L1328-L1332 HydrophobicContact CD1-CG 4.45Å; L1328-L1332 HydrophobicContact CG-CD1 4.2Å; L1328-L1332 HydrophobicContact CG-CG 4.41Å; L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 VanDerWaalsContact O-CG 3.28Å; L1328-L1332 WeakPolarHBondContact O-CG 3Å; L1328-L1332 PolarHBondContact O-N 3.37Å; L1328-M1355 HydrophobicContact CD2-SD 4.35Å |
| 1329 | V | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.3 | -48.5 | 171.9 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | C1325 E1326 K1331 L1332 C1333 L1352 M1355 F1357 M1361 V1364 L1365 | C1325-V1329 VanDerWaalsContact O-CG2 3.32Å; C1325-V1329 WeakPolarHBondContact O-CG2 3.1Å; C1325-V1329 PolarHBondContact O-N 2.82Å; E1326-V1329 WeakPolarHBondContact O-CB 3.45Å; E1326-V1329 PolarHBondContact O-N 3.46Å; V1329-K1331 PolarHBondContact O-N 2.92Å; V1329-L1332 PolarHBondContact O-N 2.94Å; V1329-C1333 WeakPolarHBondContact O-CB 3.42Å; V1329-C1333 PolarHBondContact O-N 2.96Å; V1329-C1333 PolarHBondContact O-SG 3.26Å; V1329-L1352 HydrophobicContact CG1-CD2 4.37Å; V1329-M1355 HydrophobicContact CB-CE 4.31Å; V1329-M1355 HydrophobicContact CG2-CE 3.39Å; V1329-M1355 HydrophobicContact CG2-SD 3.68Å; V1329-F1357 HydrophobicContact CG2-CE1 4.37Å; V1329-M1361 HydrophobicContact CG2-CB 4.42Å; V1329-M1361 HydrophobicContact CG2-CE 3.83Å; V1329-V1364 HydrophobicContact CG1-CG1 4.2Å; V1329-L1365 HydrophobicContact CG1-CB 4.2Å; V1329-L1365 HydrophobicContact CG1-CD1 3.92Å |
| 1330 | E | 90.9 | Very high | 87.8 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 179.2 | -170 | 179.5 | -172.6 | 0 | 0 | 112.2 | E1326 L1328 L1332 C1333 A1334 V1364 | E1326-E1330 PolarHBondContact O-N 3.47Å; L1328-E1330 VanDerWaalsContact C-N 3.28Å; L1328-E1330 PolarHBondContact O-N 3.44Å; E1330-L1332 PolarHBondContact O-N 3.39Å; E1330-C1333 PolarHBondContact O-N 2.8Å; E1330-A1334 WeakPolarHBondContact O-CB 3.47Å; E1330-A1334 PolarHBondContact O-N 3.46Å; E1330-V1364 HydrophobicContact CB-CG1 4Å |
| 1331 | K | 89.5 | Confident | 88.1 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177 | -77.4 | 177.3 | 174.9 | 175.6 | 0 | 112.8 | Y1286 T1327 L1328 V1329 A1334 R1335 | Y1286-K1331 VanDerWaalsContact OH-CE 3.28Å; Y1286-K1331 WeakPolarHBondContact OH-CE 3.16Å; Y1286-K1331 PolarHBondContact OH-NZ 3.16Å; T1327-K1331 WeakPolarHBondContact O-CB 3.43Å; T1327-K1331 WeakPolarHBondContact O-CG 3.44Å; T1327-K1331 PolarHBondContact O-N 2.91Å; L1328-K1331 PolarHBondContact O-N 3.37Å; V1329-K1331 PolarHBondContact O-N 2.92Å; K1331-A1334 PolarHBondContact O-N 2.97Å; K1331-R1335 WeakPolarHBondContact O-CG 3.17Å; K1331-R1335 PolarHBondContact O-N 3.12Å; K1331-R1335 VanDerWaalsContact O-N 3.07Å |
| 1332 | L | 91 | Very high | 88.3 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 175.8 | -68.6 | 177 | 0 | 0 | 0 | 111.2 | I1293 L1328 V1329 E1330 A1334 R1335 F1336 L1348 C1351 L1352 M1355 | I1293-L1332 HydrophobicContact CD1-CD2 3.52Å; L1328-L1332 HydrophobicContact CD1-CG 4.45Å; L1328-L1332 HydrophobicContact CG-CD1 4.2Å; L1328-L1332 HydrophobicContact CG-CG 4.41Å; L1328-L1332 WeakPolarHBondContact O-CB 3.14Å; L1328-L1332 VanDerWaalsContact O-CG 3.28Å; L1328-L1332 WeakPolarHBondContact O-CG 3Å; L1328-L1332 PolarHBondContact O-N 3.37Å; V1329-L1332 PolarHBondContact O-N 2.94Å; E1330-L1332 PolarHBondContact O-N 3.39Å; L1332-A1334 PolarHBondContact O-N 3.11Å; L1332-R1335 WeakPolarHBondContact O-CB 3.25Å; L1332-R1335 PolarHBondContact O-N 3.46Å; L1332-R1335 VanDerWaalsContact O-N 3.15Å; L1332-F1336 WeakPolarHBondContact O-CD2 3.43Å; L1332-F1336 PolarHBondContact O-N 2.95Å; L1332-L1348 HydrophobicContact CD2-CD2 3.8Å; L1332-C1351 HydrophobicContact CD1-CB 4.17Å; L1332-L1352 HydrophobicContact CB-CD2 4Å; L1332-L1352 HydrophobicContact CD1-CD2 3.97Å; L1332-M1355 HydrophobicContact CD1-CE 3.86Å |
| 1333 | C | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 173.5 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | V1329 E1330 R1335 F1336 N1368 A1371 | V1329-C1333 WeakPolarHBondContact O-CB 3.42Å; V1329-C1333 PolarHBondContact O-N 2.96Å; V1329-C1333 PolarHBondContact O-SG 3.26Å; E1330-C1333 PolarHBondContact O-N 2.8Å; C1333-R1335 PolarHBondContact O-N 3.49Å; C1333-F1336 WeakPolarHBondContact O-CB 3.31Å; C1333-F1336 PolarHBondContact O-N 2.99Å; C1333-N1368 HydrophobicContact CB-CB 3.66Å; C1333-A1371 HydrophobicContact CB-CB 4.43Å; C1333-A1371 WeakPolarHBondContact O-CB 3.44Å |
| 1334 | A | 89.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 37% | 0.372 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1330 K1331 L1332 F1336 R1337 | E1330-A1334 WeakPolarHBondContact O-CB 3.47Å; E1330-A1334 PolarHBondContact O-N 3.46Å; K1331-A1334 PolarHBondContact O-N 2.97Å; L1332-A1334 PolarHBondContact O-N 3.11Å; A1334-F1336 PolarHBondContact O-N 3.21Å; A1334-R1337 WeakPolarHBondContact O-CB 3.47Å; A1334-R1337 PolarHBondContact O-N 3.19Å |
| 1335 | R | 89.5 | Confident | 89.2 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -31.2 | 178.1 | -85.2 | 176.7 | 163.9 | -140 | -5.7 | 114.3 | P1290 S1294 K1331 L1332 C1333 R1337 T1338 T1339 L1348 | P1290-R1335 VanDerWaalsContact CB-NH2 3.31Å; P1290-R1335 PolarHBondContact O-NH1 2.75Å; P1290-R1335 PolarHBondContact O-NH2 3.21Å; S1294-R1335 PolarHBondContact OG-NH1 2.89Å; S1294-R1335 PolarHBondContact OG-NH2 3.11Å; K1331-R1335 WeakPolarHBondContact O-CG 3.17Å; K1331-R1335 PolarHBondContact O-N 3.12Å; K1331-R1335 VanDerWaalsContact O-N 3.07Å; L1332-R1335 WeakPolarHBondContact O-CB 3.25Å; L1332-R1335 PolarHBondContact O-N 3.46Å; L1332-R1335 VanDerWaalsContact O-N 3.15Å; C1333-R1335 PolarHBondContact O-N 3.49Å; R1335-R1337 PolarHBondContact O-N 2.7Å; R1335-R1337 VanDerWaalsContact O-N 3.14Å; R1335-T1338 PolarHBondContact O-N 3.19Å; R1335-T1338 PolarHBondContact O-OG1 2.86Å; R1335-T1339 PolarHBondContact O-N 3.33Å; R1335-T1339 VanDerWaalsContact O-N 3.1Å; R1335-T1339 PolarHBondContact O-OG1 3.46Å; R1335-L1348 HydrophobicContact CB-CD1 4.17Å; R1335-L1348 HydrophobicContact CB-CD2 4.18Å |
| 1336 | F | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.1 | -30.4 | 172.9 | -83.4 | -84.5 | 0 | 0 | 0 | 112.7 | L1332 C1333 A1334 T1338 W1345 L1348 L1352 A1371 F1372 K1375 | L1332-F1336 WeakPolarHBondContact O-CD2 3.43Å; L1332-F1336 PolarHBondContact O-N 2.95Å; C1333-F1336 WeakPolarHBondContact O-CB 3.31Å; C1333-F1336 PolarHBondContact O-N 2.99Å; A1334-F1336 PolarHBondContact O-N 3.21Å; F1336-T1338 VanDerWaalsContact C-N 3.3Å; F1336-T1338 PolarHBondContact O-N 2.98Å; F1336-W1345 HydrophobicContact CD1-CB 4.45Å; F1336-W1345 HydrophobicContact CE1-CB 4.09Å; F1336-L1348 HydrophobicContact CD1-CD1 4.18Å; F1336-L1348 HydrophobicContact CD2-CB 4.25Å; F1336-L1348 HydrophobicContact CD2-CD1 4.11Å; F1336-L1348 HydrophobicContact CE1-CB 3.96Å; F1336-L1348 HydrophobicContact CE1-CD1 4.36Å; F1336-L1348 HydrophobicContact CE2-CB 3.59Å; F1336-L1348 HydrophobicContact CE2-CD1 4.28Å; F1336-L1348 HydrophobicContact CG-CD1 4.07Å; F1336-L1348 HydrophobicContact CZ-CB 3.43Å; F1336-L1348 VanDerWaalsContact CZ-CB 3.43Å; F1336-L1348 HydrophobicContact CZ-CD1 4.42Å; F1336-L1352 HydrophobicContact CE2-CD1 3.81Å; F1336-L1352 HydrophobicContact CZ-CD1 4.4Å; F1336-A1371 WeakPolarHBondContact CB-O 3.34Å; F1336-F1372 HydrophobicContact CB-CB 4.16Å; F1336-F1372 HydrophobicContact CD1-CB 4.04Å; F1336-F1372 HydrophobicContact CD2-CB 4.08Å; F1336-F1372 HydrophobicContact CE1-CB 4.42Å; F1336-F1372 HydrophobicContact CE2-CB 4.45Å; F1336-F1372 HydrophobicContact CG-CB 3.84Å; F1336-K1375 HydrophobicContact CD1-CG 4.15Å |
| 1337 | R | 88.5 | Confident | 89.5 | Confident | 165 Ų | 165 | 52 Ų | 52 | 62% | 0.623 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26.9 | 176.4 | -59.6 | -178.4 | 179.1 | 159.8 | 4.5 | 113.2 | A1334 R1335 A1371 | A1334-R1337 WeakPolarHBondContact O-CB 3.47Å; A1334-R1337 PolarHBondContact O-N 3.19Å; R1335-R1337 PolarHBondContact O-N 2.7Å; R1335-R1337 VanDerWaalsContact O-N 3.14Å; R1337-A1371 HydrophobicContact CG-CB 4.05Å |
| 1338 | T | 86.6 | Confident | 89.7 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 67% | 0.669 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -19 | -175.2 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | R1335 F1336 | R1335-T1338 PolarHBondContact O-N 3.19Å; R1335-T1338 PolarHBondContact O-OG1 2.86Å; F1336-T1338 VanDerWaalsContact C-N 3.3Å; F1336-T1338 PolarHBondContact O-N 2.98Å |
| 1339 | T | 87.6 | Confident | 89.9 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | trans | -90.6 | 135.1 | -179.4 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | R1335 Q1344 W1345 L1348 | R1335-T1339 PolarHBondContact O-N 3.33Å; R1335-T1339 VanDerWaalsContact O-N 3.1Å; R1335-T1339 PolarHBondContact O-OG1 3.46Å; T1339-Q1344 HydrophobicContact CG2-CB 3.96Å; T1339-Q1344 HydrophobicContact CG2-CG 4.48Å; T1339-W1345 PolarHBondContact O-NE1 3.43Å; T1339-W1345 PolarHBondContact OG1-NE1 3.05Å; T1339-L1348 HydrophobicContact CG2-CD1 4.11Å | ||
| 1340 | T | 85.1 | Confident | 90 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 72% | 0.718 | 25% | 0.254 | S | S | * | . | trans | -111.7 | -12.7 | -179.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | W1345 | T1340-W1345 WeakPolarHBondContact O-CZ2 3.29Š| ||
| 1341 | L | 87.4 | Confident | 90.1 | Very high | 76 Ų | 76 | 47 Ų | 47 | 40% | 0.398 | 23% | 0.231 | S | C | . | . | trans | -92.3 | 134.7 | -177 | -65.9 | 171.4 | 0 | 0 | 0 | 110.5 | P1299 R1343 Q1344 W1345 | P1299-L1341 HydrophobicContact CG-CD1 3.96Å; L1341-R1343 VanDerWaalsContact C-N 3.26Å; L1341-R1343 PolarHBondContact O-N 2.92Å; L1341-Q1344 HydrophobicContact CB-CB 4.42Å; L1341-Q1344 HydrophobicContact CB-CG 4.05Å; L1341-Q1344 WeakPolarHBondContact O-CB 3.17Å; L1341-Q1344 PolarHBondContact O-N 2.76Å; L1341-Q1344 VanDerWaalsContact O-N 3.07Å; L1341-W1345 PolarHBondContact O-N 2.66Å | ||
| 1342 | E | 87.8 | Confident | 90.2 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.2 | -36.7 | 178 | -171.5 | 177.3 | 162.6 | 0 | 0 | 112.6 | Q1344 W1345 R1346 V1378 | E1342-Q1344 PolarHBondContact O-N 3.44Å; E1342-W1345 HydrophobicContact CB-CE3 4.12Å; E1342-W1345 HydrophobicContact CB-CZ3 4.3Å; E1342-W1345 HydrophobicContact CG-CE3 4.22Å; E1342-W1345 WeakPolarHBondContact O-CB 3.42Å; E1342-W1345 PolarHBondContact O-N 3.17Å; E1342-W1345 VanDerWaalsContact O-N 3.16Å; E1342-R1346 PolarHBondContact O-N 3.26Å; E1342-V1378 HydrophobicContact CG-CG1 4.2Å; E1342-V1378 HydrophobicContact CG-CG2 4.04Å |
| 1343 | R | 88.7 | Confident | 90.2 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 15% | 0.151 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 173.2 | 177.1 | 157 | -176.3 | -116.7 | -1.1 | 112.4 | S1297 V1303 L1341 W1345 R1346 D1347 | S1297-R1343 PolarHBondContact O-NH1 3.35Å; V1303-R1343 PolarHBondContact O-NH1 3.26Å; V1303-R1343 PolarHBondContact O-NH2 3.38Å; L1341-R1343 VanDerWaalsContact C-N 3.26Å; L1341-R1343 PolarHBondContact O-N 2.92Å; R1343-W1345 PolarHBondContact O-N 3.06Å; R1343-R1346 PolarHBondContact O-N 3.19Å; R1343-D1347 IonicContact NE-OD2 2.74Å; R1343-D1347 VanDerWaalsContact O-CG 3.28Å; R1343-D1347 PolarHBondContact O-N 3.49Å |
| 1344 | Q | 90 | Very high | 90.1 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -32 | 178.9 | -65.2 | 175.7 | -34.9 | 0 | 0 | 111.9 | T1339 L1341 E1342 L1348 | T1339-Q1344 HydrophobicContact CG2-CB 3.96Å; T1339-Q1344 HydrophobicContact CG2-CG 4.48Å; L1341-Q1344 HydrophobicContact CB-CB 4.42Å; L1341-Q1344 HydrophobicContact CB-CG 4.05Å; L1341-Q1344 WeakPolarHBondContact O-CB 3.17Å; L1341-Q1344 PolarHBondContact O-N 2.76Å; L1341-Q1344 VanDerWaalsContact O-N 3.07Å; E1342-Q1344 PolarHBondContact O-N 3.44Å; Q1344-L1348 VanDerWaalsContact O-CB 3.32Å; Q1344-L1348 WeakPolarHBondContact O-CB 3.29Å; Q1344-L1348 WeakPolarHBondContact O-CD1 3.33Å; Q1344-L1348 WeakPolarHBondContact O-CG 3.43Å; Q1344-L1348 PolarHBondContact O-N 3.23Å |
| 1345 | W | 92.2 | Very high | 90 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 175.1 | -54.8 | -25.6 | 0 | 0 | 0 | 111.7 | F1336 T1339 T1340 L1341 E1342 R1343 S1349 K1375 V1378 V1381 | F1336-W1345 HydrophobicContact CD1-CB 4.45Å; F1336-W1345 HydrophobicContact CE1-CB 4.09Å; T1339-W1345 PolarHBondContact O-NE1 3.43Å; T1339-W1345 PolarHBondContact OG1-NE1 3.05Å; T1340-W1345 WeakPolarHBondContact O-CZ2 3.29Å; L1341-W1345 PolarHBondContact O-N 2.66Å; E1342-W1345 HydrophobicContact CB-CE3 4.12Å; E1342-W1345 HydrophobicContact CB-CZ3 4.3Å; E1342-W1345 HydrophobicContact CG-CE3 4.22Å; E1342-W1345 WeakPolarHBondContact O-CB 3.42Å; E1342-W1345 PolarHBondContact O-N 3.17Å; E1342-W1345 VanDerWaalsContact O-N 3.16Å; R1343-W1345 PolarHBondContact O-N 3.06Å; W1345-S1349 WeakPolarHBondContact O-CB 3.4Å; W1345-S1349 PolarHBondContact O-N 2.89Å; W1345-S1349 PolarHBondContact O-OG 2.84Å; W1345-K1375 HydrophobicContact CD2-CB 4.43Å; W1345-K1375 HydrophobicContact CD2-CD 3.75Å; W1345-K1375 HydrophobicContact CD2-CG 4.17Å; W1345-K1375 HydrophobicContact CE3-CB 4.48Å; W1345-K1375 HydrophobicContact CE3-CD 3.96Å; W1345-K1375 HydrophobicContact CG-CD 4.37Å; W1345-K1375 HydrophobicContact CG-CG 4.31Å; W1345-K1375 HydrophobicContact CH2-CD 3.96Å; W1345-K1375 HydrophobicContact CZ2-CD 3.71Å; W1345-K1375 HydrophobicContact CZ3-CD 4.08Å; W1345-V1378 HydrophobicContact CE3-CG2 4.1Å; W1345-V1378 HydrophobicContact CZ3-CG2 4.41Å; W1345-V1381 HydrophobicContact CB-CG2 4.11Å |
| 1346 | R | 91.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -49.1 | 175 | -68.3 | -172.4 | -70.1 | 133.9 | 6.7 | 111 | E1305 E1342 R1343 L1348 S1349 F1350 V1378 E1380 V1381 | E1305-R1346 IonicContact OE1-CZ 2.63Å; E1305-R1346 IonicContact OE1-NH1 2.71Å; E1305-R1346 PolarHBondContact OE1-NH1 3.02Å; E1305-R1346 IonicContact OE2-CZ 3.11Å; E1305-R1346 VanDerWaalsContact OE2-CZ 3.3Å; E1305-R1346 IonicContact OE2-NH1 3.8Å; E1305-R1346 PolarHBondContact OE2-NH1 3.47Å; E1305-R1346 IonicContact OE2-NH2 2.7Å; E1305-R1346 PolarHBondContact OE2-NH2 3.38Å; E1305-R1346 VanDerWaalsContact OE2-NH2 3.14Å; E1342-R1346 PolarHBondContact O-N 3.26Å; R1343-R1346 PolarHBondContact O-N 3.19Å; R1346-L1348 PolarHBondContact O-N 3.22Å; R1346-S1349 WeakPolarHBondContact CA-OG 3.4Å; R1346-S1349 PolarHBondContact O-N 2.91Å; R1346-S1349 VanDerWaalsContact O-N 3.1Å; R1346-S1349 PolarHBondContact O-OG 3.3Å; R1346-F1350 PolarHBondContact O-N 3.44Å; R1346-V1378 HydrophobicContact CG-CG1 4.24Å; R1346-E1380 HydrophobicContact CG-CB 4.04Å; R1346-V1381 HydrophobicContact CG-CG2 4.23Å |
| 1347 | D | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 177 | -68.5 | -12.7 | 0 | 0 | 0 | 112.2 | S1297 F1308 R1343 S1349 F1350 C1351 | S1297-D1347 WeakPolarHBondContact CA-OD2 3.44Å; S1297-D1347 WeakPolarHBondContact CB-OD2 3.17Å; F1308-D1347 HydrophobicContact CD1-CB 4.02Å; F1308-D1347 HydrophobicContact CE1-CB 3.45Å; F1308-D1347 VanDerWaalsContact CE1-CB 3.45Å; F1308-D1347 HydrophobicContact CE2-CB 4.44Å; F1308-D1347 HydrophobicContact CZ-CB 3.69Å; R1343-D1347 IonicContact NE-OD2 2.74Å; R1343-D1347 VanDerWaalsContact O-CG 3.28Å; R1343-D1347 PolarHBondContact O-N 3.49Å; D1347-S1349 VanDerWaalsContact C-N 3.31Å; D1347-S1349 PolarHBondContact O-N 3.49Å; D1347-F1350 PolarHBondContact O-N 2.7Å; D1347-C1351 PolarHBondContact O-N 2.62Å; D1347-C1351 PolarHBondContact O-SG 2.82Å |
| 1348 | L | 92.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 176.1 | -74 | 170.2 | 0 | 0 | 0 | 112 | I1293 L1332 R1335 F1336 T1339 Q1344 R1346 C1351 L1352 | I1293-L1348 HydrophobicContact CG2-CD2 3.99Å; L1332-L1348 HydrophobicContact CD2-CD2 3.8Å; R1335-L1348 HydrophobicContact CB-CD1 4.17Å; R1335-L1348 HydrophobicContact CB-CD2 4.18Å; F1336-L1348 HydrophobicContact CD1-CD1 4.18Å; F1336-L1348 HydrophobicContact CD2-CB 4.25Å; F1336-L1348 HydrophobicContact CD2-CD1 4.11Å; F1336-L1348 HydrophobicContact CE1-CB 3.96Å; F1336-L1348 HydrophobicContact CE1-CD1 4.36Å; F1336-L1348 HydrophobicContact CE2-CB 3.59Å; F1336-L1348 HydrophobicContact CE2-CD1 4.28Å; F1336-L1348 HydrophobicContact CG-CD1 4.07Å; F1336-L1348 HydrophobicContact CZ-CB 3.43Å; F1336-L1348 VanDerWaalsContact CZ-CB 3.43Å; F1336-L1348 HydrophobicContact CZ-CD1 4.42Å; T1339-L1348 HydrophobicContact CG2-CD1 4.11Å; Q1344-L1348 VanDerWaalsContact O-CB 3.32Å; Q1344-L1348 WeakPolarHBondContact O-CB 3.29Å; Q1344-L1348 WeakPolarHBondContact O-CD1 3.33Å; Q1344-L1348 WeakPolarHBondContact O-CG 3.43Å; Q1344-L1348 PolarHBondContact O-N 3.23Å; R1346-L1348 PolarHBondContact O-N 3.22Å; L1348-C1351 PolarHBondContact O-N 2.64Å; L1348-L1352 WeakPolarHBondContact O-CG 3.29Å; L1348-L1352 PolarHBondContact O-N 3.19Å |
| 1349 | S | 93 | Very high | 89.1 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -36.4 | 177.9 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | W1345 R1346 D1347 L1352 N1353 | W1345-S1349 WeakPolarHBondContact O-CB 3.4Å; W1345-S1349 PolarHBondContact O-N 2.89Å; W1345-S1349 PolarHBondContact O-OG 2.84Å; R1346-S1349 WeakPolarHBondContact CA-OG 3.4Å; R1346-S1349 PolarHBondContact O-N 2.91Å; R1346-S1349 VanDerWaalsContact O-N 3.1Å; R1346-S1349 PolarHBondContact O-OG 3.3Å; D1347-S1349 VanDerWaalsContact C-N 3.31Å; D1347-S1349 PolarHBondContact O-N 3.49Å; S1349-L1352 PolarHBondContact O-N 2.7Å; S1349-N1353 PolarHBondContact O-N 3.41Å |
| 1350 | F | 92.9 | Very high | 88.9 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 172.6 | 179.4 | -91.7 | 0 | 0 | 0 | 111.4 | H1309 M1312 E1313 R1346 D1347 L1352 N1353 A1354 | H1309-F1350 HydrophobicContact CB-CD1 4.37Å; H1309-F1350 HydrophobicContact CB-CE1 3.77Å; H1309-F1350 HydrophobicContact CB-CE2 3.96Å; H1309-F1350 HydrophobicContact CB-CZ 3.53Å; H1309-F1350 AromaticContact CD2-CD1 3.3Å; H1309-F1350 WeakPolarHBondContact CD2-CD1 3.4Å; H1309-F1350 AromaticContact CD2-CD2 3.5Å; H1309-F1350 AromaticContact CD2-CE1 3.63Å; H1309-F1350 AromaticContact CD2-CE2 3.81Å; H1309-F1350 AromaticContact CD2-CG 3.24Å; H1309-F1350 WeakPolarHBondContact CD2-CG 3.44Å; H1309-F1350 AromaticContact CD2-CZ 3.87Å; H1309-F1350 AromaticContact CG-CD2 3.85Å; H1309-F1350 AromaticContact CG-CE1 3.9Å; H1309-F1350 AromaticContact CG-CE2 3.71Å; H1309-F1350 AromaticContact CG-CZ 3.73Å; H1309-F1350 AromaticContact NE2-CD2 3.62Å; H1309-F1350 AromaticContact NE2-CG 3.48Å; H1309-F1350 WeakPolarHBondContact NE2-CG 3.48Å; M1312-F1350 HydrophobicContact CB-CD1 4.47Å; M1312-F1350 HydrophobicContact CB-CE1 4.23Å; E1313-F1350 HydrophobicContact CB-CZ 4.43Å; R1346-F1350 PolarHBondContact O-N 3.44Å; D1347-F1350 PolarHBondContact O-N 2.7Å; F1350-L1352 VanDerWaalsContact C-N 3.26Å; F1350-L1352 PolarHBondContact O-N 2.91Å; F1350-N1353 PolarHBondContact O-N 2.83Å; F1350-A1354 PolarHBondContact O-N 3.38Å |
| 1351 | C | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -37 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | I1293 I1316 L1332 D1347 L1348 | I1293-C1351 HydrophobicContact CD1-CB 4.4Å; I1316-C1351 HydrophobicContact CD1-CB 3.77Å; I1316-C1351 WeakPolarHBondContact CD1-O 3.14Å; L1332-C1351 HydrophobicContact CD1-CB 4.17Å; D1347-C1351 PolarHBondContact O-N 2.62Å; D1347-C1351 PolarHBondContact O-SG 2.82Å; L1348-C1351 PolarHBondContact O-N 2.64Å |
| 1352 | L | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 172.1 | -70.8 | 175.7 | 0 | 0 | 0 | 110.8 | V1329 L1332 F1336 L1348 S1349 F1350 A1354 M1355 F1357 L1365 F1385 I1388 | V1329-L1352 HydrophobicContact CG1-CD2 4.37Å; L1332-L1352 HydrophobicContact CB-CD2 4Å; L1332-L1352 HydrophobicContact CD1-CD2 3.97Å; F1336-L1352 HydrophobicContact CE2-CD1 3.81Å; F1336-L1352 HydrophobicContact CZ-CD1 4.4Å; L1348-L1352 WeakPolarHBondContact O-CG 3.29Å; L1348-L1352 PolarHBondContact O-N 3.19Å; S1349-L1352 PolarHBondContact O-N 2.7Å; F1350-L1352 VanDerWaalsContact C-N 3.26Å; F1350-L1352 PolarHBondContact O-N 2.91Å; L1352-A1354 VanDerWaalsContact C-N 3.32Å; L1352-A1354 PolarHBondContact O-N 3.31Å; L1352-M1355 HydrophobicContact CB-CE 4.41Å; L1352-M1355 HydrophobicContact CD2-CE 3.38Å; L1352-M1355 HydrophobicContact CG-CE 4.38Å; L1352-M1355 WeakPolarHBondContact O-CB 3.28Å; L1352-M1355 PolarHBondContact O-N 3.26Å; L1352-F1357 WeakPolarHBondContact O-CE2 3.13Å; L1352-L1365 HydrophobicContact CD1-CD1 4.1Å; L1352-L1365 HydrophobicContact CD2-CD1 4.27Å; L1352-F1385 HydrophobicContact CD1-CE1 4.01Å; L1352-F1385 HydrophobicContact CD1-CE2 4.48Å; L1352-F1385 HydrophobicContact CD1-CZ 3.61Å; L1352-I1388 HydrophobicContact CB-CD1 3.87Å |
| 1353 | N | 91.8 | Very high | 89 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.5 | -28.4 | -177 | -173.3 | 52.8 | 0 | 0 | 0 | 114.4 | S1349 F1350 M1355 A1384 S1387 I1388 | S1349-N1353 PolarHBondContact O-N 3.41Å; F1350-N1353 PolarHBondContact O-N 2.83Å; N1353-M1355 PolarHBondContact O-N 3.49Å; N1353-A1384 HydrophobicContact CB-CB 4.3Å; N1353-S1387 WeakPolarHBondContact OD1-CB 3.35Å; N1353-S1387 PolarHBondContact OD1-OG 3.29Å; N1353-I1388 HydrophobicContact CB-CD1 4.17Å; N1353-I1388 HydrophobicContact CB-CG1 3.97Å |
| 1354 | A | 89.3 | Confident | 89 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 24% | 0.24 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1316 F1350 L1352 | I1316-A1354 HydrophobicContact CB-CB 4.39Å; I1316-A1354 HydrophobicContact CD1-CB 3.95Å; I1316-A1354 HydrophobicContact CG2-CB 4.28Å; F1350-A1354 PolarHBondContact O-N 3.38Å; L1352-A1354 VanDerWaalsContact C-N 3.32Å; L1352-A1354 PolarHBondContact O-N 3.31Å |
| 1355 | M | 87.2 | Confident | 89.1 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -81.2 | 141.8 | -177.8 | -78.4 | -168.6 | -79.9 | 0 | 0 | 113.5 | I1316 L1328 V1329 L1332 L1352 N1353 F1357 M1361 | I1316-M1355 HydrophobicContact CG2-CB 4.36Å; I1316-M1355 HydrophobicContact CG2-CG 3.53Å; L1328-M1355 HydrophobicContact CD2-SD 4.35Å; V1329-M1355 HydrophobicContact CB-CE 4.31Å; V1329-M1355 HydrophobicContact CG2-CE 3.39Å; V1329-M1355 HydrophobicContact CG2-SD 3.68Å; L1332-M1355 HydrophobicContact CD1-CE 3.86Å; L1352-M1355 HydrophobicContact CB-CE 4.41Å; L1352-M1355 HydrophobicContact CD2-CE 3.38Å; L1352-M1355 HydrophobicContact CG-CE 4.38Å; L1352-M1355 WeakPolarHBondContact O-CB 3.28Å; L1352-M1355 PolarHBondContact O-N 3.26Å; N1353-M1355 PolarHBondContact O-N 3.49Å; M1355-F1357 HydrophobicContact CB-CD2 4.43Å; M1355-F1357 HydrophobicContact CB-CE2 4.19Å; M1355-F1357 VanDerWaalsContact O-CD2 3.26Å; M1355-F1357 WeakPolarHBondContact O-CD2 3.47Å; M1355-F1357 PolarHBondContact O-N 2.85Å; M1355-M1361 HydrophobicContact CB-CE 3.99Å; M1355-M1361 HydrophobicContact SD-CE 4.03Å |
| 1356 | P | 84 | Confident | 89 | Confident | 82 Ų | 82 | 33.3 Ų | 33.3 | 53% | 0.532 | 16% | 0.16 | S | C | . | . | trans | -76.6 | 86.6 | 172.8 | 31.4 | -33.7 | 0 | 0 | 0 | 110.4 | S1358 | P1356-S1358 PolarHBondContact O-N 2.95Š| ||
| 1357 | F | 86.2 | Confident | 89 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | trans | -63.3 | 123.6 | -175.6 | -81.2 | -89.1 | 0 | 0 | 0 | 113.4 | V1329 L1352 M1355 M1361 L1365 I1388 V1392 | V1329-F1357 HydrophobicContact CG2-CE1 4.37Å; L1352-F1357 WeakPolarHBondContact O-CE2 3.13Å; M1355-F1357 HydrophobicContact CB-CD2 4.43Å; M1355-F1357 HydrophobicContact CB-CE2 4.19Å; M1355-F1357 VanDerWaalsContact O-CD2 3.26Å; M1355-F1357 WeakPolarHBondContact O-CD2 3.47Å; M1355-F1357 PolarHBondContact O-N 2.85Å; F1357-M1361 HydrophobicContact CD1-CB 3.87Å; F1357-M1361 HydrophobicContact CD1-CE 4.4Å; F1357-M1361 HydrophobicContact CE1-CB 4.45Å; F1357-L1365 HydrophobicContact CE1-CB 4.36Å; F1357-L1365 HydrophobicContact CE1-CD2 3.81Å; F1357-L1365 HydrophobicContact CE1-CG 4.49Å; F1357-L1365 HydrophobicContact CZ-CD2 4Å; F1357-I1388 HydrophobicContact CD1-CG2 4.36Å; F1357-I1388 HydrophobicContact CD2-CG1 4.46Å; F1357-I1388 HydrophobicContact CD2-CG2 3.68Å; F1357-I1388 HydrophobicContact CE1-CG2 4.16Å; F1357-I1388 HydrophobicContact CE2-CB 4.19Å; F1357-I1388 HydrophobicContact CE2-CD1 3.84Å; F1357-I1388 HydrophobicContact CE2-CG1 3.72Å; F1357-I1388 HydrophobicContact CE2-CG2 3.41Å; F1357-I1388 VanDerWaalsContact CE2-CG2 3.41Å; F1357-I1388 HydrophobicContact CG-CG2 4.14Å; F1357-I1388 HydrophobicContact CZ-CD1 3.95Å; F1357-I1388 HydrophobicContact CZ-CG1 4.29Å; F1357-I1388 HydrophobicContact CZ-CG2 3.69Å; F1357-V1392 HydrophobicContact CB-CG2 3.52Å; F1357-V1392 HydrophobicContact CG-CG2 4.13Å | ||
| 1358 | S | 84 | Confident | 89 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -93.2 | 166.9 | 163 | 82.1 | 0 | 0 | 0 | 0 | 112.2 | E1322 P1356 R1360 M1361 M1362 | E1322-S1358 WeakPolarHBondContact OE1-CB 3.37Å; E1322-S1358 PolarHBondContact OE1-OG 3.25Å; P1356-S1358 PolarHBondContact O-N 2.95Å; S1358-R1360 PolarHBondContact O-N 2.96Å; S1358-R1360 VanDerWaalsContact O-N 3.11Å; S1358-R1360 PolarHBondContact OG-N 3.41Å; S1358-M1361 PolarHBondContact O-N 2.93Å; S1358-M1361 VanDerWaalsContact O-N 3.13Å; S1358-M1361 PolarHBondContact OG-N 3.25Å; S1358-M1362 PolarHBondContact O-N 3.39Å | ||
| 1359 | D | 83 | Confident | 89 | Confident | 57 Ų | 57 | 38 Ų | 38 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -49.2 | -37.1 | 172.8 | -81 | -44.2 | 0 | 0 | 0 | 112.7 | R1363 I1396 N1400 | D1359-R1363 PolarHBondContact O-N 2.94Å; D1359-I1396 WeakPolarHBondContact OD1-CG1 3.38Å; D1359-N1400 PolarHBondContact OD1-ND2 2.85Å; D1359-N1400 PolarHBondContact OD2-ND2 3.47Å |
| 1360 | R | 84.4 | Confident | 88.9 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 48% | 0.475 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.8 | -43.5 | -178.7 | -66.3 | 179.3 | 177.8 | 168.5 | 1.5 | 111.7 | S1358 M1362 R1363 V1364 | S1358-R1360 PolarHBondContact O-N 2.96Å; S1358-R1360 VanDerWaalsContact O-N 3.11Å; S1358-R1360 PolarHBondContact OG-N 3.41Å; R1360-M1362 VanDerWaalsContact C-N 3.31Å; R1360-M1362 PolarHBondContact O-N 3.03Å; R1360-R1363 WeakPolarHBondContact O-CB 3.5Å; R1360-R1363 PolarHBondContact O-N 2.96Å; R1360-V1364 PolarHBondContact O-N 3.24Å; R1360-V1364 VanDerWaalsContact O-N 3.15Å |
| 1361 | M | 88.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.1 | -65.5 | 169.4 | 62.9 | 0 | 0 | 111.7 | C1325 E1326 V1329 M1355 F1357 S1358 R1363 V1364 L1365 | C1325-M1361 HydrophobicContact CB-CE 3.59Å; C1325-M1361 HydrophobicContact CB-CG 4.49Å; C1325-M1361 HydrophobicContact CB-SD 3.61Å; E1326-M1361 HydrophobicContact CB-CG 4.41Å; V1329-M1361 HydrophobicContact CG2-CB 4.42Å; V1329-M1361 HydrophobicContact CG2-CE 3.83Å; M1355-M1361 HydrophobicContact CB-CE 3.99Å; M1355-M1361 HydrophobicContact SD-CE 4.03Å; F1357-M1361 HydrophobicContact CD1-CB 3.87Å; F1357-M1361 HydrophobicContact CD1-CE 4.4Å; F1357-M1361 HydrophobicContact CE1-CB 4.45Å; S1358-M1361 PolarHBondContact O-N 2.93Å; S1358-M1361 VanDerWaalsContact O-N 3.13Å; S1358-M1361 PolarHBondContact OG-N 3.25Å; M1361-R1363 VanDerWaalsContact C-N 3.31Å; M1361-R1363 PolarHBondContact O-N 3.49Å; M1361-V1364 PolarHBondContact O-N 3.19Å; M1361-L1365 PolarHBondContact O-N 2.75Å |
| 1362 | M | 86.7 | Confident | 88.7 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.5 | -170.7 | -75.1 | -66.4 | 0 | 0 | 111.2 | S1358 R1360 V1364 L1365 Y1366 V1392 I1396 L1404 F1407 | S1358-M1362 PolarHBondContact O-N 3.39Å; R1360-M1362 VanDerWaalsContact C-N 3.31Å; R1360-M1362 PolarHBondContact O-N 3.03Å; M1362-V1364 PolarHBondContact O-N 3.19Å; M1362-L1365 WeakPolarHBondContact O-CB 3.3Å; M1362-L1365 PolarHBondContact O-N 2.81Å; M1362-Y1366 PolarHBondContact O-N 3.49Å; M1362-V1392 HydrophobicContact CG-CG1 4.29Å; M1362-I1396 HydrophobicContact CE-CD1 4.27Å; M1362-L1404 HydrophobicContact CG-CD1 4.11Å; M1362-L1404 HydrophobicContact SD-CD1 4.15Å; M1362-F1407 HydrophobicContact SD-CD1 4.37Å |
| 1363 | R | 85.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 41.1 Ų | 41.1 | 42% | 0.419 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.9 | -175.1 | -179.8 | 65.6 | -120.6 | -4.7 | 111.9 | D1359 R1360 M1361 L1365 Y1366 E1367 | D1359-R1363 PolarHBondContact O-N 2.94Å; R1360-R1363 WeakPolarHBondContact O-CB 3.5Å; R1360-R1363 PolarHBondContact O-N 2.96Å; M1361-R1363 VanDerWaalsContact C-N 3.31Å; M1361-R1363 PolarHBondContact O-N 3.49Å; R1363-L1365 VanDerWaalsContact C-N 3.33Å; R1363-L1365 PolarHBondContact O-N 3.29Å; R1363-Y1366 PolarHBondContact O-N 3.44Å; R1363-E1367 HydrophobicContact CG-CG 4.47Å; R1363-E1367 VanDerWaalsContact CG-OE1 3.32Å; R1363-E1367 WeakPolarHBondContact CG-OE1 3.31Å; R1363-E1367 IonicContact NE-OE1 3.46Å; R1363-E1367 WeakPolarHBondContact O-CG 3.37Å; R1363-E1367 PolarHBondContact O-N 2.98Å |
| 1364 | V | 89.6 | Confident | 88.4 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 112 | E1326 V1329 E1330 R1360 M1361 M1362 Y1366 N1368 | E1326-V1364 HydrophobicContact CG-CB 4.36Å; E1326-V1364 HydrophobicContact CG-CG2 3.57Å; E1326-V1364 WeakPolarHBondContact OE1-CG2 3.33Å; V1329-V1364 HydrophobicContact CG1-CG1 4.2Å; E1330-V1364 HydrophobicContact CB-CG1 4Å; R1360-V1364 PolarHBondContact O-N 3.24Å; R1360-V1364 VanDerWaalsContact O-N 3.15Å; M1361-V1364 PolarHBondContact O-N 3.19Å; M1362-V1364 PolarHBondContact O-N 3.19Å; V1364-Y1366 VanDerWaalsContact C-N 3.35Å; V1364-N1368 WeakPolarHBondContact O-CB 3.4Å; V1364-N1368 PolarHBondContact O-N 2.93Å; V1364-N1368 VanDerWaalsContact O-N 3.15Å; V1364-N1368 PolarHBondContact O-ND2 2.85Å |
| 1365 | L | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.6 | -168.7 | 69.1 | 0 | 0 | 0 | 111.2 | V1329 L1352 F1357 M1361 M1362 R1363 N1368 L1369 F1372 F1385 I1388 F1407 | V1329-L1365 HydrophobicContact CG1-CB 4.2Å; V1329-L1365 HydrophobicContact CG1-CD1 3.92Å; L1352-L1365 HydrophobicContact CD1-CD1 4.1Å; L1352-L1365 HydrophobicContact CD2-CD1 4.27Å; F1357-L1365 HydrophobicContact CE1-CB 4.36Å; F1357-L1365 HydrophobicContact CE1-CD2 3.81Å; F1357-L1365 HydrophobicContact CE1-CG 4.49Å; F1357-L1365 HydrophobicContact CZ-CD2 4Å; M1361-L1365 PolarHBondContact O-N 2.75Å; M1362-L1365 WeakPolarHBondContact O-CB 3.3Å; M1362-L1365 PolarHBondContact O-N 2.81Å; R1363-L1365 VanDerWaalsContact C-N 3.33Å; R1363-L1365 PolarHBondContact O-N 3.29Å; L1365-N1368 PolarHBondContact O-N 2.9Å; L1365-L1369 PolarHBondContact O-N 3.47Å; L1365-F1372 HydrophobicContact CD1-CE1 4.28Å; L1365-F1372 HydrophobicContact CD1-CZ 4.42Å; L1365-F1372 HydrophobicContact CG-CZ 4.45Å; L1365-F1385 HydrophobicContact CD1-CE1 3.93Å; L1365-F1385 HydrophobicContact CD2-CD1 4.27Å; L1365-F1385 HydrophobicContact CD2-CE1 4.17Å; L1365-F1385 HydrophobicContact CG-CE1 4.25Å; L1365-I1388 HydrophobicContact CD2-CG2 4.12Å; L1365-F1407 HydrophobicContact CD2-CE1 3.97Å; L1365-F1407 HydrophobicContact CD2-CZ 4.06Å; L1365-F1407 HydrophobicContact CG-CE1 4.43Å; L1365-F1407 HydrophobicContact CG-CZ 4.13Å |
| 1366 | Y | 90.2 | Very high | 88.6 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | 179.8 | 178.8 | -140.2 | 0 | 0 | 0 | 112.8 | M1362 R1363 V1364 N1368 L1369 E1406 F1407 K1410 | M1362-Y1366 PolarHBondContact O-N 3.49Å; R1363-Y1366 PolarHBondContact O-N 3.44Å; V1364-Y1366 VanDerWaalsContact C-N 3.35Å; Y1366-N1368 PolarHBondContact O-N 3.3Å; Y1366-L1369 HydrophobicContact CE2-CD2 4.39Å; Y1366-L1369 WeakPolarHBondContact O-CB 3.37Å; Y1366-L1369 PolarHBondContact O-N 3.05Å; Y1366-L1369 VanDerWaalsContact O-N 3.11Å; Y1366-E1406 VanDerWaalsContact OH-CD 3.31Å; Y1366-E1406 PolarHBondContact OH-OE1 3Å; Y1366-F1407 HydrophobicContact CD2-CB 3.96Å; Y1366-F1407 AromaticContact CD2-CD2 3.15Å; Y1366-F1407 HydrophobicContact CD2-CD2 3.15Å; Y1366-F1407 AromaticContact CD2-CE2 3.79Å; Y1366-F1407 HydrophobicContact CD2-CE2 3.79Å; Y1366-F1407 AromaticContact CD2-CG 3.78Å; Y1366-F1407 HydrophobicContact CD2-CG 3.78Å; Y1366-F1407 HydrophobicContact CE2-CB 4.19Å; Y1366-F1407 AromaticContact CE2-CD2 3.79Å; Y1366-F1407 HydrophobicContact CE2-CD2 3.79Å; Y1366-F1407 HydrophobicContact CE2-CG 4.38Å; Y1366-F1407 HydrophobicContact CG-CB 4.28Å; Y1366-F1407 AromaticContact CG-CD2 3.92Å; Y1366-F1407 HydrophobicContact CG-CD2 3.92Å; Y1366-F1407 HydrophobicContact CG-CE2 4.49Å; Y1366-F1407 HydrophobicContact CG-CG 4.17Å; Y1366-K1410 HydrophobicContact CE2-CD 3.74Å; Y1366-K1410 WeakPolarHBondContact OH-CD 3.19Å; Y1366-K1410 PolarHBondContact OH-NZ 3.49Å |
| 1367 | E | 90.7 | Very high | 88.9 | Confident | 124 Ų | 124 | 40.8 Ų | 40.8 | 58% | 0.579 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.8 | -30 | 176.5 | -73.2 | 172.7 | -172.1 | 0 | 0 | 112.3 | R1363 | R1363-E1367 HydrophobicContact CG-CG 4.47Å; R1363-E1367 VanDerWaalsContact CG-OE1 3.32Å; R1363-E1367 WeakPolarHBondContact CG-OE1 3.31Å; R1363-E1367 IonicContact NE-OE1 3.46Å; R1363-E1367 WeakPolarHBondContact O-CG 3.37Å; R1363-E1367 PolarHBondContact O-N 2.98Å |
| 1368 | N | 92.2 | Very high | 89.1 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.7 | 177.9 | -78.4 | -78 | 0 | 0 | 0 | 114.9 | C1333 V1364 L1365 Y1366 P1370 A1371 F1372 | C1333-N1368 HydrophobicContact CB-CB 3.66Å; V1364-N1368 WeakPolarHBondContact O-CB 3.4Å; V1364-N1368 PolarHBondContact O-N 2.93Å; V1364-N1368 VanDerWaalsContact O-N 3.15Å; V1364-N1368 PolarHBondContact O-ND2 2.85Å; L1365-N1368 PolarHBondContact O-N 2.9Å; Y1366-N1368 PolarHBondContact O-N 3.3Å; N1368-P1370 VanDerWaalsContact C-N 3.3Å; N1368-P1370 VanDerWaalsContact O-N 3.12Å; N1368-A1371 WeakPolarHBondContact O-CB 3.18Å; N1368-A1371 PolarHBondContact O-N 3.18Å; N1368-F1372 WeakPolarHBondContact O-CE1 3.02Å |
| 1369 | L | 91.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -45.6 | -42.4 | 177.5 | 177 | 62.1 | 0 | 0 | 0 | 114.5 | L1365 Y1366 A1371 F1372 A1373 L1376 F1407 K1410 V1411 F1414 | L1365-L1369 PolarHBondContact O-N 3.47Å; Y1366-L1369 HydrophobicContact CE2-CD2 4.39Å; Y1366-L1369 WeakPolarHBondContact O-CB 3.37Å; Y1366-L1369 PolarHBondContact O-N 3.05Å; Y1366-L1369 VanDerWaalsContact O-N 3.11Å; L1369-A1371 PolarHBondContact O-N 3.47Å; L1369-F1372 HydrophobicContact CB-CZ 4.3Å; L1369-F1372 HydrophobicContact CD1-CD2 4.23Å; L1369-F1372 HydrophobicContact CD1-CE2 3.49Å; L1369-F1372 VanDerWaalsContact CD1-CE2 3.49Å; L1369-F1372 HydrophobicContact CD1-CZ 3.89Å; L1369-F1372 PolarHBondContact O-N 2.91Å; L1369-A1373 HydrophobicContact CD1-CB 4.48Å; L1369-A1373 WeakPolarHBondContact O-CB 3.45Å; L1369-A1373 PolarHBondContact O-N 3.01Å; L1369-L1376 HydrophobicContact CD1-CD1 4.27Å; L1369-F1407 HydrophobicContact CD1-CE2 4.22Å; L1369-K1410 HydrophobicContact CD2-CB 4Å; L1369-K1410 HydrophobicContact CD2-CD 4.42Å; L1369-V1411 HydrophobicContact CD1-CG2 4.31Å; L1369-F1414 HydrophobicContact CD1-CD2 4.31Å; L1369-F1414 HydrophobicContact CD2-CD2 4.05Å; L1369-F1414 HydrophobicContact CD2-CE2 3.73Å; L1369-F1414 HydrophobicContact CG-CD2 4.36Å; L1369-F1414 HydrophobicContact CG-CE2 4.17Å |
| 1370 | P | 90.8 | Very high | 89.7 | Confident | 97 Ų | 97 | 45.7 Ų | 45.7 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -60.6 | -16.5 | 177.6 | -24.3 | 35.1 | 0 | 0 | 0 | 115.1 | N1368 | N1368-P1370 VanDerWaalsContact C-N 3.3Å; N1368-P1370 VanDerWaalsContact O-N 3.12Å |
| 1371 | A | 90.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -77.9 | -24.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1333 F1336 R1337 N1368 L1369 | C1333-A1371 HydrophobicContact CB-CB 4.43Å; C1333-A1371 WeakPolarHBondContact O-CB 3.44Å; F1336-A1371 WeakPolarHBondContact CB-O 3.34Å; R1337-A1371 HydrophobicContact CG-CB 4.05Å; N1368-A1371 WeakPolarHBondContact O-CB 3.18Å; N1368-A1371 PolarHBondContact O-N 3.18Å; L1369-A1371 PolarHBondContact O-N 3.47Å |
| 1372 | F | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -1.5 | -178.4 | 57 | -97.9 | 0 | 0 | 0 | 113.7 | F1336 L1365 N1368 L1369 D1374 K1375 L1376 F1385 | F1336-F1372 HydrophobicContact CB-CB 4.16Å; F1336-F1372 HydrophobicContact CD1-CB 4.04Å; F1336-F1372 HydrophobicContact CD2-CB 4.08Å; F1336-F1372 HydrophobicContact CE1-CB 4.42Å; F1336-F1372 HydrophobicContact CE2-CB 4.45Å; F1336-F1372 HydrophobicContact CG-CB 3.84Å; L1365-F1372 HydrophobicContact CD1-CE1 4.28Å; L1365-F1372 HydrophobicContact CD1-CZ 4.42Å; L1365-F1372 HydrophobicContact CG-CZ 4.45Å; N1368-F1372 WeakPolarHBondContact O-CE1 3.02Å; L1369-F1372 HydrophobicContact CB-CZ 4.3Å; L1369-F1372 HydrophobicContact CD1-CD2 4.23Å; L1369-F1372 HydrophobicContact CD1-CE2 3.49Å; L1369-F1372 VanDerWaalsContact CD1-CE2 3.49Å; L1369-F1372 HydrophobicContact CD1-CZ 3.89Å; L1369-F1372 PolarHBondContact O-N 2.91Å; F1372-D1374 VanDerWaalsContact C-N 3.28Å; F1372-D1374 PolarHBondContact O-N 3.44Å; F1372-K1375 WeakPolarHBondContact O-CB 3.44Å; F1372-K1375 PolarHBondContact O-N 3.21Å; F1372-L1376 HydrophobicContact CD2-CD1 4.42Å; F1372-L1376 HydrophobicContact CD2-CD2 4.33Å; F1372-L1376 HydrophobicContact CD2-CG 4.33Å; F1372-L1376 PolarHBondContact O-N 3.24Å; F1372-F1385 HydrophobicContact CB-CZ 4.48Å; F1372-F1385 HydrophobicContact CD1-CE1 4.47Å; F1372-F1385 HydrophobicContact CD1-CZ 4.07Å; F1372-F1385 AromaticContact CD2-CE1 3.84Å; F1372-F1385 HydrophobicContact CD2-CE1 3.84Å; F1372-F1385 AromaticContact CD2-CE2 3.82Å; F1372-F1385 HydrophobicContact CD2-CE2 3.82Å; F1372-F1385 AromaticContact CD2-CZ 3.39Å; F1372-F1385 HydrophobicContact CD2-CZ 3.39Å; F1372-F1385 HydrophobicContact CE1-CE1 4.03Å; F1372-F1385 HydrophobicContact CE1-CZ 4.1Å; F1372-F1385 AromaticContact CE2-CD1 3.95Å; F1372-F1385 HydrophobicContact CE2-CD1 3.95Å; F1372-F1385 AromaticContact CE2-CE1 3.32Å; F1372-F1385 HydrophobicContact CE2-CE1 3.32Å; F1372-F1385 HydrophobicContact CE2-CE2 4.1Å; F1372-F1385 AromaticContact CE2-CZ 3.43Å; F1372-F1385 HydrophobicContact CE2-CZ 3.43Å; F1372-F1385 VanDerWaalsContact CE2-CZ 3.43Å; F1372-F1385 HydrophobicContact CG-CE1 4.38Å; F1372-F1385 HydrophobicContact CG-CE2 4.33Å; F1372-F1385 AromaticContact CG-CZ 3.73Å; F1372-F1385 HydrophobicContact CG-CZ 3.73Å; F1372-F1385 HydrophobicContact CZ-CD1 4.27Å; F1372-F1385 AromaticContact CZ-CE1 3.43Å; F1372-F1385 HydrophobicContact CZ-CE1 3.43Å; F1372-F1385 VanDerWaalsContact CZ-CE1 3.43Å; F1372-F1385 AromaticContact CZ-CZ 3.79Å; F1372-F1385 HydrophobicContact CZ-CZ 3.79Å |
| 1373 | A | 89.3 | Confident | 90.7 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -55.6 | -36.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1369 K1375 F1414 | L1369-A1373 HydrophobicContact CD1-CB 4.48Å; L1369-A1373 WeakPolarHBondContact O-CB 3.45Å; L1369-A1373 PolarHBondContact O-N 3.01Å; A1373-K1375 PolarHBondContact O-N 2.87Å; A1373-F1414 HydrophobicContact CB-CD1 3.94Å; A1373-F1414 HydrophobicContact CB-CD2 4.33Å; A1373-F1414 HydrophobicContact CB-CE1 4.07Å; A1373-F1414 HydrophobicContact CB-CE2 4.47Å; A1373-F1414 HydrophobicContact CB-CG 4.1Å; A1373-F1414 HydrophobicContact CB-CZ 4.34Å |
| 1374 | D | 88 | Confident | 91 | Very high | 101 Ų | 101 | 38 Ų | 38 | 54% | 0.54 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -76.6 | -10.4 | 178 | 69.8 | -46.9 | 0 | 0 | 0 | 113.5 | F1372 | F1372-D1374 VanDerWaalsContact C-N 3.28Å; F1372-D1374 PolarHBondContact O-N 3.44Å |
| 1375 | K | 89.9 | Confident | 91.2 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -96.5 | -12.8 | 178.9 | -46.7 | -49.1 | -176.2 | -161.5 | 0 | 113 | F1336 W1345 F1372 A1373 C1377 V1378 | F1336-K1375 HydrophobicContact CD1-CG 4.15Å; W1345-K1375 HydrophobicContact CD2-CB 4.43Å; W1345-K1375 HydrophobicContact CD2-CD 3.75Å; W1345-K1375 HydrophobicContact CD2-CG 4.17Å; W1345-K1375 HydrophobicContact CE3-CB 4.48Å; W1345-K1375 HydrophobicContact CE3-CD 3.96Å; W1345-K1375 HydrophobicContact CG-CD 4.37Å; W1345-K1375 HydrophobicContact CG-CG 4.31Å; W1345-K1375 HydrophobicContact CH2-CD 3.96Å; W1345-K1375 HydrophobicContact CZ2-CD 3.71Å; W1345-K1375 HydrophobicContact CZ3-CD 4.08Å; F1372-K1375 WeakPolarHBondContact O-CB 3.44Å; F1372-K1375 PolarHBondContact O-N 3.21Å; A1373-K1375 PolarHBondContact O-N 2.87Å; K1375-C1377 PolarHBondContact O-N 2.9Å; K1375-C1377 VanDerWaalsContact O-N 3.08Å; K1375-V1378 PolarHBondContact O-N 3.39Å; K1375-V1378 VanDerWaalsContact O-N 3.11Å |
| 1376 | L | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.7 | 177.6 | -69.2 | 173.5 | 0 | 0 | 0 | 113.4 | L1369 F1372 V1378 V1381 F1385 V1411 F1414 H1415 | L1369-L1376 HydrophobicContact CD1-CD1 4.27Å; F1372-L1376 HydrophobicContact CD2-CD1 4.42Å; F1372-L1376 HydrophobicContact CD2-CD2 4.33Å; F1372-L1376 HydrophobicContact CD2-CG 4.33Å; F1372-L1376 PolarHBondContact O-N 3.24Å; L1376-V1378 PolarHBondContact O-N 2.93Å; L1376-V1381 HydrophobicContact CD2-CG1 4.34Å; L1376-F1385 HydrophobicContact CD2-CB 4.5Å; L1376-F1385 HydrophobicContact CD2-CD2 3.62Å; L1376-F1385 HydrophobicContact CD2-CE2 4.11Å; L1376-F1385 HydrophobicContact CD2-CG 4.18Å; L1376-V1411 HydrophobicContact CD1-CG1 4.2Å; L1376-V1411 HydrophobicContact CD2-CG1 4.29Å; L1376-F1414 HydrophobicContact CD1-CB 3.77Å; L1376-H1415 PolarHBondContact O-ND1 2.72Å |
| 1377 | C | 88.7 | Confident | 91.4 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24.9 | 169.4 | 57.5 | 0 | 0 | 0 | 0 | 113 | K1375 | K1375-C1377 PolarHBondContact O-N 2.9Å; K1375-C1377 VanDerWaalsContact O-N 3.08Å |
| 1378 | V | 90.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -76.1 | 126.6 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | E1342 W1345 R1346 K1375 L1376 E1380 V1381 Y1382 | E1342-V1378 HydrophobicContact CG-CG1 4.2Å; E1342-V1378 HydrophobicContact CG-CG2 4.04Å; W1345-V1378 HydrophobicContact CE3-CG2 4.1Å; W1345-V1378 HydrophobicContact CZ3-CG2 4.41Å; R1346-V1378 HydrophobicContact CG-CG1 4.24Å; K1375-V1378 PolarHBondContact O-N 3.39Å; K1375-V1378 VanDerWaalsContact O-N 3.11Å; L1376-V1378 PolarHBondContact O-N 2.93Å; V1378-E1380 VanDerWaalsContact CG1-OE2 3.29Å; V1378-E1380 WeakPolarHBondContact CG1-OE2 3.5Å; V1378-E1380 PolarHBondContact O-N 3.35Å; V1378-V1381 HydrophobicContact CB-CB 4.13Å; V1378-V1381 HydrophobicContact CB-CG2 3.84Å; V1378-V1381 HydrophobicContact CG1-CB 4.47Å; V1378-V1381 HydrophobicContact CG1-CG2 3.89Å; V1378-V1381 PolarHBondContact O-N 2.92Å; V1378-Y1382 PolarHBondContact O-N 3.48Å |
| 1379 | Q | 90.5 | Very high | 91.4 | Very high | 107 Ų | 107 | 33.1 Ų | 33.1 | 50% | 0.5 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -170.4 | -178.5 | 59.5 | 33.9 | 0 | 0 | 112.6 | Y1382 A1383 H1415 | Q1379-Y1382 PolarHBondContact O-N 3.31Å; Q1379-A1383 WeakPolarHBondContact O-CB 3.43Å; Q1379-A1383 PolarHBondContact O-N 3.11Å; Q1379-H1415 PolarHBondContact OE1-CE1 2.8Å |
| 1380 | E | 90.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 35 Ų | 35 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.9 | -39.3 | -179.1 | -62.2 | 78.6 | -176.5 | 0 | 0 | 111 | R1346 V1378 A1383 A1384 | R1346-E1380 HydrophobicContact CG-CB 4.04Å; V1378-E1380 VanDerWaalsContact CG1-OE2 3.29Å; V1378-E1380 WeakPolarHBondContact CG1-OE2 3.5Å; V1378-E1380 PolarHBondContact O-N 3.35Å; E1380-A1383 PolarHBondContact O-N 3.39Å; E1380-A1384 PolarHBondContact O-N 3.41Å |
| 1381 | V | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -49.6 | 175 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | W1345 R1346 L1376 V1378 A1383 A1384 F1385 | W1345-V1381 HydrophobicContact CB-CG2 4.11Å; R1346-V1381 HydrophobicContact CG-CG2 4.23Å; L1376-V1381 HydrophobicContact CD2-CG1 4.34Å; V1378-V1381 HydrophobicContact CB-CB 4.13Å; V1378-V1381 HydrophobicContact CB-CG2 3.84Å; V1378-V1381 HydrophobicContact CG1-CB 4.47Å; V1378-V1381 HydrophobicContact CG1-CG2 3.89Å; V1378-V1381 PolarHBondContact O-N 2.92Å; V1381-A1383 VanDerWaalsContact C-N 3.34Å; V1381-A1383 PolarHBondContact O-N 2.98Å; V1381-A1384 WeakPolarHBondContact O-CB 3.24Å; V1381-A1384 PolarHBondContact O-N 3.35Å; V1381-F1385 HydrophobicContact CG1-CD2 4.02Å; V1381-F1385 HydrophobicContact CG1-CE2 3.82Å; V1381-F1385 VanDerWaalsContact O-CD2 3.24Å; V1381-F1385 WeakPolarHBondContact O-CD2 3.39Å; V1381-F1385 PolarHBondContact O-N 2.93Å |
| 1382 | Y | 93.8 | Very high | 91 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 176 | 172.7 | -100.4 | 0 | 0 | 0 | 112.3 | V1378 Q1379 A1384 F1385 D1386 V1411 H1415 | V1378-Y1382 PolarHBondContact O-N 3.48Å; Q1379-Y1382 PolarHBondContact O-N 3.31Å; Y1382-A1384 VanDerWaalsContact C-N 3.3Å; Y1382-A1384 PolarHBondContact O-N 3.34Å; Y1382-F1385 PolarHBondContact O-N 3.45Å; Y1382-F1385 VanDerWaalsContact O-N 3.16Å; Y1382-D1386 HydrophobicContact CE1-CB 4.45Å; Y1382-D1386 WeakPolarHBondContact O-CB 3.4Å; Y1382-D1386 PolarHBondContact O-N 2.82Å; Y1382-V1411 HydrophobicContact CD2-CG1 4.08Å; Y1382-V1411 HydrophobicContact CE2-CG1 4.03Å; Y1382-H1415 HydrophobicContact CD2-CB 3.42Å; Y1382-H1415 VanDerWaalsContact CD2-CB 3.42Å; Y1382-H1415 AromaticContact CD2-CD2 3.97Å; Y1382-H1415 AromaticContact CD2-CG 3.45Å; Y1382-H1415 VanDerWaalsContact CD2-CG 3.45Å; Y1382-H1415 AromaticContact CD2-ND1 3.81Å; Y1382-H1415 HydrophobicContact CE2-CB 3.68Å; Y1382-H1415 AromaticContact CE2-CD2 4Å; Y1382-H1415 AromaticContact CE2-CG 3.82Å; Y1382-H1415 HydrophobicContact CG-CB 4.12Å; Y1382-H1415 AromaticContact CG-CD2 4Å; Y1382-H1415 AromaticContact CG-CE1 3.87Å; Y1382-H1415 AromaticContact CG-CG 3.63Å; Y1382-H1415 AromaticContact CG-ND1 3.55Å |
| 1383 | A | 93.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1379 E1380 V1381 D1386 S1387 | Q1379-A1383 WeakPolarHBondContact O-CB 3.43Å; Q1379-A1383 PolarHBondContact O-N 3.11Å; E1380-A1383 PolarHBondContact O-N 3.39Å; V1381-A1383 VanDerWaalsContact C-N 3.34Å; V1381-A1383 PolarHBondContact O-N 2.98Å; A1383-D1386 PolarHBondContact O-N 3.13Å; A1383-S1387 WeakPolarHBondContact O-CB 3.36Å; A1383-S1387 PolarHBondContact O-N 2.82Å |
| 1384 | A | 91.7 | Very high | 90.6 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1353 E1380 V1381 Y1382 S1387 I1388 | N1353-A1384 HydrophobicContact CB-CB 4.3Å; E1380-A1384 PolarHBondContact O-N 3.41Å; V1381-A1384 WeakPolarHBondContact O-CB 3.24Å; V1381-A1384 PolarHBondContact O-N 3.35Å; Y1382-A1384 VanDerWaalsContact C-N 3.3Å; Y1382-A1384 PolarHBondContact O-N 3.34Å; A1384-S1387 WeakPolarHBondContact O-CB 3.31Å; A1384-S1387 PolarHBondContact O-N 3.23Å; A1384-I1388 VanDerWaalsContact O-CG1 3.26Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.17Å |
| 1385 | F | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 176.2 | -78.1 | -82.3 | 0 | 0 | 0 | 112.9 | L1352 L1365 F1372 L1376 V1381 Y1382 S1387 I1388 I1389 V1411 | L1352-F1385 HydrophobicContact CD1-CE1 4.01Å; L1352-F1385 HydrophobicContact CD1-CE2 4.48Å; L1352-F1385 HydrophobicContact CD1-CZ 3.61Å; L1365-F1385 HydrophobicContact CD1-CE1 3.93Å; L1365-F1385 HydrophobicContact CD2-CD1 4.27Å; L1365-F1385 HydrophobicContact CD2-CE1 4.17Å; L1365-F1385 HydrophobicContact CG-CE1 4.25Å; F1372-F1385 HydrophobicContact CB-CZ 4.48Å; F1372-F1385 HydrophobicContact CD1-CE1 4.47Å; F1372-F1385 HydrophobicContact CD1-CZ 4.07Å; F1372-F1385 AromaticContact CD2-CE1 3.84Å; F1372-F1385 HydrophobicContact CD2-CE1 3.84Å; F1372-F1385 AromaticContact CD2-CE2 3.82Å; F1372-F1385 HydrophobicContact CD2-CE2 3.82Å; F1372-F1385 AromaticContact CD2-CZ 3.39Å; F1372-F1385 HydrophobicContact CD2-CZ 3.39Å; F1372-F1385 HydrophobicContact CE1-CE1 4.03Å; F1372-F1385 HydrophobicContact CE1-CZ 4.1Å; F1372-F1385 AromaticContact CE2-CD1 3.95Å; F1372-F1385 HydrophobicContact CE2-CD1 3.95Å; F1372-F1385 AromaticContact CE2-CE1 3.32Å; F1372-F1385 HydrophobicContact CE2-CE1 3.32Å; F1372-F1385 HydrophobicContact CE2-CE2 4.1Å; F1372-F1385 AromaticContact CE2-CZ 3.43Å; F1372-F1385 HydrophobicContact CE2-CZ 3.43Å; F1372-F1385 VanDerWaalsContact CE2-CZ 3.43Å; F1372-F1385 HydrophobicContact CG-CE1 4.38Å; F1372-F1385 HydrophobicContact CG-CE2 4.33Å; F1372-F1385 AromaticContact CG-CZ 3.73Å; F1372-F1385 HydrophobicContact CG-CZ 3.73Å; F1372-F1385 HydrophobicContact CZ-CD1 4.27Å; F1372-F1385 AromaticContact CZ-CE1 3.43Å; F1372-F1385 HydrophobicContact CZ-CE1 3.43Å; F1372-F1385 VanDerWaalsContact CZ-CE1 3.43Å; F1372-F1385 AromaticContact CZ-CZ 3.79Å; F1372-F1385 HydrophobicContact CZ-CZ 3.79Å; L1376-F1385 HydrophobicContact CD2-CB 4.5Å; L1376-F1385 HydrophobicContact CD2-CD2 3.62Å; L1376-F1385 HydrophobicContact CD2-CE2 4.11Å; L1376-F1385 HydrophobicContact CD2-CG 4.18Å; V1381-F1385 HydrophobicContact CG1-CD2 4.02Å; V1381-F1385 HydrophobicContact CG1-CE2 3.82Å; V1381-F1385 VanDerWaalsContact O-CD2 3.24Å; V1381-F1385 WeakPolarHBondContact O-CD2 3.39Å; V1381-F1385 PolarHBondContact O-N 2.93Å; Y1382-F1385 PolarHBondContact O-N 3.45Å; Y1382-F1385 VanDerWaalsContact O-N 3.16Å; F1385-S1387 VanDerWaalsContact C-N 3.35Å; F1385-I1388 HydrophobicContact CD1-CD1 4.48Å; F1385-I1388 PolarHBondContact O-N 3.23Å; F1385-I1389 WeakPolarHBondContact O-CD1 3.35Å; F1385-I1389 VanDerWaalsContact O-CG1 3.25Å; F1385-I1389 WeakPolarHBondContact O-CG1 3.18Å; F1385-I1389 PolarHBondContact O-N 2.87Å; F1385-V1411 HydrophobicContact CB-CG1 4.22Å |
| 1386 | D | 92.7 | Very high | 90 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.2 | -166.5 | 53.3 | 0 | 0 | 0 | 111.8 | Y1382 A1383 I1389 S1390 | Y1382-D1386 HydrophobicContact CE1-CB 4.45Å; Y1382-D1386 WeakPolarHBondContact O-CB 3.4Å; Y1382-D1386 PolarHBondContact O-N 2.82Å; A1383-D1386 PolarHBondContact O-N 3.13Å; D1386-I1389 PolarHBondContact O-N 2.85Å; D1386-S1390 VanDerWaalsContact O-CB 3.29Å; D1386-S1390 WeakPolarHBondContact O-CB 3.27Å; D1386-S1390 PolarHBondContact O-N 3.08Å; D1386-S1390 PolarHBondContact O-OG 2.96Å |
| 1387 | S | 92.8 | Very high | 89.6 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -48 | 172.2 | 171 | 0 | 0 | 0 | 0 | 112 | N1353 A1383 A1384 F1385 I1389 S1390 N1391 | N1353-S1387 WeakPolarHBondContact OD1-CB 3.35Å; N1353-S1387 PolarHBondContact OD1-OG 3.29Å; A1383-S1387 WeakPolarHBondContact O-CB 3.36Å; A1383-S1387 PolarHBondContact O-N 2.82Å; A1384-S1387 WeakPolarHBondContact O-CB 3.31Å; A1384-S1387 PolarHBondContact O-N 3.23Å; F1385-S1387 VanDerWaalsContact C-N 3.35Å; S1387-I1389 PolarHBondContact O-N 3.14Å; S1387-S1390 PolarHBondContact O-N 3.43Å; S1387-N1391 WeakPolarHBondContact O-CB 3.38Å; S1387-N1391 PolarHBondContact O-N 3.42Å; S1387-N1391 PolarHBondContact O-ND2 2.83Å |
| 1388 | I | 91.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -51.4 | 176.3 | -69.4 | 165.7 | 0 | 0 | 0 | 110.4 | L1352 N1353 F1357 L1365 A1384 F1385 S1390 N1391 V1392 | L1352-I1388 HydrophobicContact CB-CD1 3.87Å; N1353-I1388 HydrophobicContact CB-CD1 4.17Å; N1353-I1388 HydrophobicContact CB-CG1 3.97Å; F1357-I1388 HydrophobicContact CD1-CG2 4.36Å; F1357-I1388 HydrophobicContact CD2-CG1 4.46Å; F1357-I1388 HydrophobicContact CD2-CG2 3.68Å; F1357-I1388 HydrophobicContact CE1-CG2 4.16Å; F1357-I1388 HydrophobicContact CE2-CB 4.19Å; F1357-I1388 HydrophobicContact CE2-CD1 3.84Å; F1357-I1388 HydrophobicContact CE2-CG1 3.72Å; F1357-I1388 HydrophobicContact CE2-CG2 3.41Å; F1357-I1388 VanDerWaalsContact CE2-CG2 3.41Å; F1357-I1388 HydrophobicContact CG-CG2 4.14Å; F1357-I1388 HydrophobicContact CZ-CD1 3.95Å; F1357-I1388 HydrophobicContact CZ-CG1 4.29Å; F1357-I1388 HydrophobicContact CZ-CG2 3.69Å; L1365-I1388 HydrophobicContact CD2-CG2 4.12Å; A1384-I1388 VanDerWaalsContact O-CG1 3.26Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.17Å; F1385-I1388 HydrophobicContact CD1-CD1 4.48Å; F1385-I1388 PolarHBondContact O-N 3.23Å; I1388-S1390 VanDerWaalsContact C-N 3.33Å; I1388-S1390 PolarHBondContact O-N 3.42Å; I1388-N1391 PolarHBondContact O-N 3.16Å; I1388-V1392 HydrophobicContact CG2-CG2 4.45Å; I1388-V1392 WeakPolarHBondContact O-CG2 3.5Å; I1388-V1392 PolarHBondContact O-N 3.22Å |
| 1389 | I | 90.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | -178.7 | -68.7 | 164.6 | 0 | 0 | 0 | 110.6 | F1385 D1386 S1387 N1391 V1392 K1393 L1404 F1407 E1408 V1411 | F1385-I1389 WeakPolarHBondContact O-CD1 3.35Å; F1385-I1389 VanDerWaalsContact O-CG1 3.25Å; F1385-I1389 WeakPolarHBondContact O-CG1 3.18Å; F1385-I1389 PolarHBondContact O-N 2.87Å; D1386-I1389 PolarHBondContact O-N 2.85Å; S1387-I1389 PolarHBondContact O-N 3.14Å; I1389-N1391 PolarHBondContact O-N 3.41Å; I1389-V1392 PolarHBondContact O-N 3.06Å; I1389-K1393 WeakPolarHBondContact O-CB 3.4Å; I1389-K1393 WeakPolarHBondContact O-CG 3.37Å; I1389-K1393 PolarHBondContact O-N 2.74Å; I1389-L1404 HydrophobicContact CG1-CD1 4.49Å; I1389-L1404 HydrophobicContact CG2-CD1 4.09Å; I1389-L1404 HydrophobicContact CG2-CG 4.34Å; I1389-F1407 HydrophobicContact CD1-CD1 4.1Å; I1389-F1407 HydrophobicContact CD1-CE1 4.07Å; I1389-F1407 HydrophobicContact CG1-CD1 4.07Å; I1389-F1407 HydrophobicContact CG1-CE1 4.03Å; I1389-E1408 HydrophobicContact CD1-CB 4.4Å; I1389-E1408 HydrophobicContact CG2-CB 4Å; I1389-E1408 HydrophobicContact CG2-CG 4.12Å; I1389-V1411 HydrophobicContact CD1-CB 4.39Å; I1389-V1411 HydrophobicContact CD1-CG2 4.22Å |
| 1390 | S | 89.5 | Confident | 88.2 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 178.5 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | D1386 S1387 I1388 | D1386-S1390 VanDerWaalsContact O-CB 3.29Å; D1386-S1390 WeakPolarHBondContact O-CB 3.27Å; D1386-S1390 PolarHBondContact O-N 3.08Å; D1386-S1390 PolarHBondContact O-OG 2.96Å; S1387-S1390 PolarHBondContact O-N 3.43Å; I1388-S1390 VanDerWaalsContact C-N 3.33Å; I1388-S1390 PolarHBondContact O-N 3.42Å |
| 1391 | N | 87.9 | Confident | 88 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.2 | -42.7 | 177.2 | -73.4 | -21.1 | 0 | 0 | 0 | 111.6 | S1387 I1388 I1389 K1393 K1394 | S1387-N1391 WeakPolarHBondContact O-CB 3.38Å; S1387-N1391 PolarHBondContact O-N 3.42Å; S1387-N1391 PolarHBondContact O-ND2 2.83Å; I1388-N1391 PolarHBondContact O-N 3.16Å; I1389-N1391 PolarHBondContact O-N 3.41Å; N1391-K1393 VanDerWaalsContact C-N 3.33Å; N1391-K1393 PolarHBondContact O-N 3.33Å; N1391-K1394 PolarHBondContact O-N 3.2Å |
| 1392 | V | 87.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | F1357 M1362 I1388 I1389 K1394 L1395 I1396 L1404 | F1357-V1392 HydrophobicContact CB-CG2 3.52Å; F1357-V1392 HydrophobicContact CG-CG2 4.13Å; M1362-V1392 HydrophobicContact CG-CG1 4.29Å; I1388-V1392 HydrophobicContact CG2-CG2 4.45Å; I1388-V1392 WeakPolarHBondContact O-CG2 3.5Å; I1388-V1392 PolarHBondContact O-N 3.22Å; I1389-V1392 PolarHBondContact O-N 3.06Å; V1392-K1394 PolarHBondContact O-N 3.35Å; V1392-K1394 VanDerWaalsContact O-N 3.08Å; V1392-L1395 PolarHBondContact O-N 2.78Å; V1392-I1396 HydrophobicContact CG1-CB 4.16Å; V1392-I1396 HydrophobicContact CG1-CD1 3.91Å; V1392-I1396 VanDerWaalsContact O-CB 3.29Å; V1392-I1396 WeakPolarHBondContact O-CB 3.41Å; V1392-I1396 WeakPolarHBondContact O-CG2 3.28Å; V1392-I1396 PolarHBondContact O-N 3.49Å; V1392-L1404 HydrophobicContact CB-CD2 4.32Å; V1392-L1404 HydrophobicContact CG1-CD1 4.31Å; V1392-L1404 HydrophobicContact CG1-CD2 3.89Å |
| 1393 | K | 87.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 27% | 0.27 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55 | -26.2 | 174.8 | -90.1 | -174.7 | 175.5 | 179 | 0 | 113.8 | I1389 N1391 M1401 L1404 E1408 | I1389-K1393 WeakPolarHBondContact O-CB 3.4Å; I1389-K1393 WeakPolarHBondContact O-CG 3.37Å; I1389-K1393 PolarHBondContact O-N 2.74Å; N1391-K1393 VanDerWaalsContact C-N 3.33Å; N1391-K1393 PolarHBondContact O-N 3.33Å; K1393-M1401 VanDerWaalsContact O-CE 3.31Å; K1393-M1401 WeakPolarHBondContact O-CE 3.48Å; K1393-L1404 HydrophobicContact CB-CD2 4.16Å; K1393-L1404 HydrophobicContact CG-CD2 3.4Å; K1393-L1404 VanDerWaalsContact CG-CD2 3.4Å; K1393-L1404 HydrophobicContact CG-CG 4.15Å; K1393-E1408 WeakPolarHBondContact CE-OE2 3.25Å; K1393-E1408 IonicContact NZ-OE1 2.71Å; K1393-E1408 PolarHBondContact NZ-OE1 3.42Å; K1393-E1408 IonicContact NZ-OE2 2.8Å; K1393-E1408 PolarHBondContact NZ-OE2 2.83Å |
| 1394 | K | 85.9 | Confident | 86.8 | Confident | 165 Ų | 165 | 64.6 Ų | 64.6 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79.5 | -24.3 | 179.5 | -65.4 | 170.9 | -173.1 | 165.5 | 0 | 113.1 | N1391 V1392 | N1391-K1394 PolarHBondContact O-N 3.2Å; V1392-K1394 PolarHBondContact O-N 3.35Å; V1392-K1394 VanDerWaalsContact O-N 3.08Å |
| 1395 | L | 82.4 | Confident | 86.7 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -113.6 | -15.4 | -169.6 | -65 | 169.2 | 0 | 0 | 0 | 113.5 | V1392 | V1392-L1395 PolarHBondContact O-N 2.78Å |
| 1396 | I | 82.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -75.9 | 145.2 | -171.1 | -165.9 | 160.4 | 0 | 0 | 0 | 113 | D1359 M1362 V1392 N1400 M1401 L1404 | D1359-I1396 WeakPolarHBondContact OD1-CG1 3.38Å; M1362-I1396 HydrophobicContact CE-CD1 4.27Å; V1392-I1396 HydrophobicContact CG1-CB 4.16Å; V1392-I1396 HydrophobicContact CG1-CD1 3.91Å; V1392-I1396 VanDerWaalsContact O-CB 3.29Å; V1392-I1396 WeakPolarHBondContact O-CB 3.41Å; V1392-I1396 WeakPolarHBondContact O-CG2 3.28Å; V1392-I1396 PolarHBondContact O-N 3.49Å; I1396-N1400 HydrophobicContact CD1-CB 3.58Å; I1396-N1400 HydrophobicContact CG1-CB 3.68Å; I1396-M1401 HydrophobicContact CG2-CE 3.19Å; I1396-M1401 HydrophobicContact CG2-CG 4.12Å; I1396-M1401 HydrophobicContact CG2-SD 3.34Å; I1396-M1401 WeakPolarHBondContact CG2-SD 3.45Å; I1396-L1404 HydrophobicContact CD1-CB 4.34Å; I1396-L1404 HydrophobicContact CD1-CD2 4.01Å; I1396-L1404 HydrophobicContact CG2-CD2 3.92Å | ||
| 1397 | K | 82.7 | Confident | 86.4 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | trans | -69.3 | 149.7 | 177.3 | -67.2 | 178.5 | -178.8 | 175.2 | 0 | 111.7 | D1399 N1400 | K1397-D1399 PolarHBondContact O-N 3.42Å; K1397-D1399 VanDerWaalsContact O-N 3.1Å; K1397-N1400 PolarHBondContact O-N 3.02Å | ||
| 1398 | P | 80.1 | Confident | 86.4 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -52.4 | -37.7 | -178.1 | -25.4 | 32.5 | 0 | 0 | 0 | 113.9 | N1400 M1401 | P1398-N1400 PolarHBondContact O-N 3.49Å; P1398-M1401 WeakPolarHBondContact O-CB 3.4Å; P1398-M1401 PolarHBondContact O-N 3.3Å |
| 1399 | D | 79.5 | Confident | 86.4 | Confident | 151 Ų | 151 | 75 Ų | 75 | 81% | 0.807 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.5 | -25.4 | -177.4 | -60.4 | -19 | 0 | 0 | 0 | 113.7 | K1397 | K1397-D1399 PolarHBondContact O-N 3.42Å; K1397-D1399 VanDerWaalsContact O-N 3.1Å |
| 1400 | N | 80.7 | Confident | 86.4 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -98.5 | -7.9 | -179.3 | -70.1 | -28.5 | 0 | 0 | 0 | 113.4 | D1359 I1396 K1397 P1398 A1402 R1403 L1404 | D1359-N1400 PolarHBondContact OD1-ND2 2.85Å; D1359-N1400 PolarHBondContact OD2-ND2 3.47Å; I1396-N1400 HydrophobicContact CD1-CB 3.58Å; I1396-N1400 HydrophobicContact CG1-CB 3.68Å; K1397-N1400 PolarHBondContact O-N 3.02Å; P1398-N1400 PolarHBondContact O-N 3.49Å; N1400-A1402 VanDerWaalsContact C-N 3.34Å; N1400-A1402 PolarHBondContact O-N 3.43Å; N1400-R1403 PolarHBondContact O-N 3.48Å; N1400-L1404 PolarHBondContact O-N 3.17Å |
| 1401 | M | 86.7 | Confident | 86.6 | Confident | 56 Ų | 56 | 76 Ų | 76 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | -178.5 | -79.8 | -68.3 | -174.5 | 0 | 0 | 113 | K1393 I1396 P1398 R1403 L1404 E1405 | K1393-M1401 VanDerWaalsContact O-CE 3.31Å; K1393-M1401 WeakPolarHBondContact O-CE 3.48Å; I1396-M1401 HydrophobicContact CG2-CE 3.19Å; I1396-M1401 HydrophobicContact CG2-CG 4.12Å; I1396-M1401 HydrophobicContact CG2-SD 3.34Å; I1396-M1401 WeakPolarHBondContact CG2-SD 3.45Å; P1398-M1401 WeakPolarHBondContact O-CB 3.4Å; P1398-M1401 PolarHBondContact O-N 3.3Å; M1401-R1403 VanDerWaalsContact C-N 3.27Å; M1401-R1403 PolarHBondContact O-N 2.88Å; M1401-L1404 WeakPolarHBondContact O-CB 3.3Å; M1401-L1404 PolarHBondContact O-N 3.39Å; M1401-E1405 WeakPolarHBondContact O-CG 3.47Å; M1401-E1405 PolarHBondContact O-N 2.96Å |
| 1402 | A | 86.1 | Confident | 86.8 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 60% | 0.595 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1400 E1406 | N1400-A1402 VanDerWaalsContact C-N 3.34Å; N1400-A1402 PolarHBondContact O-N 3.43Å; A1402-E1406 PolarHBondContact O-N 3.01Å; A1402-E1406 VanDerWaalsContact O-N 3.12Å |
| 1403 | R | 83.2 | Confident | 86.9 | Confident | 150 Ų | 150 | 83 Ų | 83 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -73.2 | -35.8 | 176 | -69.8 | -176.9 | -177.5 | 142.6 | -1 | 111.9 | N1400 M1401 E1406 F1407 | N1400-R1403 PolarHBondContact O-N 3.48Å; M1401-R1403 VanDerWaalsContact C-N 3.27Å; M1401-R1403 PolarHBondContact O-N 2.88Å; R1403-E1406 PolarHBondContact O-N 3.27Å; R1403-F1407 PolarHBondContact O-N 3.47Å |
| 1404 | L | 86.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 177.1 | -174.4 | 60.6 | 0 | 0 | 0 | 111.3 | M1362 I1389 V1392 K1393 I1396 N1400 M1401 F1407 E1408 | M1362-L1404 HydrophobicContact CG-CD1 4.11Å; M1362-L1404 HydrophobicContact SD-CD1 4.15Å; I1389-L1404 HydrophobicContact CG1-CD1 4.49Å; I1389-L1404 HydrophobicContact CG2-CD1 4.09Å; I1389-L1404 HydrophobicContact CG2-CG 4.34Å; V1392-L1404 HydrophobicContact CB-CD2 4.32Å; V1392-L1404 HydrophobicContact CG1-CD1 4.31Å; V1392-L1404 HydrophobicContact CG1-CD2 3.89Å; K1393-L1404 HydrophobicContact CB-CD2 4.16Å; K1393-L1404 HydrophobicContact CG-CD2 3.4Å; K1393-L1404 VanDerWaalsContact CG-CD2 3.4Å; K1393-L1404 HydrophobicContact CG-CG 4.15Å; I1396-L1404 HydrophobicContact CD1-CB 4.34Å; I1396-L1404 HydrophobicContact CD1-CD2 4.01Å; I1396-L1404 HydrophobicContact CG2-CD2 3.92Å; N1400-L1404 PolarHBondContact O-N 3.17Å; M1401-L1404 WeakPolarHBondContact O-CB 3.3Å; M1401-L1404 PolarHBondContact O-N 3.39Å; L1404-F1407 HydrophobicContact CD1-CD1 4.49Å; L1404-F1407 PolarHBondContact O-N 3.42Å; L1404-E1408 WeakPolarHBondContact O-CB 3.47Å; L1404-E1408 PolarHBondContact O-N 3.41Å |
| 1405 | E | 88.6 | Confident | 87.5 | Confident | 107 Ų | 107 | 77 Ų | 77 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 172.9 | -69.1 | 177.4 | 173.1 | 0 | 0 | 112.2 | M1401 T1409 | M1401-E1405 WeakPolarHBondContact O-CG 3.47Å; M1401-E1405 PolarHBondContact O-N 2.96Å; E1405-T1409 WeakPolarHBondContact O-CG2 3.38Å; E1405-T1409 PolarHBondContact O-N 3.48Å; E1405-T1409 PolarHBondContact O-OG1 3.4Å |
| 1406 | E | 90.3 | Very high | 87.9 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 172.3 | -165.1 | -164.8 | 154.9 | 0 | 0 | 111.8 | Y1366 A1402 R1403 T1409 K1410 | Y1366-E1406 VanDerWaalsContact OH-CD 3.31Å; Y1366-E1406 PolarHBondContact OH-OE1 3Å; A1402-E1406 PolarHBondContact O-N 3.01Å; A1402-E1406 VanDerWaalsContact O-N 3.12Å; R1403-E1406 PolarHBondContact O-N 3.27Å; E1406-T1409 WeakPolarHBondContact CA-OG1 3.46Å; E1406-T1409 PolarHBondContact O-OG1 3.14Å; E1406-K1410 PolarHBondContact O-N 2.92Å; E1406-K1410 VanDerWaalsContact O-N 3.1Å; E1406-K1410 IonicContact OE1-NZ 3.15Å; E1406-K1410 PolarHBondContact OE1-NZ 2.6Å |
| 1407 | F | 91.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 176.6 | 178.8 | -136.5 | 0 | 0 | 0 | 111.7 | M1362 L1365 Y1366 L1369 I1389 R1403 L1404 T1409 K1410 V1411 | M1362-F1407 HydrophobicContact SD-CD1 4.37Å; L1365-F1407 HydrophobicContact CD2-CE1 3.97Å; L1365-F1407 HydrophobicContact CD2-CZ 4.06Å; L1365-F1407 HydrophobicContact CG-CE1 4.43Å; L1365-F1407 HydrophobicContact CG-CZ 4.13Å; Y1366-F1407 HydrophobicContact CD2-CB 3.96Å; Y1366-F1407 AromaticContact CD2-CD2 3.15Å; Y1366-F1407 HydrophobicContact CD2-CD2 3.15Å; Y1366-F1407 AromaticContact CD2-CE2 3.79Å; Y1366-F1407 HydrophobicContact CD2-CE2 3.79Å; Y1366-F1407 AromaticContact CD2-CG 3.78Å; Y1366-F1407 HydrophobicContact CD2-CG 3.78Å; Y1366-F1407 HydrophobicContact CE2-CB 4.19Å; Y1366-F1407 AromaticContact CE2-CD2 3.79Å; Y1366-F1407 HydrophobicContact CE2-CD2 3.79Å; Y1366-F1407 HydrophobicContact CE2-CG 4.38Å; Y1366-F1407 HydrophobicContact CG-CB 4.28Å; Y1366-F1407 AromaticContact CG-CD2 3.92Å; Y1366-F1407 HydrophobicContact CG-CD2 3.92Å; Y1366-F1407 HydrophobicContact CG-CE2 4.49Å; Y1366-F1407 HydrophobicContact CG-CG 4.17Å; L1369-F1407 HydrophobicContact CD1-CE2 4.22Å; I1389-F1407 HydrophobicContact CD1-CD1 4.1Å; I1389-F1407 HydrophobicContact CD1-CE1 4.07Å; I1389-F1407 HydrophobicContact CG1-CD1 4.07Å; I1389-F1407 HydrophobicContact CG1-CE1 4.03Å; R1403-F1407 PolarHBondContact O-N 3.47Å; L1404-F1407 HydrophobicContact CD1-CD1 4.49Å; L1404-F1407 PolarHBondContact O-N 3.42Å; F1407-T1409 VanDerWaalsContact C-N 3.34Å; F1407-T1409 PolarHBondContact O-N 3.27Å; F1407-K1410 PolarHBondContact O-N 3.25Å; F1407-V1411 HydrophobicContact CD2-CG2 3.83Å; F1407-V1411 HydrophobicContact CE1-CG2 4.44Å; F1407-V1411 HydrophobicContact CE2-CG2 3.47Å; F1407-V1411 VanDerWaalsContact CE2-CG2 3.47Å; F1407-V1411 HydrophobicContact CZ-CG2 3.81Å; F1407-V1411 WeakPolarHBondContact O-CG2 3.44Å; F1407-V1411 PolarHBondContact O-N 3Å |
| 1408 | E | 92.4 | Very high | 88.3 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.3 | -177.3 | -175.1 | -147.8 | 0 | 0 | 112.2 | I1389 K1393 L1404 K1410 V1411 K1412 | I1389-E1408 HydrophobicContact CD1-CB 4.4Å; I1389-E1408 HydrophobicContact CG2-CB 4Å; I1389-E1408 HydrophobicContact CG2-CG 4.12Å; K1393-E1408 WeakPolarHBondContact CE-OE2 3.25Å; K1393-E1408 IonicContact NZ-OE1 2.71Å; K1393-E1408 PolarHBondContact NZ-OE1 3.42Å; K1393-E1408 IonicContact NZ-OE2 2.8Å; K1393-E1408 PolarHBondContact NZ-OE2 2.83Å; L1404-E1408 WeakPolarHBondContact O-CB 3.47Å; L1404-E1408 PolarHBondContact O-N 3.41Å; E1408-K1410 PolarHBondContact O-N 3.45Å; E1408-V1411 PolarHBondContact O-N 3.32Å; E1408-K1412 WeakPolarHBondContact O-CB 3.04Å; E1408-K1412 PolarHBondContact O-N 2.83Å |
| 1409 | T | 92.3 | Very high | 88.6 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.4 | 42.7 | 0 | 0 | 0 | 0 | 112.3 | E1405 E1406 F1407 K1412 E1413 | E1405-T1409 WeakPolarHBondContact O-CG2 3.38Å; E1405-T1409 PolarHBondContact O-N 3.48Å; E1405-T1409 PolarHBondContact O-OG1 3.4Å; E1406-T1409 WeakPolarHBondContact CA-OG1 3.46Å; E1406-T1409 PolarHBondContact O-OG1 3.14Å; F1407-T1409 VanDerWaalsContact C-N 3.34Å; F1407-T1409 PolarHBondContact O-N 3.27Å; T1409-K1412 PolarHBondContact O-N 2.95Å; T1409-E1413 WeakPolarHBondContact O-CB 3.48Å; T1409-E1413 PolarHBondContact O-N 3.3Å |
| 1410 | K | 91.2 | Very high | 88.8 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 30% | 0.296 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.9 | -81.7 | 172.2 | 168.5 | 161.4 | 0 | 112.8 | Y1366 L1369 E1406 F1407 E1408 K1412 E1413 F1414 | Y1366-K1410 HydrophobicContact CE2-CD 3.74Å; Y1366-K1410 WeakPolarHBondContact OH-CD 3.19Å; Y1366-K1410 PolarHBondContact OH-NZ 3.49Å; L1369-K1410 HydrophobicContact CD2-CB 4Å; L1369-K1410 HydrophobicContact CD2-CD 4.42Å; E1406-K1410 PolarHBondContact O-N 2.92Å; E1406-K1410 VanDerWaalsContact O-N 3.1Å; E1406-K1410 IonicContact OE1-NZ 3.15Å; E1406-K1410 PolarHBondContact OE1-NZ 2.6Å; F1407-K1410 PolarHBondContact O-N 3.25Å; E1408-K1410 PolarHBondContact O-N 3.45Å; K1410-K1412 VanDerWaalsContact C-N 3.29Å; K1410-K1412 PolarHBondContact O-N 3.11Å; K1410-E1413 PolarHBondContact O-N 3.07Å; K1410-F1414 WeakPolarHBondContact O-CD2 3.32Å; K1410-F1414 PolarHBondContact O-N 3.28Å |
| 1411 | V | 92.8 | Very high | 89 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L1369 L1376 Y1382 F1385 I1389 F1407 E1408 F1414 H1415 | L1369-V1411 HydrophobicContact CD1-CG2 4.31Å; L1376-V1411 HydrophobicContact CD1-CG1 4.2Å; L1376-V1411 HydrophobicContact CD2-CG1 4.29Å; Y1382-V1411 HydrophobicContact CD2-CG1 4.08Å; Y1382-V1411 HydrophobicContact CE2-CG1 4.03Å; F1385-V1411 HydrophobicContact CB-CG1 4.22Å; I1389-V1411 HydrophobicContact CD1-CB 4.39Å; I1389-V1411 HydrophobicContact CD1-CG2 4.22Å; F1407-V1411 HydrophobicContact CD2-CG2 3.83Å; F1407-V1411 HydrophobicContact CE1-CG2 4.44Å; F1407-V1411 HydrophobicContact CE2-CG2 3.47Å; F1407-V1411 VanDerWaalsContact CE2-CG2 3.47Å; F1407-V1411 HydrophobicContact CZ-CG2 3.81Å; F1407-V1411 WeakPolarHBondContact O-CG2 3.44Å; F1407-V1411 PolarHBondContact O-N 3Å; E1408-V1411 PolarHBondContact O-N 3.32Å; V1411-F1414 PolarHBondContact O-N 3.16Å; V1411-H1415 WeakPolarHBondContact O-CB 3.28Å; V1411-H1415 PolarHBondContact O-N 3.24Å |
| 1412 | K | 91.6 | Very high | 88.7 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.3 | -170 | 175.9 | 179.4 | 178 | 0 | 113 | E1408 T1409 K1410 F1414 H1415 E1416 | E1408-K1412 WeakPolarHBondContact O-CB 3.04Å; E1408-K1412 PolarHBondContact O-N 2.83Å; T1409-K1412 PolarHBondContact O-N 2.95Å; K1410-K1412 VanDerWaalsContact C-N 3.29Å; K1410-K1412 PolarHBondContact O-N 3.11Å; K1412-F1414 PolarHBondContact O-N 3.02Å; K1412-H1415 PolarHBondContact O-N 3.26Å; K1412-E1416 WeakPolarHBondContact CE-OE1 3.45Å; K1412-E1416 WeakPolarHBondContact O-CG 3.48Å; K1412-E1416 PolarHBondContact O-N 3.13Å |
| 1413 | E | 91.3 | Very high | 88.5 | Confident | 127 Ų | 127 | 70 Ų | 70 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 176.5 | -172.9 | -173.4 | 167 | 0 | 0 | 111.7 | T1409 K1410 E1416 K1417 | T1409-E1413 WeakPolarHBondContact O-CB 3.48Å; T1409-E1413 PolarHBondContact O-N 3.3Å; K1410-E1413 PolarHBondContact O-N 3.07Å; E1413-E1416 PolarHBondContact O-N 3.29Å; E1413-K1417 VanDerWaalsContact O-CB 3.24Å; E1413-K1417 WeakPolarHBondContact O-CB 3.44Å; E1413-K1417 PolarHBondContact O-N 3.17Å |
| 1414 | F | 91.4 | Very high | 88.4 | Confident | 76 Ų | 76 | 65 Ų | 65 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 177.1 | -80.8 | -65.7 | 0 | 0 | 0 | 112.5 | L1369 A1373 L1376 K1410 V1411 K1412 G1418 | L1369-F1414 HydrophobicContact CD1-CD2 4.31Å; L1369-F1414 HydrophobicContact CD2-CD2 4.05Å; L1369-F1414 HydrophobicContact CD2-CE2 3.73Å; L1369-F1414 HydrophobicContact CG-CD2 4.36Å; L1369-F1414 HydrophobicContact CG-CE2 4.17Å; A1373-F1414 HydrophobicContact CB-CD1 3.94Å; A1373-F1414 HydrophobicContact CB-CD2 4.33Å; A1373-F1414 HydrophobicContact CB-CE1 4.07Å; A1373-F1414 HydrophobicContact CB-CE2 4.47Å; A1373-F1414 HydrophobicContact CB-CG 4.1Å; A1373-F1414 HydrophobicContact CB-CZ 4.34Å; L1376-F1414 HydrophobicContact CD1-CB 3.77Å; K1410-F1414 WeakPolarHBondContact O-CD2 3.32Å; K1410-F1414 PolarHBondContact O-N 3.28Å; V1411-F1414 PolarHBondContact O-N 3.16Å; K1412-F1414 PolarHBondContact O-N 3.02Å; F1414-G1418 PolarHBondContact O-N 3.16Å |
| 1415 | H | 92.9 | Very high | 88.2 | Confident | 25 Ų | 25 | 69 Ų | 69 | 12% | 0.116 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -52.4 | 174.1 | 175.8 | 68.7 | 0 | 0 | 0 | 111.9 | L1376 Q1379 Y1382 V1411 K1412 K1417 G1418 V1419 | L1376-H1415 PolarHBondContact O-ND1 2.72Å; Q1379-H1415 PolarHBondContact OE1-CE1 2.8Å; Y1382-H1415 HydrophobicContact CD2-CB 3.42Å; Y1382-H1415 VanDerWaalsContact CD2-CB 3.42Å; Y1382-H1415 AromaticContact CD2-CD2 3.97Å; Y1382-H1415 AromaticContact CD2-CG 3.45Å; Y1382-H1415 VanDerWaalsContact CD2-CG 3.45Å; Y1382-H1415 AromaticContact CD2-ND1 3.81Å; Y1382-H1415 HydrophobicContact CE2-CB 3.68Å; Y1382-H1415 AromaticContact CE2-CD2 4Å; Y1382-H1415 AromaticContact CE2-CG 3.82Å; Y1382-H1415 HydrophobicContact CG-CB 4.12Å; Y1382-H1415 AromaticContact CG-CD2 4Å; Y1382-H1415 AromaticContact CG-CE1 3.87Å; Y1382-H1415 AromaticContact CG-CG 3.63Å; Y1382-H1415 AromaticContact CG-ND1 3.55Å; V1411-H1415 WeakPolarHBondContact O-CB 3.28Å; V1411-H1415 PolarHBondContact O-N 3.24Å; K1412-H1415 PolarHBondContact O-N 3.26Å; H1415-K1417 VanDerWaalsContact C-N 3.32Å; H1415-K1417 PolarHBondContact O-N 3.05Å; H1415-G1418 PolarHBondContact O-N 3.08Å; H1415-G1418 VanDerWaalsContact O-N 3.17Å; H1415-V1419 WeakPolarHBondContact O-CG2 3.26Å; H1415-V1419 PolarHBondContact O-N 3.37Å |
| 1416 | E | 90.5 | Very high | 87.8 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | -180 | -72.8 | 178.4 | -174.7 | 0 | 0 | 111.9 | K1412 E1413 A1420 | K1412-E1416 WeakPolarHBondContact CE-OE1 3.45Å; K1412-E1416 WeakPolarHBondContact O-CG 3.48Å; K1412-E1416 PolarHBondContact O-N 3.13Å; E1413-E1416 PolarHBondContact O-N 3.29Å; E1416-A1420 VanDerWaalsContact O-CB 3.26Å; E1416-A1420 WeakPolarHBondContact O-CB 3.45Å; E1416-A1420 PolarHBondContact O-N 3.09Å |
| 1417 | K | 88.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 75.3 Ų | 75.3 | 53% | 0.53 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.5 | -173.7 | 178.7 | 178.7 | -178.9 | 0 | 111.8 | E1413 H1415 A1420 D1421 | E1413-K1417 VanDerWaalsContact O-CB 3.24Å; E1413-K1417 WeakPolarHBondContact O-CB 3.44Å; E1413-K1417 PolarHBondContact O-N 3.17Å; H1415-K1417 VanDerWaalsContact C-N 3.32Å; H1415-K1417 PolarHBondContact O-N 3.05Å; K1417-A1420 PolarHBondContact O-N 3.23Å; K1417-D1421 WeakPolarHBondContact O-CB 3.28Å; K1417-D1421 PolarHBondContact O-N 2.86Å |
| 1418 | G | 86.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 78 Ų | 78 | 19% | 0.186 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1414 H1415 D1421 E1422 | F1414-G1418 PolarHBondContact O-N 3.16Å; H1415-G1418 PolarHBondContact O-N 3.08Å; H1415-G1418 VanDerWaalsContact O-N 3.17Å; G1418-D1421 PolarHBondContact O-N 3.4Å; G1418-E1422 WeakPolarHBondContact O-CB 3.46Å; G1418-E1422 PolarHBondContact O-N 2.84Å |
| 1419 | V | 86.5 | Confident | 85.7 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | H1415 E1422 A1423 | H1415-V1419 WeakPolarHBondContact O-CG2 3.26Å; H1415-V1419 PolarHBondContact O-N 3.37Å; V1419-E1422 PolarHBondContact O-N 3.49Å; V1419-A1423 WeakPolarHBondContact O-CB 3.4Å; V1419-A1423 PolarHBondContact O-N 2.92Å |
| 1420 | A | 83.5 | Confident | 84.9 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1416 K1417 A1424 | E1416-A1420 VanDerWaalsContact O-CB 3.26Å; E1416-A1420 WeakPolarHBondContact O-CB 3.45Å; E1416-A1420 PolarHBondContact O-N 3.09Å; K1417-A1420 PolarHBondContact O-N 3.23Å; A1420-A1424 VanDerWaalsContact O-CB 3.29Å; A1420-A1424 WeakPolarHBondContact O-CB 3.32Å; A1420-A1424 PolarHBondContact O-N 3.31Å |
| 1421 | D | 83.8 | Confident | 84 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 176 | -76.6 | -18 | 0 | 0 | 0 | 111 | K1417 G1418 A1423 A1424 V1425 | K1417-D1421 WeakPolarHBondContact O-CB 3.28Å; K1417-D1421 PolarHBondContact O-N 2.86Å; G1418-D1421 PolarHBondContact O-N 3.4Å; D1421-A1423 PolarHBondContact O-N 3.23Å; D1421-A1424 CarbonylContact O-C 3.57Å; D1421-A1424 WeakPolarHBondContact O-CB 3.25Å; D1421-A1424 PolarHBondContact O-N 2.63Å; D1421-A1424 VanDerWaalsContact O-N 3.14Å; D1421-V1425 WeakPolarHBondContact O-CG2 3.46Å; D1421-V1425 PolarHBondContact O-N 3.02Å |
| 1422 | E | 81.1 | Confident | 83 | Confident | 87 Ų | 87 | 82.7 Ų | 82.7 | 41% | 0.407 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.7 | -153.8 | -159.2 | 160.9 | 0 | 0 | 111.7 | G1418 V1419 A1424 V1425 R1426 | G1418-E1422 WeakPolarHBondContact O-CB 3.46Å; G1418-E1422 PolarHBondContact O-N 2.84Å; V1419-E1422 PolarHBondContact O-N 3.49Å; E1422-A1424 VanDerWaalsContact C-N 3.31Å; E1422-A1424 PolarHBondContact O-N 3.17Å; E1422-V1425 PolarHBondContact O-N 3.26Å; E1422-R1426 PolarHBondContact O-N 2.7Å |
| 1423 | A | 82 | Confident | 82.1 | Confident | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1419 D1421 R1427 | V1419-A1423 WeakPolarHBondContact O-CB 3.4Å; V1419-A1423 PolarHBondContact O-N 2.92Å; D1421-A1423 PolarHBondContact O-N 3.23Å; A1423-R1427 VanDerWaalsContact O-CB 3.26Å; A1423-R1427 WeakPolarHBondContact O-CB 3.19Å; A1423-R1427 WeakPolarHBondContact O-CG 3.49Å; A1423-R1427 PolarHBondContact O-N 3.21Å; A1423-R1427 PolarHBondContact O-NE 3.38Å |
| 1424 | A | 80.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1420 D1421 E1422 R1427 A1428 | A1420-A1424 VanDerWaalsContact O-CB 3.29Å; A1420-A1424 WeakPolarHBondContact O-CB 3.32Å; A1420-A1424 PolarHBondContact O-N 3.31Å; D1421-A1424 CarbonylContact O-C 3.57Å; D1421-A1424 WeakPolarHBondContact O-CB 3.25Å; D1421-A1424 PolarHBondContact O-N 2.63Å; D1421-A1424 VanDerWaalsContact O-N 3.14Å; E1422-A1424 VanDerWaalsContact C-N 3.31Å; E1422-A1424 PolarHBondContact O-N 3.17Å; A1424-R1427 PolarHBondContact O-N 2.9Å; A1424-A1428 VanDerWaalsContact O-CB 3.23Å; A1424-A1428 WeakPolarHBondContact O-CB 3.41Å; A1424-A1428 PolarHBondContact O-N 3.4Å |
| 1425 | V | 82.1 | Confident | 79.9 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 52% | 0.521 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 173.6 | 173 | 0 | 0 | 0 | 0 | 110.4 | D1421 E1422 R1427 A1428 E1429 | D1421-V1425 WeakPolarHBondContact O-CG2 3.46Å; D1421-V1425 PolarHBondContact O-N 3.02Å; E1422-V1425 PolarHBondContact O-N 3.26Å; V1425-R1427 PolarHBondContact O-N 2.95Å; V1425-A1428 CarbonylContact O-C 3.58Å; V1425-A1428 PolarHBondContact O-N 3.27Å; V1425-A1428 VanDerWaalsContact O-N 3.15Å; V1425-E1429 HydrophobicContact CG1-CG 4.45Å; V1425-E1429 WeakPolarHBondContact O-CB 3.33Å; V1425-E1429 WeakPolarHBondContact O-CG 3.4Å; V1425-E1429 PolarHBondContact O-N 3.36Å |
| 1426 | R | 79.7 | Confident | 78.5 | Confident | 158 Ų | 158 | 86.2 Ų | 86.2 | 60% | 0.596 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 173.8 | -99.9 | -174.3 | -179.7 | 141.3 | 0 | 112 | E1422 A1428 E1429 I1430 | E1422-R1426 PolarHBondContact O-N 2.7Å; R1426-A1428 VanDerWaalsContact C-N 3.34Å; R1426-A1428 PolarHBondContact O-N 2.71Å; R1426-E1429 PolarHBondContact O-N 2.9Å; R1426-I1430 WeakPolarHBondContact O-CB 3.49Å; R1426-I1430 WeakPolarHBondContact O-CD1 3.4Å; R1426-I1430 WeakPolarHBondContact O-CG1 3.25Å; R1426-I1430 PolarHBondContact O-N 2.89Å |
| 1427 | R | 78.2 | Confident | 77.1 | Confident | 167 Ų | 167 | 87 Ų | 87 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 175.5 | -78.2 | -178.5 | -67.1 | 178.5 | -0.4 | 111.8 | A1423 A1424 V1425 A1431 | A1423-R1427 VanDerWaalsContact O-CB 3.26Å; A1423-R1427 WeakPolarHBondContact O-CB 3.19Å; A1423-R1427 WeakPolarHBondContact O-CG 3.49Å; A1423-R1427 PolarHBondContact O-N 3.21Å; A1423-R1427 PolarHBondContact O-NE 3.38Å; A1424-R1427 PolarHBondContact O-N 2.9Å; V1425-R1427 PolarHBondContact O-N 2.95Å; R1427-A1431 WeakPolarHBondContact O-CB 3.42Å; R1427-A1431 PolarHBondContact O-N 2.94Å |
| 1428 | A | 75.4 | Confident | 75.7 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1424 V1425 R1426 A1431 A1432 | A1424-A1428 VanDerWaalsContact O-CB 3.23Å; A1424-A1428 WeakPolarHBondContact O-CB 3.41Å; A1424-A1428 PolarHBondContact O-N 3.4Å; V1425-A1428 CarbonylContact O-C 3.58Å; V1425-A1428 PolarHBondContact O-N 3.27Å; V1425-A1428 VanDerWaalsContact O-N 3.15Å; R1426-A1428 VanDerWaalsContact C-N 3.34Å; R1426-A1428 PolarHBondContact O-N 2.71Å; A1428-A1431 PolarHBondContact O-N 3.04Å; A1428-A1432 WeakPolarHBondContact O-CB 3.22Å; A1428-A1432 PolarHBondContact O-N 3.06Å |
| 1429 | E | 76.4 | Confident | 74.1 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 173.6 | -77.2 | -164.5 | 165.2 | 0 | 0 | 112 | V1425 R1426 A1431 A1432 K1433 | V1425-E1429 HydrophobicContact CG1-CG 4.45Å; V1425-E1429 WeakPolarHBondContact O-CB 3.33Å; V1425-E1429 WeakPolarHBondContact O-CG 3.4Å; V1425-E1429 PolarHBondContact O-N 3.36Å; R1426-E1429 PolarHBondContact O-N 2.9Å; E1429-A1431 VanDerWaalsContact C-N 3.34Å; E1429-A1432 PolarHBondContact O-N 3.41Å; E1429-K1433 VanDerWaalsContact O-CB 3.29Å; E1429-K1433 WeakPolarHBondContact O-CB 3.43Å; E1429-K1433 VanDerWaalsContact O-CG 3.27Å; E1429-K1433 WeakPolarHBondContact O-CG 3.39Å; E1429-K1433 PolarHBondContact O-N 2.99Å |
| 1430 | I | 76 | Confident | 72.5 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.4 | -67.3 | 164 | 0 | 0 | 0 | 109.5 | R1426 K1433 T1434 | R1426-I1430 WeakPolarHBondContact O-CB 3.49Å; R1426-I1430 WeakPolarHBondContact O-CD1 3.4Å; R1426-I1430 WeakPolarHBondContact O-CG1 3.25Å; R1426-I1430 PolarHBondContact O-N 2.89Å; I1430-K1433 PolarHBondContact O-N 2.8Å; I1430-T1434 WeakPolarHBondContact O-CB 3.33Å; I1430-T1434 PolarHBondContact O-N 3.48Å; I1430-T1434 PolarHBondContact O-OG1 3.05Å |
| 1431 | A | 72.9 | Confident | 71.1 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1427 A1428 E1429 T1434 A1435 | R1427-A1431 WeakPolarHBondContact O-CB 3.42Å; R1427-A1431 PolarHBondContact O-N 2.94Å; A1428-A1431 PolarHBondContact O-N 3.04Å; E1429-A1431 VanDerWaalsContact C-N 3.34Å; A1431-T1434 VanDerWaalsContact CA-OG1 3.23Å; A1431-T1434 WeakPolarHBondContact CA-OG1 3.33Å; A1431-T1434 PolarHBondContact O-OG1 3.48Å; A1431-A1435 WeakPolarHBondContact O-CA 3.46Å; A1431-A1435 WeakPolarHBondContact O-CB 3.39Å; A1431-A1435 PolarHBondContact O-N 3.11Å |
| 1432 | A | 71.5 | Confident | 69.5 | Low | 50 Ų | 50 | 102.9 Ų | 102.9 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.6 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1428 E1429 K1436 | A1428-A1432 WeakPolarHBondContact O-CB 3.22Å; A1428-A1432 PolarHBondContact O-N 3.06Å; E1429-A1432 PolarHBondContact O-N 3.41Å; A1432-K1436 VanDerWaalsContact O-CB 3.26Å; A1432-K1436 WeakPolarHBondContact O-CB 3.12Å; A1432-K1436 VanDerWaalsContact O-CG 3.29Å; A1432-K1436 WeakPolarHBondContact O-CG 3.38Å; A1432-K1436 PolarHBondContact O-N 3.33Å |
| 1433 | K | 73.4 | Confident | 67.7 | Low | 136 Ų | 136 | 107.8 Ų | 107.8 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 173 | -76.6 | 172.5 | 179.8 | 168.4 | 0 | 110.5 | E1429 I1430 K1436 Q1437 | E1429-K1433 VanDerWaalsContact O-CB 3.29Å; E1429-K1433 WeakPolarHBondContact O-CB 3.43Å; E1429-K1433 VanDerWaalsContact O-CG 3.27Å; E1429-K1433 WeakPolarHBondContact O-CG 3.39Å; E1429-K1433 PolarHBondContact O-N 2.99Å; I1430-K1433 PolarHBondContact O-N 2.8Å; K1433-K1436 PolarHBondContact O-N 3.03Å; K1433-Q1437 WeakPolarHBondContact O-CG 3.42Å; K1433-Q1437 PolarHBondContact O-N 2.9Å |
| 1434 | T | 72.3 | Confident | 65.9 | Low | 61 Ų | 61 | 110.4 Ų | 110.4 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.7 | -35.2 | 176.4 | 44.6 | 0 | 0 | 0 | 0 | 113 | I1430 A1431 Q1437 R1438 | I1430-T1434 WeakPolarHBondContact O-CB 3.33Å; I1430-T1434 PolarHBondContact O-N 3.48Å; I1430-T1434 PolarHBondContact O-OG1 3.05Å; A1431-T1434 VanDerWaalsContact CA-OG1 3.23Å; A1431-T1434 WeakPolarHBondContact CA-OG1 3.33Å; A1431-T1434 PolarHBondContact O-OG1 3.48Å; T1434-Q1437 CarbonylContact O-C 3.59Å; T1434-Q1437 PolarHBondContact O-N 3.23Å; T1434-R1438 WeakPolarHBondContact O-CB 3.35Å; T1434-R1438 PolarHBondContact O-N 3.38Å |
| 1435 | A | 63.5 | Low | 64.1 | Low | 54 Ų | 54 | 111.9 Ų | 111.9 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1431 Q1437 R1438 S1439 | A1431-A1435 WeakPolarHBondContact O-CA 3.46Å; A1431-A1435 WeakPolarHBondContact O-CB 3.39Å; A1431-A1435 PolarHBondContact O-N 3.11Å; A1435-Q1437 VanDerWaalsContact C-N 3.31Å; A1435-Q1437 PolarHBondContact O-N 3.27Å; A1435-R1438 PolarHBondContact O-N 3.01Å; A1435-S1439 WeakPolarHBondContact O-CB 3.43Å; A1435-S1439 PolarHBondContact O-N 3.42Å |
| 1436 | K | 64.4 | Low | 62.1 | Low | 159 Ų | 159 | 116.4 Ų | 116.4 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -35.5 | 169.8 | -81.2 | 177.1 | 177.9 | 174.6 | 0 | 111.8 | A1432 K1433 R1440 | A1432-K1436 VanDerWaalsContact O-CB 3.26Å; A1432-K1436 WeakPolarHBondContact O-CB 3.12Å; A1432-K1436 VanDerWaalsContact O-CG 3.29Å; A1432-K1436 WeakPolarHBondContact O-CG 3.38Å; A1432-K1436 PolarHBondContact O-N 3.33Å; K1433-K1436 PolarHBondContact O-N 3.03Å; K1436-R1440 PolarHBondContact O-N 3.35Å |
| 1437 | Q | 61.4 | Low | 59.8 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.7 | -46 | 172.9 | -75.9 | 177.6 | -15.8 | 0 | 0 | 112.7 | K1433 T1434 A1435 R1440 N1441 | K1433-Q1437 WeakPolarHBondContact O-CG 3.42Å; K1433-Q1437 PolarHBondContact O-N 2.9Å; T1434-Q1437 CarbonylContact O-C 3.59Å; T1434-Q1437 PolarHBondContact O-N 3.23Å; A1435-Q1437 VanDerWaalsContact C-N 3.31Å; A1435-Q1437 PolarHBondContact O-N 3.27Å; Q1437-R1440 WeakPolarHBondContact O-CA 3.44Å; Q1437-R1440 WeakPolarHBondContact O-CB 3.22Å; Q1437-R1440 PolarHBondContact O-N 2.59Å; Q1437-R1440 VanDerWaalsContact O-N 3.15Å; Q1437-N1441 PolarHBondContact O-N 3.35Å |
| 1438 | R | 58 | Low | 57.7 | Low | 195 Ų | 195 | 111.5 Ų | 111.5 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 177.5 | -80.5 | -177.3 | 168.4 | 178.2 | -2.5 | 112.5 | T1434 A1435 R1440 N1441 N1442 | T1434-R1438 WeakPolarHBondContact O-CB 3.35Å; T1434-R1438 PolarHBondContact O-N 3.38Å; A1435-R1438 PolarHBondContact O-N 3.01Å; R1438-R1440 VanDerWaalsContact C-N 3.26Å; R1438-R1440 PolarHBondContact O-N 3.08Å; R1438-N1441 PolarHBondContact O-N 3.31Å; R1438-N1441 VanDerWaalsContact O-N 3.16Å; R1438-N1442 PolarHBondContact O-N 3.26Å |
| 1439 | S | 54 | Low | 55.7 | Low | 75 Ų | 75 | 116 Ų | 116 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -32.3 | 172.2 | 173.1 | 0 | 0 | 0 | 0 | 112 | A1435 R1443 | A1435-S1439 WeakPolarHBondContact O-CB 3.43Å; A1435-S1439 PolarHBondContact O-N 3.42Å; S1439-R1443 PolarHBondContact O-N 3.16Å |
| 1440 | R | 52.7 | Low | 53.5 | Low | 162 Ų | 162 | 117 Ų | 117 | 61% | 0.611 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.2 | -39.3 | 170.2 | -89.7 | 179.1 | 162.3 | 166 | -3.5 | 112.2 | K1436 Q1437 R1438 T1467 | K1436-R1440 PolarHBondContact O-N 3.35Å; Q1437-R1440 WeakPolarHBondContact O-CA 3.44Å; Q1437-R1440 WeakPolarHBondContact O-CB 3.22Å; Q1437-R1440 PolarHBondContact O-N 2.59Å; Q1437-R1440 VanDerWaalsContact O-N 3.15Å; R1438-R1440 VanDerWaalsContact C-N 3.26Å; R1438-R1440 PolarHBondContact O-N 3.08Å; R1440-T1467 PolarHBondContact NH2-OG1 3.12Å |
| 1441 | N | 53.4 | Low | 51.3 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75 | -43.2 | 178.4 | -87.8 | 18.1 | 0 | 0 | 0 | 114.1 | Q1437 R1438 R1443 A1444 | Q1437-N1441 PolarHBondContact O-N 3.35Å; R1438-N1441 PolarHBondContact O-N 3.31Å; R1438-N1441 VanDerWaalsContact O-N 3.16Å; N1441-R1443 VanDerWaalsContact C-N 3.27Å; N1441-R1443 PolarHBondContact O-N 3.26Å; N1441-A1444 WeakPolarHBondContact O-CB 3.25Å; N1441-A1444 PolarHBondContact O-N 2.87Å |
| 1442 | N | 51.4 | Low | 49.5 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.3 | -16.7 | -178.7 | -86.4 | 4.7 | 0 | 0 | 0 | 113.7 | R1438 A1444 S1445 | R1438-N1442 PolarHBondContact O-N 3.26Å; N1442-A1444 PolarHBondContact O-N 3.3Å; N1442-S1445 PolarHBondContact O-N 3.15Å |
| 1443 | R | 42.6 | Very low | 47.4 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -10.6 | 168.6 | -118.4 | 177.2 | 179.9 | 165.2 | 1.4 | 113.2 | S1439 N1441 | S1439-R1443 PolarHBondContact O-N 3.16Å; N1441-R1443 VanDerWaalsContact C-N 3.27Å; N1441-R1443 PolarHBondContact O-N 3.26Å |
| 1444 | A | 43.2 | Very low | 45.3 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -15.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | N1441 N1442 | N1441-A1444 WeakPolarHBondContact O-CB 3.25Å; N1441-A1444 PolarHBondContact O-N 2.87Å; N1442-A1444 PolarHBondContact O-N 3.3Å |
| 1445 | S | 43.3 | Very low | 43.4 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 52% | 0.517 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.7 | -2.4 | -163.4 | 57.4 | 0 | 0 | 0 | 0 | 118.4 | N1442 | N1442-S1445 PolarHBondContact O-N 3.15Š|
| 1446 | H | 40.7 | Very low | 41.5 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -129 | 85.4 | 176.4 | -85.7 | 32.2 | 0 | 0 | 0 | 112.9 | ||||
| 1447 | S | 31 | Very low | 39.8 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -115.8 | 87.7 | 156.3 | 65.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1448 | S | 33.9 | Very low | 38.2 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 177.6 | 143.1 | 156.3 | 33.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1449 | N | 34.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 76.2 | 99.3 | 173.1 | -58.2 | -11.4 | 0 | 0 | 0 | 115.7 | ||||
| 1450 | V | 29.4 | Very low | 35.4 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | 78.7 | 127.4 | 55.7 | -177.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1451 | T | 30.3 | Very low | 34.1 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | 78.4 | 113.3 | 166.3 | 45.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1452 | G | 33.9 | Very low | 33.2 | Very low | 81 Ų | 81 | 147 Ų | 147 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 170.4 | 121.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1453 | N | 28.9 | Very low | 32 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -72.2 | 160 | -160.1 | -167 | 17.2 | 0 | 0 | 0 | 116.1 | ||||
| 1454 | N | 29.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -52.1 | 133.5 | -179.1 | -75.6 | -50.4 | 0 | 0 | 0 | 116.2 | ||||
| 1455 | N | 30.9 | Very low | 30.6 | Very low | 164 Ų | 164 | 155.7 Ų | 155.7 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | -152.1 | 140.5 | 126.7 | -110.8 | -18.9 | 0 | 0 | 0 | 112.2 | |||||
| 1456 | K | 25.2 | Very low | 29.9 | Very low | 194 Ų | 194 | 158.9 Ų | 158.9 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -64.5 | 144.5 | -171.4 | -70.6 | 165.6 | 172.5 | 171.4 | 0 | 112.6 | ||||
| 1457 | V | 28 | Very low | 29.2 | Very low | 128 Ų | 128 | 155 Ų | 155 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | 178.8 | 128.6 | 117.9 | 152.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1458 | T | 27.2 | Very low | 29.1 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | 54.2 | 96.6 | 161.8 | 51.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1459 | R | 23.4 | Very low | 28.8 | Very low | 241 Ų | 241 | 161.6 Ų | 161.6 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -78.6 | 139.4 | 149.1 | -75 | 172.3 | 167.1 | 162 | -4.4 | 110.5 | ||||
| 1460 | K | 30 | Very low | 28.7 | Very low | 212 Ų | 212 | 161.5 Ų | 161.5 | 92% | 0.922 | 84% | 0.843 | S | S | * | * | trans | -152.4 | 126 | 141.6 | -111.9 | 174.3 | -175.1 | 178.8 | 0 | 111.4 | ||||
| 1461 | N | 26.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 160.3 Ų | 160.3 | 79% | 0.786 | 85% | 0.846 | S | S | * | * | trans | -51.4 | 144 | -174.2 | -59 | -34.9 | 0 | 0 | 0 | 115.5 | ||||
| 1462 | L | 33.4 | Very low | 28.6 | Very low | 186 Ų | 186 | 160.7 Ų | 160.7 | 97% | 0.974 | 84% | 0.841 | S | S | * | * | trans | -149 | 135.8 | 144.8 | -126 | 85.7 | 0 | 0 | 0 | 111 | ||||
| 1463 | R | 26.9 | Very low | 28.5 | Very low | 252 Ų | 252 | 165.1 Ų | 165.1 | 95% | 0.951 | 85% | 0.845 | S | S | * | * | trans | -76 | 144 | -169 | -103.3 | 171.1 | 166.7 | 167.9 | -6.1 | 113 | ||||
| 1464 | R | 25 | Very low | 28.3 | Very low | 190 Ų | 190 | 166.4 Ų | 166.4 | 72% | 0.717 | 85% | 0.846 | S | S | * | * | trans | -68.6 | 141.2 | 163.9 | -83.6 | 168 | 154.8 | 158.4 | -10.3 | 111.3 | ||||
| 1465 | T | 30.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 165.1 Ų | 165.1 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | trans | -139.7 | 146.7 | 145.1 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1466 | T | 28.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 164.2 Ų | 164.2 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 138.6 | -158 | 34.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1467 | T | 26.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 163.1 Ų | 163.1 | 62% | 0.62 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 132.2 | 167.6 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | R1440 | R1440-T1467 PolarHBondContact NH2-OG1 3.12Š|
| 1468 | S | 29.1 | Very low | 28.2 | Very low | 126 Ų | 126 | 163.6 Ų | 163.6 | 88% | 0.881 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 157.8 | 154.2 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1469 | R | 27.5 | Very low | 28.2 | Very low | 234 Ų | 234 | 165.3 Ų | 165.3 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | -135.2 | 126.3 | -158.6 | -176.1 | 179.9 | -179.7 | 156.9 | -0.6 | 105.8 | ||||
| 1470 | T | 30.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 160.7 Ų | 160.7 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -128.1 | 138.8 | 171.9 | 36.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1471 | A | 31.3 | Very low | 28.5 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -100.8 | 160.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1472 | I | 28 | Very low | 28.4 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 77% | 0.774 | 83% | 0.832 | S | S | * | * | trans | -63.9 | 136.9 | -179.3 | -62.1 | 152.4 | 0 | 0 | 0 | 111.2 | ||||
| 1473 | L | 31 | Very low | 28.3 | Very low | 173 Ų | 173 | 159.1 Ų | 159.1 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -139 | 125.2 | 155.2 | -75.4 | 175.2 | 0 | 0 | 0 | 108 | ||||
| 1474 | E | 25.9 | Very low | 28.4 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -81.3 | 135.8 | 169.3 | -68.6 | 164.2 | 160.6 | 0 | 0 | 108.4 | ||||
| 1475 | S | 28.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -157.5 | 132.1 | 160.7 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1476 | D | 26 | Very low | 28.4 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | -68.5 | 158.4 | -177.3 | -59.4 | -60.1 | 0 | 0 | 0 | 114.5 | ||||
| 1477 | E | 25.5 | Very low | 28.4 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | 67.4 | 141.9 | 143 | -72.2 | 170.1 | -176.1 | 0 | 0 | 121.5 | ||||
| 1478 | D | 29.6 | Very low | 28.5 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | trans | 96.7 | 107.4 | 158.2 | -52.2 | -30.4 | 0 | 0 | 0 | 121.2 | ||||
| 1479 | E | 27.2 | Very low | 28.3 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 61.3 | 121.2 | 130.4 | -65.3 | -177.6 | 165.5 | 0 | 0 | 122 | ||||
| 1480 | D | 25.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | 44.9 | 109.3 | 141.2 | -65.2 | -23.4 | 0 | 0 | 0 | 120 | ||||
| 1481 | D | 33.3 | Very low | 28.1 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | -171.4 | 140.8 | 119.2 | -99.6 | -33.4 | 0 | 0 | 0 | 113.7 | E1483 | D1481-E1483 PolarHBondContact O-N 3.08Š| |||
| 1482 | N | 26.1 | Very low | 27.7 | Very low | 159 Ų | 159 | 158 Ų | 158 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -64.1 | 119.2 | 176.8 | -73.4 | -66.9 | 0 | 0 | 0 | 112.1 | ||||
| 1483 | E | 30.8 | Very low | 27.7 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -139.8 | 117.3 | 155.6 | -128.5 | -177.4 | -173.7 | 0 | 0 | 113 | D1481 G1485 | D1481-E1483 PolarHBondContact O-N 3.08Å; E1483-G1485 PolarHBondContact O-N 3.48Å | ||
| 1484 | I | 28 | Very low | 27.4 | Very low | 169 Ų | 169 | 159.7 Ų | 159.7 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -69.1 | 97 | -177.6 | -64.9 | 166.2 | 0 | 0 | 0 | 108.9 | K1486 | I1484-K1486 PolarHBondContact O-N 3.18Š| ||
| 1485 | G | 29.5 | Very low | 27.6 | Very low | 72 Ų | 72 | 157.3 Ų | 157.3 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -71.6 | 113.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1483 | E1483-G1485 PolarHBondContact O-N 3.48Š| ||
| 1486 | K | 27.8 | Very low | 27.3 | Very low | 203 Ų | 203 | 163.4 Ų | 163.4 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131.4 | 172.7 | -77.1 | 174.5 | 176.4 | 170.5 | 0 | 112.4 | I1484 | I1484-K1486 PolarHBondContact O-N 3.18Š|
| 1487 | I | 27.4 | Very low | 27.3 | Very low | 160 Ų | 160 | 162.7 Ų | 162.7 | 82% | 0.821 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.7 | 176.5 | -60 | 161.6 | 0 | 0 | 0 | 110.8 | ||
| 1488 | P | 29 | Very low | 27.4 | Very low | 110 Ų | 110 | 161.5 Ų | 161.5 | 71% | 0.714 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.3 | 175.7 | -8.5 | 25.3 | 0 | 0 | 0 | 111.4 | V1490 | P1488-V1490 PolarHBondContact O-N 2.84Š|
| 1489 | T | 25.4 | Very low | 27.2 | Very low | 142 Ų | 142 | 166.6 Ų | 166.6 | 87% | 0.871 | 85% | 0.845 | S | S | * | * | trans | -65.5 | 111.5 | 176.2 | 40 | 0 | 0 | 0 | 0 | 111.6 | R1491 | T1489-R1491 PolarHBondContact O-N 3.46Š| ||
| 1490 | V | 28.9 | Very low | 27.3 | Very low | 140 Ų | 140 | 162.7 Ų | 162.7 | 85% | 0.848 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 116.4 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | P1488 | P1488-V1490 PolarHBondContact O-N 2.84Š|
| 1491 | R | 23.8 | Very low | 27.3 | Very low | 235 Ų | 235 | 167.8 Ų | 167.8 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.6 | -177.3 | -149.4 | 172.4 | -174.9 | 169.2 | 1.9 | 110.8 | T1489 K1493 | T1489-R1491 PolarHBondContact O-N 3.46Å; R1491-K1493 PolarHBondContact O-N 3.17Å |
| 1492 | E | 24.7 | Very low | 27 | Very low | 181 Ų | 181 | 164.5 Ų | 164.5 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 122.9 | 179.5 | -64 | 174.3 | 151.4 | 0 | 0 | 113.2 | ||
| 1493 | K | 27.5 | Very low | 27 | Very low | 195 Ų | 195 | 168.7 Ų | 168.7 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | trans | -101.2 | 104.8 | 167.5 | -84.6 | -177.7 | 178.8 | 171.9 | 0 | 109.7 | R1491 T1495 | R1491-K1493 PolarHBondContact O-N 3.17Å; K1493-T1495 PolarHBondContact O-N 3.48Å | ||
| 1494 | N | 25 | Very low | 26.9 | Very low | 165 Ų | 165 | 165.9 Ų | 165.9 | 88% | 0.882 | 85% | 0.846 | S | S | * | * | trans | -49.4 | 102.1 | 168.1 | -76.2 | -32.5 | 0 | 0 | 0 | 111.9 | ||||
| 1495 | T | 28.5 | Very low | 26.8 | Very low | 134 Ų | 134 | 169 Ų | 169 | 82% | 0.822 | 85% | 0.847 | S | S | * | * | trans | -90.3 | 122.8 | 168.2 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | K1493 | K1493-T1495 PolarHBondContact O-N 3.48Š| ||
| 1496 | R | 24.2 | Very low | 26.7 | Very low | 242 Ų | 242 | 172 Ų | 172 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -79.9 | 124.4 | -169.7 | -152.7 | 172.1 | 178 | 177.1 | -1.2 | 109.3 | T1498 | R1496-T1498 PolarHBondContact O-N 3.25Š| ||
| 1497 | T | 24.4 | Very low | 26.8 | Very low | 131 Ų | 131 | 166.6 Ų | 166.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -63.5 | 115.5 | -177.9 | 37.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1498 | T | 28.6 | Very low | 26.8 | Very low | 145 Ų | 145 | 168.1 Ų | 168.1 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | trans | -90.5 | 101.3 | 163.8 | 35.1 | 0 | 0 | 0 | 0 | 109.6 | R1496 | R1496-T1498 PolarHBondContact O-N 3.25Š| ||
| 1499 | R | 24.3 | Very low | 26.8 | Very low | 245 Ų | 245 | 167.3 Ų | 167.3 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -69.3 | 123.1 | 168.1 | -79.2 | 173.6 | 166 | 169.8 | -4.6 | 110.5 | ||||
| 1500 | A | 29.7 | Very low | 27.1 | Very low | 90 Ų | 90 | 165.3 Ų | 165.3 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -168.1 | 120.4 | 144 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1501 | R | 25.7 | Very low | 27.2 | Very low | 252 Ų | 252 | 165.1 Ų | 165.1 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | 31.3 | 131.2 | 140.8 | -65.5 | 171.8 | 171.3 | 166.8 | -4.7 | 117.9 | ||||
| 1502 | A | 28.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 161.4 Ų | 161.4 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | cis | -155.3 | 138.9 | 25.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T1504 | A1502-T1504 PolarHBondContact O-N 3.41Š| ||
| 1503 | R | 26.1 | Very low | 28.1 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -83.2 | 105.2 | 174.3 | -76.2 | 172.9 | 168 | 169.5 | -6 | 109 | ||||
| 1504 | T | 27.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 160 Ų | 160 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -92.7 | 98.2 | 156.6 | 5.4 | 0 | 0 | 0 | 0 | 107.1 | A1502 I1506 | A1502-T1504 PolarHBondContact O-N 3.41Å; T1504-I1506 PolarHBondContact O-N 3.16Å | ||
| 1505 | R | 25.6 | Very low | 28.5 | Very low | 234 Ų | 234 | 160.3 Ų | 160.3 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -84.4 | 89.5 | -179.8 | -155.1 | -177 | -160.6 | 179.5 | 1.1 | 106.5 | A1507 | R1505-A1507 PolarHBondContact O-N 2.76Š| ||
| 1506 | I | 29.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 166.8 Ų | 166.8 | 70% | 0.703 | 84% | 0.844 | S | S | * | * | trans | -87.7 | 97.4 | 167 | -61.6 | 174.9 | 0 | 0 | 0 | 105.3 | T1504 F1508 | T1504-I1506 PolarHBondContact O-N 3.16Å; I1506-F1508 HydrophobicContact CG2-CD2 4.15Å; I1506-F1508 HydrophobicContact CG2-CE2 3.89Å | ||
| 1507 | A | 28.1 | Very low | 28.9 | Very low | 88 Ų | 88 | 163.1 Ų | 163.1 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -77.2 | 114.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | R1505 S1509 | R1505-A1507 PolarHBondContact O-N 2.76Å; A1507-S1509 PolarHBondContact O-N 3.12Å | ||
| 1508 | F | 28.4 | Very low | 29.1 | Very low | 193 Ų | 193 | 164.7 Ų | 164.7 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | trans | -81.5 | 101.7 | 160.1 | -83.4 | -87.4 | 0 | 0 | 0 | 106.6 | I1506 S1510 | I1506-F1508 HydrophobicContact CG2-CD2 4.15Å; I1506-F1508 HydrophobicContact CG2-CE2 3.89Å; F1508-S1510 PolarHBondContact O-N 2.95Å | ||
| 1509 | S | 28.4 | Very low | 29.2 | Very low | 93 Ų | 93 | 165.8 Ų | 165.8 | 65% | 0.65 | 84% | 0.84 | S | S | * | * | trans | -69.7 | 113.1 | 160.5 | -163.6 | 0 | 0 | 0 | 0 | 106.1 | A1507 D1511 | A1507-S1509 PolarHBondContact O-N 3.12Å; S1509-D1511 PolarHBondContact O-N 3.19Å; S1509-D1511 PolarHBondContact OG-OD1 3.16Å | ||
| 1510 | S | 31.3 | Very low | 29.4 | Very low | 99 Ų | 99 | 161.2 Ų | 161.2 | 69% | 0.692 | 84% | 0.835 | S | S | * | * | trans | -78.1 | 93 | 161.9 | 50.6 | 0 | 0 | 0 | 0 | 106.1 | F1508 D1512 | F1508-S1510 PolarHBondContact O-N 2.95Å; S1510-D1512 PolarHBondContact O-N 3.41Å | ||
| 1511 | D | 32.3 | Very low | 29.4 | Very low | 136 Ų | 136 | 165.6 Ų | 165.6 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -75.3 | 112.9 | 168.3 | -72.4 | -8.3 | 0 | 0 | 0 | 107 | S1509 E1513 | S1509-D1511 PolarHBondContact O-N 3.19Å; S1509-D1511 PolarHBondContact OG-OD1 3.16Å; D1511-E1513 PolarHBondContact O-N 3.47Å | ||
| 1512 | D | 33.7 | Very low | 29.7 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -67 | 98.5 | 170.2 | -66.3 | -50.2 | 0 | 0 | 0 | 109 | S1510 | S1510-D1512 PolarHBondContact O-N 3.41Š| ||
| 1513 | E | 33 | Very low | 29.8 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -132.3 | 89.9 | 162.7 | -78.5 | -168.3 | 168.3 | 0 | 0 | 108.3 | D1511 | D1511-E1513 PolarHBondContact O-N 3.47Š| ||
| 1514 | D | 34.2 | Very low | 30 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | trans | -146.5 | 86.2 | 155 | -87 | -34.7 | 0 | 0 | 0 | 107.5 | ||||
| 1515 | N | 27.9 | Very low | 30.3 | Very low | 171 Ų | 171 | 160.5 Ų | 160.5 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | trans | -85.1 | 100.2 | 153.4 | -88.8 | -37.2 | 0 | 0 | 0 | 106.8 | ||||
| 1516 | E | 31.3 | Very low | 30.7 | Very low | 271 Ų | 271 | 153.8 Ų | 153.8 | 100% | 1.266 | 83% | 0.828 | S | S | * | * | trans | -168.6 | 0 | 143.2 | -110.2 | 178.9 | -169.6 | 0 | 0 | 111.1 |
Retrieved 1,516 of 1,516 residues in 2239.4 ms
(Link to these results)