| 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 | 65.2 | Low | 85.6 | Confident | 141 Ų | 141 | 60.5 Ų | 60.5 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | 0 | 135.9 | 0 | -163.2 | 178.8 | -86.4 | 0 | 0 | 107.1 | L53 T113 | M1-L53 HydrophobicContact CE-CB 4.42Å; M1-L53 HydrophobicContact CE-CD1 3.87Å; M1-L53 HydrophobicContact SD-CD1 4.09Å; M1-L53 HydrophobicContact SD-CD2 4.06Å; M1-T113 HydrophobicContact CE-CG2 4.43Å | |||
| 2 | S | 80.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | trans | -66.2 | 148.7 | 173.2 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | N20 N116 | S2-N20 CarbonylContact C-O 3.53Å; S2-N20 VanDerWaalsContact CA-O 3.31Å; S2-N20 WeakPolarHBondContact CA-O 3.35Å; S2-N20 VanDerWaalsContact CB-O 3.31Å; S2-N20 WeakPolarHBondContact CB-O 3.45Å; S2-N116 PolarHBondContact O-ND2 3.15Å | ||
| 3 | E | 87.1 | Confident | 86.2 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -80.8 | 133.8 | 176.8 | 179.3 | 161.6 | -148.4 | 0 | 0 | 110.4 | I5 N20 A21 Y22 R115 | E3-I5 HydrophobicContact CG-CG1 4.43Å; E3-I5 PolarHBondContact O-N 3.29Å; E3-N20 PolarHBondContact N-O 3.02Å; E3-A21 CarbonylContact O-C 3.59Å; E3-A21 WeakPolarHBondContact O-CA 3.23Å; E3-Y22 PolarHBondContact O-N 2.67Å; E3-R115 IonicContact OE1-CZ 3.85Å; E3-R115 IonicContact OE1-NE 3.62Å; E3-R115 IonicContact OE1-NH2 3.31Å; E3-R115 PolarHBondContact OE1-NH2 3.25Å |
| 4 | F | 92.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | trans | -83.5 | 108.9 | 173.2 | -171.6 | -96.1 | 0 | 0 | 0 | 109.5 | I6 L13 Y22 F56 N116 K119 M120 Y123 | F4-I6 HydrophobicContact CE1-CG1 4.36Å; F4-L13 HydrophobicContact CE2-CD2 3.82Å; F4-L13 HydrophobicContact CZ-CD2 4.32Å; F4-Y22 AromaticContact CD2-CD1 3.88Å; F4-Y22 HydrophobicContact CD2-CD1 3.88Å; F4-Y22 HydrophobicContact CD2-CG 4.03Å; F4-Y22 HydrophobicContact CE2-CD1 4.17Å; F4-F56 AromaticContact CE2-CE1 3.96Å; F4-F56 HydrophobicContact CE2-CE1 3.96Å; F4-F56 AromaticContact CE2-CE2 3.84Å; F4-F56 HydrophobicContact CE2-CE2 3.84Å; F4-F56 AromaticContact CE2-CZ 3.52Å; F4-F56 HydrophobicContact CE2-CZ 3.52Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.69Å; F4-F56 HydrophobicContact CZ-CZ 3.69Å; F4-N116 HydrophobicContact CB-CB 4.27Å; F4-N116 PolarHBondContact N-OD1 2.71Å; F4-K119 HydrophobicContact CD1-CB 3.61Å; F4-K119 HydrophobicContact CD1-CD 4.41Å; F4-K119 HydrophobicContact CE1-CB 4.13Å; F4-K119 WeakPolarHBondContact O-CD 3.17Å; F4-K119 PolarHBondContact O-NZ 2.82Å; F4-M120 HydrophobicContact CB-CE 4.09Å; F4-M120 HydrophobicContact CB-CG 4.22Å; F4-M120 HydrophobicContact CD1-CG 3.98Å; F4-M120 HydrophobicContact CD2-CE 3.48Å; F4-M120 VanDerWaalsContact CD2-CE 3.48Å; F4-M120 HydrophobicContact CD2-CG 3.5Å; F4-M120 HydrophobicContact CD2-SD 4.35Å; F4-M120 HydrophobicContact CE1-CG 4.18Å; F4-M120 HydrophobicContact CE2-CE 4.23Å; F4-M120 HydrophobicContact CE2-CG 3.74Å; F4-M120 HydrophobicContact CG-CE 4.04Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.06Å; F4-Y123 HydrophobicContact CZ-CD1 4.21Å; F4-Y123 HydrophobicContact CZ-CG 4.25Å | ||
| 5 | I | 91.1 | Very high | 86.3 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 126.5 | 173.9 | -56 | -180 | 0 | 0 | 0 | 106.9 | E3 P7 V18 A21 | E3-I5 HydrophobicContact CG-CG1 4.43Å; E3-I5 PolarHBondContact O-N 3.29Å; I5-P7 WeakPolarHBondContact O-CD 3.31Å; I5-V18 HydrophobicContact CD1-CB 4.21Å; I5-V18 HydrophobicContact CD1-CG1 4.23Å; I5-V18 HydrophobicContact CD1-CG2 4.38Å; I5-A21 HydrophobicContact CD1-CB 3.78Å; I5-A21 HydrophobicContact CG1-CB 4.25Å |
| 6 | I | 91.7 | Very high | 85.7 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64 | 123 | 180 | -65.5 | 166.8 | 0 | 0 | 0 | 108.1 | F4 K119 D204 F205 L208 | F4-I6 HydrophobicContact CE1-CG1 4.36Å; I6-K119 HydrophobicContact CD1-CD 4.46Å; I6-K119 HydrophobicContact CD1-CG 4.36Å; I6-K119 HydrophobicContact CG1-CB 4.45Å; I6-K119 HydrophobicContact CG1-CD 4.4Å; I6-D204 HydrophobicContact CB-CB 4.26Å; I6-D204 HydrophobicContact CD1-CB 4.17Å; I6-F205 HydrophobicContact CD1-CB 3.77Å; I6-F205 HydrophobicContact CD1-CD2 4.34Å; I6-L208 HydrophobicContact CD1-CD1 3.71Å; I6-L208 HydrophobicContact CD1-CG 4.42Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.99Å; I6-L208 HydrophobicContact CG2-CD2 4.06Å; I6-L208 HydrophobicContact CG2-CG 4.12Å |
| 7 | P | 89.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 13% | 0.13 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 147.1 | -175.8 | 34 | -38.8 | 0 | 0 | 0 | 111.3 | I5 A9 D12 L13 Y123 | I5-P7 WeakPolarHBondContact O-CD 3.31Å; P7-A9 WeakPolarHBondContact CB-O 3.46Å; P7-D12 HydrophobicContact CB-CB 3.97Å; P7-L13 HydrophobicContact CB-CD1 4.49Å; P7-L13 HydrophobicContact CB-CG 3.99Å; P7-L13 HydrophobicContact CG-CD1 3.74Å; P7-L13 HydrophobicContact CG-CD2 4.37Å; P7-L13 HydrophobicContact CG-CG 3.77Å; P7-Y123 HydrophobicContact CG-CD2 4.13Å; P7-Y123 HydrophobicContact CG-CE1 4.38Å; P7-Y123 HydrophobicContact CG-CE2 3.38Å |
| 8 | V | 84.2 | Confident | 84.3 | Confident | 147 Ų | 147 | 71.1 Ų | 71.1 | 89% | 0.891 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.2 | -42.5 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 110 | D12 | V8-D12 PolarHBondContact N-OD2 3.11Š|
| 9 | A | 85.4 | Confident | 83.9 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -123.3 | 143.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P7 A11 D12 | P7-A9 WeakPolarHBondContact CB-O 3.46Å; A9-A11 PolarHBondContact O-N 3.34Å; A9-D12 PolarHBondContact N-OD2 3.2Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.48Å; A9-D12 PolarHBondContact O-N 3.39Å |
| 10 | K | 86.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 26% | 0.261 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -47.9 | -34.9 | 177.2 | -172.8 | -179.7 | 68.3 | -175.2 | 0 | 113.3 | D12 L13 F60 L63 | K10-D12 PolarHBondContact O-N 2.96Å; K10-L13 PolarHBondContact O-N 3.42Å; K10-F60 HydrophobicContact CD-CE2 4.41Å; K10-F60 HydrophobicContact CG-CE2 3.57Å; K10-F60 HydrophobicContact CG-CZ 3.81Å; K10-F60 WeakPolarHBondContact O-CZ 3.48Å; K10-L63 HydrophobicContact CD-CB 4.22Å; K10-L63 PolarHBondContact NZ-O 3.28Å |
| 11 | A | 87.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -67.8 | -18.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A9 L13 L14 | A9-A11 PolarHBondContact O-N 3.34Å; A11-L13 VanDerWaalsContact C-N 3.26Å; A11-L13 PolarHBondContact O-N 3.22Å; A11-L14 WeakPolarHBondContact O-CB 3.4Å; A11-L14 PolarHBondContact O-N 3.42Å |
| 12 | D | 88.6 | Confident | 85.1 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -69 | -27.6 | 179.7 | -60.7 | -27.5 | 0 | 0 | 0 | 111.5 | P7 V8 A9 K10 L14 K15 | P7-D12 HydrophobicContact CB-CB 3.97Å; V8-D12 PolarHBondContact N-OD2 3.11Å; A9-D12 PolarHBondContact N-OD2 3.2Å; A9-D12 VanDerWaalsContact O-CB 3.27Å; A9-D12 WeakPolarHBondContact O-CB 3.48Å; A9-D12 PolarHBondContact O-N 3.39Å; K10-D12 PolarHBondContact O-N 2.96Å; D12-L14 PolarHBondContact O-N 2.85Å; D12-K15 PolarHBondContact O-N 2.79Å; D12-K15 VanDerWaalsContact O-N 3.11Å |
| 13 | L | 90.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -68.4 | -10.9 | 174.8 | -75.1 | 171.3 | 0 | 0 | 0 | 113.9 | F4 P7 K10 A11 V23 V24 F56 F60 Y123 | F4-L13 HydrophobicContact CE2-CD2 3.82Å; F4-L13 HydrophobicContact CZ-CD2 4.32Å; P7-L13 HydrophobicContact CB-CD1 4.49Å; P7-L13 HydrophobicContact CB-CG 3.99Å; P7-L13 HydrophobicContact CG-CD1 3.74Å; P7-L13 HydrophobicContact CG-CD2 4.37Å; P7-L13 HydrophobicContact CG-CG 3.77Å; K10-L13 PolarHBondContact O-N 3.42Å; A11-L13 VanDerWaalsContact C-N 3.26Å; A11-L13 PolarHBondContact O-N 3.22Å; L13-V23 WeakPolarHBondContact O-CA 3.35Å; L13-V23 WeakPolarHBondContact O-CG1 3.48Å; L13-V24 HydrophobicContact CB-CG2 4.06Å; L13-V24 PolarHBondContact O-N 3.19Å; L13-F56 HydrophobicContact CD1-CE1 3.96Å; L13-F56 HydrophobicContact CD1-CZ 3.89Å; L13-F60 HydrophobicContact CB-CE2 3.9Å; L13-F60 HydrophobicContact CB-CZ 3.92Å; L13-F60 HydrophobicContact CD1-CD2 3.73Å; L13-F60 HydrophobicContact CD1-CE2 3.43Å; L13-F60 VanDerWaalsContact CD1-CE2 3.43Å; L13-F60 HydrophobicContact CD1-CZ 4.31Å; L13-F60 HydrophobicContact CG-CE2 4.29Å; L13-Y123 HydrophobicContact CD1-CD1 4.4Å; L13-Y123 HydrophobicContact CD1-CE1 3.63Å |
| 14 | L | 89.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -93.7 | -8.8 | 174.9 | -60.9 | 173.8 | 0 | 0 | 0 | 112.8 | A11 D12 V24 V27 F60 H64 | A11-L14 WeakPolarHBondContact O-CB 3.4Å; A11-L14 PolarHBondContact O-N 3.42Å; D12-L14 PolarHBondContact O-N 2.85Å; L14-V24 HydrophobicContact CD2-CB 4.29Å; L14-V24 HydrophobicContact CD2-CG1 4.37Å; L14-V27 HydrophobicContact CD2-CG2 3.55Å; L14-F60 HydrophobicContact CD2-CE1 3.94Å; L14-F60 HydrophobicContact CG-CE1 4.38Å; L14-H64 VanDerWaalsContact CD1-CE1 3.46Å; L14-H64 WeakPolarHBondContact CD1-CE1 3.31Å |
| 15 | K | 83.8 | Confident | 85.2 | Confident | 141 Ų | 141 | 68.3 Ų | 68.3 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -121.2 | 128.2 | -174.9 | -63.8 | 177.9 | -175.1 | 172 | 0 | 109.4 | D12 S17 | D12-K15 PolarHBondContact O-N 2.79Å; D12-K15 VanDerWaalsContact O-N 3.11Å; K15-S17 PolarHBondContact O-N 2.96Å |
| 16 | R | 77.4 | Confident | 84.9 | Confident | 168 Ų | 168 | 69.1 Ų | 69.1 | 63% | 0.634 | 39% | 0.386 | S | S | * | . | trans | -77.7 | 86.3 | 173.4 | -165 | 171.2 | -81.1 | -145.2 | -2.3 | 110.3 | V23 | R16-V23 HydrophobicContact CB-CG2 3.78Å; R16-V23 HydrophobicContact CG-CG2 3.93Å | ||
| 17 | S | 68.7 | Low | 84.7 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | trans | -81 | -36.9 | 179.8 | 58 | 0 | 0 | 0 | 0 | 113.2 | K15 | K15-S17 PolarHBondContact O-N 2.96Š| ||
| 18 | V | 76.9 | Confident | 84.7 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -118.6 | 133.8 | -177.6 | -178 | 0 | 0 | 0 | 0 | 110.1 | I5 N20 A21 | I5-V18 HydrophobicContact CD1-CB 4.21Å; I5-V18 HydrophobicContact CD1-CG1 4.23Å; I5-V18 HydrophobicContact CD1-CG2 4.38Å; V18-N20 PolarHBondContact O-N 3.37Å; V18-A21 HydrophobicContact CB-CB 4.01Å; V18-A21 WeakPolarHBondContact O-CB 3.32Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-A21 VanDerWaalsContact O-N 3.15Å |
| 19 | S | 76.9 | Confident | 84.9 | Confident | 112 Ų | 112 | 65.9 Ų | 65.9 | 78% | 0.783 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 124.4 | 172.8 | 32.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 20 | N | 81.1 | Confident | 85 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 6.5 | -176 | -154.5 | 40.7 | 0 | 0 | 0 | 116.9 | S2 E3 V18 | S2-N20 CarbonylContact C-O 3.53Å; S2-N20 VanDerWaalsContact CA-O 3.31Å; S2-N20 WeakPolarHBondContact CA-O 3.35Å; S2-N20 VanDerWaalsContact CB-O 3.31Å; S2-N20 WeakPolarHBondContact CB-O 3.45Å; E3-N20 PolarHBondContact N-O 3.02Å; V18-N20 PolarHBondContact O-N 3.37Å |
| 21 | A | 86.5 | Confident | 85 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 7% | 0.066 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 148.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E3 I5 V18 | E3-A21 CarbonylContact O-C 3.59Å; E3-A21 WeakPolarHBondContact O-CA 3.23Å; I5-A21 HydrophobicContact CD1-CB 3.78Å; I5-A21 HydrophobicContact CG1-CB 4.25Å; V18-A21 HydrophobicContact CB-CB 4.01Å; V18-A21 WeakPolarHBondContact O-CB 3.32Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-A21 VanDerWaalsContact O-N 3.15Å |
| 22 | Y | 90.5 | Very high | 85.1 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | trans | -64.5 | 137.2 | 170.3 | -175.2 | -84.7 | 0 | 0 | 0 | 110.1 | E3 F4 V24 F56 D57 M120 | E3-Y22 PolarHBondContact O-N 2.67Å; F4-Y22 AromaticContact CD2-CD1 3.88Å; F4-Y22 HydrophobicContact CD2-CD1 3.88Å; F4-Y22 HydrophobicContact CD2-CG 4.03Å; F4-Y22 HydrophobicContact CE2-CD1 4.17Å; Y22-V24 HydrophobicContact CE1-CG2 4.21Å; Y22-F56 AromaticContact CE1-CD1 3.57Å; Y22-F56 HydrophobicContact CE1-CD1 3.57Å; Y22-F56 HydrophobicContact CE1-CE1 4.04Å; Y22-F56 HydrophobicContact CE1-CG 4.33Å; Y22-F56 AromaticContact CZ-CD1 3.98Å; Y22-D57 PolarHBondContact OH-OD1 3.07Å; Y22-M120 HydrophobicContact CD1-CE 4.03Å; Y22-M120 HydrophobicContact CD2-CE 3.45Å; Y22-M120 VanDerWaalsContact CD2-CE 3.45Å; Y22-M120 HydrophobicContact CE1-CE 4.1Å; Y22-M120 HydrophobicContact CE2-CE 3.49Å; Y22-M120 VanDerWaalsContact CE2-CE 3.49Å; Y22-M120 HydrophobicContact CG-CE 3.73Å | ||
| 23 | V | 88.1 | Confident | 85.2 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 37% | 0.373 | C | S | . | . | trans | -137.9 | 140.7 | 175 | -177.1 | 0 | 0 | 0 | 0 | 105.9 | L13 R16 N25 | L13-V23 WeakPolarHBondContact O-CA 3.35Å; L13-V23 WeakPolarHBondContact O-CG1 3.48Å; R16-V23 HydrophobicContact CB-CG2 3.78Å; R16-V23 HydrophobicContact CG-CG2 3.93Å; V23-N25 PolarHBondContact O-N 2.65Å; V23-N25 PolarHBondContact O-ND2 2.95Å | ||
| 24 | V | 89.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 80 Ų | 80 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | trans | -65.2 | 118 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 107.9 | L13 L14 Y22 V27 F56 D57 F60 | L13-V24 HydrophobicContact CB-CG2 4.06Å; L13-V24 PolarHBondContact O-N 3.19Å; L14-V24 HydrophobicContact CD2-CB 4.29Å; L14-V24 HydrophobicContact CD2-CG1 4.37Å; Y22-V24 HydrophobicContact CE1-CG2 4.21Å; V24-V27 HydrophobicContact CG1-CG2 4.06Å; V24-F56 HydrophobicContact CG2-CD1 4.18Å; V24-F56 HydrophobicContact CG2-CE1 3.97Å; V24-D57 WeakPolarHBondContact CA-OD1 3.27Å; V24-D57 HydrophobicContact CG1-CB 4.19Å; V24-F60 HydrophobicContact CB-CD1 4.18Å; V24-F60 HydrophobicContact CB-CE1 4.32Å; V24-F60 HydrophobicContact CG1-CD1 3.84Å; V24-F60 HydrophobicContact CG1-CE1 4.23Å; V24-F60 HydrophobicContact CG2-CB 4.3Å; V24-F60 HydrophobicContact CG2-CD1 3.56Å; V24-F60 HydrophobicContact CG2-CD2 4.31Å; V24-F60 HydrophobicContact CG2-CE1 3.87Å; V24-F60 HydrophobicContact CG2-CG 3.78Å; V24-F60 HydrophobicContact CG2-CZ 4.37Å | ||
| 25 | N | 84.3 | Confident | 85.1 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 68% | 0.684 | 42% | 0.415 | S | S | * | . | trans | -87.8 | -37 | -174.5 | -60.5 | -68.3 | 0 | 0 | 0 | 111.3 | V23 D57 | V23-N25 PolarHBondContact O-N 2.65Å; V23-N25 PolarHBondContact O-ND2 2.95Å; N25-D57 PolarHBondContact N-OD2 3.46Å | ||
| 26 | D | 84.1 | Confident | 85.5 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | trans | -127.9 | 112 | -176.8 | -165.7 | 12 | 0 | 0 | 0 | 110.8 | I28 D57 | D26-I28 PolarHBondContact O-N 2.76Å; D26-D57 PolarHBondContact N-OD2 3.11Å | ||
| 27 | V | 88.8 | Confident | 86.2 | Confident | 50 Ų | 50 | 71 Ų | 71 | 30% | 0.303 | 37% | 0.371 | S | S | . | . | trans | -88.3 | 103.4 | 170.6 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | L14 V24 S29 S61 | L14-V27 HydrophobicContact CD2-CG2 3.55Å; V24-V27 HydrophobicContact CG1-CG2 4.06Å; V27-S29 PolarHBondContact O-N 3.25Å; V27-S61 WeakPolarHBondContact CA-OG 3.47Å | ||
| 28 | I | 90.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | trans | -71 | 122.4 | -174.1 | -55.8 | -179.3 | 0 | 0 | 0 | 109.5 | D26 N32 L33 Y36 T58 S61 | D26-I28 PolarHBondContact O-N 2.76Å; I28-N32 HydrophobicContact CG2-CB 3.52Å; I28-L33 HydrophobicContact CB-CD2 3.91Å; I28-L33 HydrophobicContact CG2-CD2 3.97Å; I28-L33 HydrophobicContact CG2-CG 4.27Å; I28-Y36 HydrophobicContact CD1-CD1 3.45Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.45Å; I28-Y36 HydrophobicContact CD1-CD2 4.38Å; I28-Y36 HydrophobicContact CD1-CE1 3.87Å; I28-Y36 HydrophobicContact CD1-CG 3.71Å; I28-Y36 HydrophobicContact CG2-CD2 4.15Å; I28-Y36 HydrophobicContact CG2-CE2 4.41Å; I28-Y36 HydrophobicContact CG2-CG 4.4Å; I28-T58 HydrophobicContact CD1-CG2 4.16Å; I28-S61 PolarHBondContact N-OG 2.97Å | ||
| 29 | S | 88.5 | Confident | 88 | Confident | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | trans | -56.5 | 147 | 176.3 | 72.6 | 0 | 0 | 0 | 0 | 112.4 | V27 R31 N32 L33 | V27-S29 PolarHBondContact O-N 3.25Å; S29-R31 PolarHBondContact O-N 2.93Å; S29-N32 WeakPolarHBondContact O-CA 3.39Å; S29-N32 WeakPolarHBondContact O-CB 3.49Å; S29-N32 PolarHBondContact O-N 2.65Å; S29-N32 PolarHBondContact OG-ND2 2.54Å; S29-L33 PolarHBondContact O-N 3.46Å | ||
| 30 | V | 87.1 | Confident | 88.8 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -47.8 | -41.7 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 113.3 | N32 L33 E65 N68 V69 | V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 2.92Å; V30-L33 PolarHBondContact O-N 3.03Å; V30-E65 HydrophobicContact CG2-CB 3.86Å; V30-E65 HydrophobicContact CG2-CG 3.99Å; V30-N68 WeakPolarHBondContact CG1-O 3.35Å; V30-N68 HydrophobicContact CG2-CB 3.79Å; V30-V69 HydrophobicContact CG1-CG2 4.28Å; V30-V69 HydrophobicContact CG2-CG2 4.22Å |
| 31 | R | 85.9 | Confident | 89.4 | Confident | 227 Ų | 227 | 64.6 Ų | 64.6 | 86% | 0.857 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 179.2 | -66.5 | -177.3 | -176.2 | 170 | 2 | 113.1 | S29 | S29-R31 PolarHBondContact O-N 2.93Å |
| 32 | N | 90.6 | Very high | 89.8 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -86.1 | -26.2 | -177.5 | -70.7 | -16.1 | 0 | 0 | 0 | 112.2 | I28 S29 V30 R34 N35 Y36 | I28-N32 HydrophobicContact CG2-CB 3.52Å; S29-N32 WeakPolarHBondContact O-CA 3.39Å; S29-N32 WeakPolarHBondContact O-CB 3.49Å; S29-N32 PolarHBondContact O-N 2.65Å; S29-N32 PolarHBondContact OG-ND2 2.54Å; V30-N32 VanDerWaalsContact C-N 3.25Å; V30-N32 PolarHBondContact O-N 2.92Å; N32-R34 PolarHBondContact O-N 3.32Å; N32-R34 VanDerWaalsContact O-N 3.12Å; N32-N35 PolarHBondContact O-N 3.43Å; N32-Y36 HydrophobicContact CB-CD2 4.17Å; N32-Y36 HydrophobicContact CB-CE2 4.09Å; N32-Y36 VanDerWaalsContact O-CD2 3.32Å; N32-Y36 WeakPolarHBondContact O-CD2 3.47Å; N32-Y36 PolarHBondContact O-N 3.22Å |
| 33 | L | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -51.4 | -40.5 | -178.9 | -72.3 | 174.2 | 0 | 0 | 0 | 112.8 | I28 S29 V30 N35 Y36 L37 V62 V69 I73 | I28-L33 HydrophobicContact CB-CD2 3.91Å; I28-L33 HydrophobicContact CG2-CD2 3.97Å; I28-L33 HydrophobicContact CG2-CG 4.27Å; S29-L33 PolarHBondContact O-N 3.46Å; V30-L33 PolarHBondContact O-N 3.03Å; L33-N35 PolarHBondContact O-N 2.89Å; L33-N35 VanDerWaalsContact O-N 3.13Å; L33-Y36 PolarHBondContact O-N 2.83Å; L33-L37 PolarHBondContact O-N 3.17Å; L33-V62 HydrophobicContact CD1-CG2 4.14Å; L33-V62 HydrophobicContact CD2-CG2 4.01Å; L33-V69 HydrophobicContact CD1-CG2 3.75Å; L33-I73 HydrophobicContact CB-CG2 4.31Å |
| 34 | R | 88 | Confident | 90.4 | Very high | 183 Ų | 183 | 71.5 Ų | 71.5 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58 | -28.3 | 178 | -161.9 | 171.9 | -168 | 161.8 | 5.5 | 113.9 | N32 P38 I73 | N32-R34 PolarHBondContact O-N 3.32Å; N32-R34 VanDerWaalsContact O-N 3.12Å; R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.48Å; R34-I73 HydrophobicContact CB-CD1 4.28Å |
| 35 | N | 89.1 | Confident | 90.6 | Very high | 104 Ų | 104 | 76.7 Ų | 76.7 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -92.1 | -23.8 | 178.1 | -65.8 | -31.5 | 0 | 0 | 0 | 113.1 | N32 L33 | N32-N35 PolarHBondContact O-N 3.43Å; L33-N35 PolarHBondContact O-N 2.89Å; L33-N35 VanDerWaalsContact O-N 3.13Å |
| 36 | Y | 92.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 75 Ų | 75 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -88.8 | -33.9 | -177.8 | -82.1 | -107.5 | 0 | 0 | 0 | 112.7 | I28 N32 L33 K39 C40 | I28-Y36 HydrophobicContact CD1-CD1 3.45Å; I28-Y36 VanDerWaalsContact CD1-CD1 3.45Å; I28-Y36 HydrophobicContact CD1-CD2 4.38Å; I28-Y36 HydrophobicContact CD1-CE1 3.87Å; I28-Y36 HydrophobicContact CD1-CG 3.71Å; I28-Y36 HydrophobicContact CG2-CD2 4.15Å; I28-Y36 HydrophobicContact CG2-CE2 4.41Å; I28-Y36 HydrophobicContact CG2-CG 4.4Å; N32-Y36 HydrophobicContact CB-CD2 4.17Å; N32-Y36 HydrophobicContact CB-CE2 4.09Å; N32-Y36 VanDerWaalsContact O-CD2 3.32Å; N32-Y36 WeakPolarHBondContact O-CD2 3.47Å; N32-Y36 PolarHBondContact O-N 3.22Å; L33-Y36 PolarHBondContact O-N 2.83Å; Y36-K39 WeakPolarHBondContact O-CA 3.44Å; Y36-K39 WeakPolarHBondContact O-CB 3.27Å; Y36-K39 PolarHBondContact O-N 3.06Å; Y36-C40 WeakPolarHBondContact O-CB 3.49Å; Y36-C40 PolarHBondContact O-N 3.3Å |
| 37 | L | 93.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 176.9 | -68.7 | 177.1 | 0 | 0 | 0 | 113.5 | L33 K39 C40 Q41 T58 L59 V62 I73 N76 A77 I80 | L33-L37 PolarHBondContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.9Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 3.21Å; L37-Q41 PolarHBondContact O-N 3.14Å; L37-T58 HydrophobicContact CD2-CG2 4.17Å; L37-L59 HydrophobicContact CD2-CD2 3.82Å; L37-V62 HydrophobicContact CD2-CG2 4.19Å; L37-I73 HydrophobicContact CD1-CG2 3.66Å; L37-N76 HydrophobicContact CD1-CB 4.19Å; L37-A77 HydrophobicContact CD1-CB 4.17Å; L37-A77 HydrophobicContact CD2-CB 4.06Å; L37-I80 HydrophobicContact CB-CD1 3.94Å; L37-I80 HydrophobicContact CD2-CD1 4.08Å; L37-I80 WeakPolarHBondContact O-CD1 3.32Å |
| 38 | P | 91.7 | Very high | 91.7 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.3 | -20.7 | 173.5 | -21.9 | 34.6 | 0 | 0 | 0 | 114.3 | R34 R42 | R34-P38 VanDerWaalsContact O-CD 3.26Å; R34-P38 WeakPolarHBondContact O-CD 3.48Å; P38-R42 WeakPolarHBondContact O-CG 3.32Å; P38-R42 PolarHBondContact O-N 3Å; P38-R42 PolarHBondContact O-NE 3.28Å |
| 39 | K | 91.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 72.8 Ų | 72.8 | 39% | 0.391 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -74.4 | -49.4 | 170.5 | -66.8 | 176.8 | -177.9 | 177.8 | 0 | 109.6 | Y36 L37 Q41 R42 S43 | Y36-K39 WeakPolarHBondContact O-CA 3.44Å; Y36-K39 WeakPolarHBondContact O-CB 3.27Å; Y36-K39 PolarHBondContact O-N 3.06Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.9Å; K39-Q41 VanDerWaalsContact C-N 3.29Å; K39-Q41 PolarHBondContact O-N 3.13Å; K39-R42 WeakPolarHBondContact O-CA 3.41Å; K39-R42 WeakPolarHBondContact O-CB 3.49Å; K39-R42 PolarHBondContact O-N 3.34Å; K39-S43 PolarHBondContact O-N 3.11Å; K39-S43 PolarHBondContact O-OG 2.78Å; K39-S43 VanDerWaalsContact O-OG 3.11Å |
| 40 | C | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.1 | -44.9 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 112 | Y36 L37 R42 S43 L44 Y51 T58 | Y36-C40 WeakPolarHBondContact O-CB 3.49Å; Y36-C40 PolarHBondContact O-N 3.3Å; L37-C40 WeakPolarHBondContact O-CB 3.37Å; L37-C40 PolarHBondContact O-N 3.21Å; C40-R42 PolarHBondContact O-N 3.06Å; C40-S43 WeakPolarHBondContact O-CB 3.29Å; C40-S43 PolarHBondContact O-N 3.07Å; C40-L44 PolarHBondContact O-N 2.89Å; C40-Y51 VanDerWaalsContact SG-CE2 3.57Å; C40-T58 HydrophobicContact CB-CG2 4.14Å |
| 41 | Q | 94.2 | Very high | 92.6 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 174.9 | -171.5 | 176.4 | 8.2 | 0 | 0 | 113.7 | L37 K39 T45 I80 | L37-Q41 PolarHBondContact O-N 3.14Å; K39-Q41 VanDerWaalsContact C-N 3.29Å; K39-Q41 PolarHBondContact O-N 3.13Å; Q41-T45 PolarHBondContact O-N 2.83Å; Q41-T45 VanDerWaalsContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 3.12Å; Q41-I80 HydrophobicContact CB-CD1 4.12Å; Q41-I80 HydrophobicContact CB-CG1 4.15Å; Q41-I80 HydrophobicContact CG-CG1 4.44Å |
| 42 | R | 94.7 | Very high | 93.1 | Very high | 161 Ų | 161 | 59.1 Ų | 59.1 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.7 | -43 | 173.9 | -77.2 | -179.7 | -76.3 | 166.1 | -7.7 | 111.1 | P38 K39 C40 L44 T45 S46 | P38-R42 WeakPolarHBondContact O-CG 3.32Å; P38-R42 PolarHBondContact O-N 3Å; P38-R42 PolarHBondContact O-NE 3.28Å; K39-R42 WeakPolarHBondContact O-CA 3.41Å; K39-R42 WeakPolarHBondContact O-CB 3.49Å; K39-R42 PolarHBondContact O-N 3.34Å; C40-R42 PolarHBondContact O-N 3.06Å; R42-L44 PolarHBondContact O-N 3.33Å; R42-T45 WeakPolarHBondContact O-CB 3.45Å; R42-T45 PolarHBondContact O-N 2.97Å; R42-T45 VanDerWaalsContact O-N 3.07Å; R42-S46 PolarHBondContact O-N 3.03Å; R42-S46 PolarHBondContact O-OG 3.47Å |
| 43 | S | 94.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.9 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | K39 C40 T45 S46 E47 E55 | K39-S43 PolarHBondContact O-N 3.11Å; K39-S43 PolarHBondContact O-OG 2.78Å; K39-S43 VanDerWaalsContact O-OG 3.11Å; C40-S43 WeakPolarHBondContact O-CB 3.29Å; C40-S43 PolarHBondContact O-N 3.07Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.44Å; S43-S46 WeakPolarHBondContact CA-OG 3.3Å; S43-S46 PolarHBondContact O-N 3.46Å; S43-S46 PolarHBondContact O-OG 3.3Å; S43-S46 VanDerWaalsContact O-OG 3.14Å; S43-E47 WeakPolarHBondContact O-CB 3.42Å; S43-E47 PolarHBondContact O-N 2.92Å; S43-E55 PolarHBondContact OG-OE1 3.42Å |
| 44 | L | 95.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 172.2 | 167.4 | 59.8 | 0 | 0 | 0 | 112.2 | C40 R42 G48 Y51 I80 K83 V87 | C40-L44 PolarHBondContact O-N 2.89Å; R42-L44 PolarHBondContact O-N 3.33Å; L44-G48 WeakPolarHBondContact O-CA 3.36Å; L44-G48 PolarHBondContact O-N 3.21Å; L44-G48 VanDerWaalsContact O-N 3.16Å; L44-Y51 HydrophobicContact CB-CD1 3.85Å; L44-Y51 HydrophobicContact CB-CD2 4.07Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.13Å; L44-Y51 HydrophobicContact CB-CG 3.93Å; L44-Y51 HydrophobicContact CD1-CD1 3.68Å; L44-Y51 HydrophobicContact CD1-CE1 3.48Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.48Å; L44-Y51 HydrophobicContact CD2-CE1 4.46Å; L44-Y51 HydrophobicContact CG-CD1 4.34Å; L44-Y51 HydrophobicContact CG-CE1 4.1Å; L44-I80 HydrophobicContact CD2-CG2 4.5Å; L44-K83 HydrophobicContact CD2-CB 4.34Å; L44-K83 HydrophobicContact CD2-CG 4.3Å; L44-V87 HydrophobicContact CD1-CB 4.22Å; L44-V87 HydrophobicContact CD1-CG1 4.28Å; L44-V87 HydrophobicContact CD1-CG2 4.31Å |
| 45 | T | 93.5 | Very high | 93.6 | Very high | 119 Ų | 119 | 56 Ų | 56 | 73% | 0.73 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.4 | -35.1 | -179.5 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | Q41 R42 S43 | Q41-T45 PolarHBondContact O-N 2.83Å; Q41-T45 VanDerWaalsContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 3.12Å; R42-T45 WeakPolarHBondContact O-CB 3.45Å; R42-T45 PolarHBondContact O-N 2.97Å; R42-T45 VanDerWaalsContact O-N 3.07Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.44Å |
| 46 | S | 94.6 | Very high | 93.9 | Very high | 92 Ų | 92 | 51 Ų | 51 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -86.3 | -38.8 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | R42 S43 | R42-S46 PolarHBondContact O-N 3.03Å; R42-S46 PolarHBondContact O-OG 3.47Å; S43-S46 WeakPolarHBondContact CA-OG 3.3Å; S43-S46 PolarHBondContact O-N 3.46Å; S43-S46 PolarHBondContact O-OG 3.3Å; S43-S46 VanDerWaalsContact O-OG 3.14Å |
| 47 | E | 92.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -105.5 | 0.1 | -171.7 | -61.3 | 177.2 | -166.3 | 0 | 0 | 112.9 | S43 T50 Y51 H54 | S43-E47 WeakPolarHBondContact O-CB 3.42Å; S43-E47 PolarHBondContact O-N 2.92Å; E47-T50 PolarHBondContact O-OG1 3.34Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.37Å; E47-H54 IonicContact OE2-CD2 3.81Å |
| 48 | G | 93.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | 62.7 | -145.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L44 T50 Y51 Q91 | L44-G48 WeakPolarHBondContact O-CA 3.36Å; L44-G48 PolarHBondContact O-N 3.21Å; L44-G48 VanDerWaalsContact O-N 3.16Å; G48-T50 PolarHBondContact O-N 3.12Å; G48-Y51 WeakPolarHBondContact O-CD1 3.23Å; G48-Y51 PolarHBondContact O-N 3.44Å; G48-Q91 VanDerWaalsContact CA-OE1 3.26Å |
| 49 | F | 94.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -68.5 | -17.8 | -176.8 | 80.7 | -78.6 | 0 | 0 | 0 | 114.3 | Y51 I52 V87 C88 Q91 L92 H114 A117 H121 | F49-Y51 VanDerWaalsContact C-N 3.27Å; F49-Y51 PolarHBondContact O-N 3Å; F49-I52 WeakPolarHBondContact O-CG2 3.46Å; F49-V87 HydrophobicContact CB-CG1 4.37Å; F49-C88 HydrophobicContact CB-CB 3.73Å; F49-C88 HydrophobicContact CD2-CB 4.26Å; F49-C88 VanDerWaalsContact CD2-SG 3.57Å; F49-C88 HydrophobicContact CG-CB 4.21Å; F49-Q91 HydrophobicContact CD1-CB 3.79Å; F49-Q91 HydrophobicContact CE1-CB 4.16Å; F49-L92 HydrophobicContact CE2-CD1 4.45Å; F49-L92 HydrophobicContact CZ-CB 4.46Å; F49-L92 HydrophobicContact CZ-CD1 4.1Å; F49-H114 HydrophobicContact CZ-CB 4.37Å; F49-H114 AromaticContact CZ-CD2 3.42Å; F49-H114 VanDerWaalsContact CZ-CD2 3.42Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.36Å; F49-H114 AromaticContact CZ-CG 3.99Å; F49-A117 HydrophobicContact CD2-CB 3.83Å; F49-A117 HydrophobicContact CE2-CB 3.83Å; F49-H121 PolarHBondContact O-NE2 3.36Å |
| 50 | T | 94.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -75.5 | -13.2 | -178.2 | 61.9 | 0 | 0 | 0 | 0 | 114 | E47 G48 I52 L53 | E47-T50 PolarHBondContact O-OG1 3.34Å; G48-T50 PolarHBondContact O-N 3.12Å; T50-I52 PolarHBondContact O-N 2.91Å; T50-L53 WeakPolarHBondContact O-CB 3.41Å; T50-L53 WeakPolarHBondContact O-CG 3.43Å; T50-L53 PolarHBondContact O-N 3.44Å |
| 51 | Y | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -50.6 | -31 | 174.6 | 88.9 | -77.7 | 0 | 0 | 0 | 112.9 | C40 L44 E47 G48 F49 L53 H54 E55 L59 H121 | C40-Y51 VanDerWaalsContact SG-CE2 3.57Å; L44-Y51 HydrophobicContact CB-CD1 3.85Å; L44-Y51 HydrophobicContact CB-CD2 4.07Å; L44-Y51 HydrophobicContact CB-CE1 3.85Å; L44-Y51 HydrophobicContact CB-CE2 4.13Å; L44-Y51 HydrophobicContact CB-CG 3.93Å; L44-Y51 HydrophobicContact CD1-CD1 3.68Å; L44-Y51 HydrophobicContact CD1-CE1 3.48Å; L44-Y51 VanDerWaalsContact CD1-CE1 3.48Å; L44-Y51 HydrophobicContact CD2-CE1 4.46Å; L44-Y51 HydrophobicContact CG-CD1 4.34Å; L44-Y51 HydrophobicContact CG-CE1 4.1Å; E47-Y51 WeakPolarHBondContact OE2-CA 3.37Å; G48-Y51 WeakPolarHBondContact O-CD1 3.23Å; G48-Y51 PolarHBondContact O-N 3.44Å; F49-Y51 VanDerWaalsContact C-N 3.27Å; F49-Y51 PolarHBondContact O-N 3Å; Y51-L53 PolarHBondContact O-N 3.45Å; Y51-L53 VanDerWaalsContact O-N 3.16Å; Y51-H54 PolarHBondContact O-N 2.91Å; Y51-E55 HydrophobicContact CD2-CB 3.76Å; Y51-E55 HydrophobicContact CD2-CG 4.04Å; Y51-E55 HydrophobicContact CE2-CB 4.07Å; Y51-E55 PolarHBondContact O-N 2.85Å; Y51-L59 HydrophobicContact CE2-CD1 4.41Å; Y51-H121 AromaticContact CE1-CE1 3.44Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.44Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.47Å; Y51-H121 AromaticContact CE1-NE2 3.91Å; Y51-H121 AromaticContact CZ-CE1 4Å |
| 52 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -27.2 | -175.8 | -160.8 | 62.4 | 0 | 0 | 0 | 112.2 | F49 T50 H54 E55 F56 L59 A117 M120 H121 L124 | F49-I52 WeakPolarHBondContact O-CG2 3.46Å; T50-I52 PolarHBondContact O-N 2.91Å; I52-H54 PolarHBondContact O-N 3.45Å; I52-H54 VanDerWaalsContact O-N 3.17Å; I52-E55 PolarHBondContact O-N 3.3Å; I52-F56 HydrophobicContact CD1-CB 4.46Å; I52-F56 HydrophobicContact CD1-CD2 4.46Å; I52-F56 HydrophobicContact CG1-CB 4.41Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 WeakPolarHBondContact O-CA 3.42Å; I52-F56 WeakPolarHBondContact O-CB 3.3Å; I52-F56 PolarHBondContact O-N 3.16Å; I52-L59 HydrophobicContact CD1-CD1 3.72Å; I52-A117 HydrophobicContact CG2-CB 3.73Å; I52-M120 HydrophobicContact CG1-CB 3.89Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.3Å; I52-H121 WeakPolarHBondContact CB-NE2 3.48Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.29Å; I52-L124 HydrophobicContact CD1-CD1 3.65Å; I52-L124 HydrophobicContact CG1-CD1 4.37Å |
| 53 | L | 94.2 | Very high | 94.7 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 10% | 0.099 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -21.9 | 178.8 | -60.6 | 170.2 | 0 | 0 | 0 | 112.6 | M1 T50 Y51 T113 N116 A117 M120 | M1-L53 HydrophobicContact CE-CB 4.42Å; M1-L53 HydrophobicContact CE-CD1 3.87Å; M1-L53 HydrophobicContact SD-CD1 4.09Å; M1-L53 HydrophobicContact SD-CD2 4.06Å; T50-L53 WeakPolarHBondContact O-CB 3.41Å; T50-L53 WeakPolarHBondContact O-CG 3.43Å; T50-L53 PolarHBondContact O-N 3.44Å; Y51-L53 PolarHBondContact O-N 3.45Å; Y51-L53 VanDerWaalsContact O-N 3.16Å; L53-T113 HydrophobicContact CD1-CG2 3.38Å; L53-N116 HydrophobicContact CD2-CB 3.8Å; L53-A117 HydrophobicContact CD1-CB 4.49Å; L53-A117 HydrophobicContact CD2-CB 4.1Å; L53-A117 HydrophobicContact CG-CB 4.2Å; L53-M120 HydrophobicContact CD2-SD 3.97Å |
| 54 | H | 91.4 | Very high | 94.6 | Very high | 136 Ų | 136 | 30.7 Ų | 30.7 | 63% | 0.63 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -110.7 | -23.4 | 178.8 | -60.4 | -53.3 | 0 | 0 | 0 | 113 | E47 Y51 I52 | E47-H54 IonicContact OE2-CD2 3.81Å; Y51-H54 PolarHBondContact O-N 2.91Å; I52-H54 PolarHBondContact O-N 3.45Å; I52-H54 VanDerWaalsContact O-N 3.17Å |
| 55 | E | 94 | Very high | 94.4 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -112.1 | 5 | -174.1 | -67.6 | -73 | 177.9 | 0 | 0 | 114.2 | S43 Y51 I52 D57 T58 | S43-E55 PolarHBondContact OG-OE1 3.42Å; Y51-E55 HydrophobicContact CD2-CB 3.76Å; Y51-E55 HydrophobicContact CD2-CG 4.04Å; Y51-E55 HydrophobicContact CE2-CB 4.07Å; Y51-E55 PolarHBondContact O-N 2.85Å; I52-E55 PolarHBondContact O-N 3.3Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 2.91Å; E55-T58 WeakPolarHBondContact O-CB 3.19Å; E55-T58 PolarHBondContact O-N 3.12Å; E55-T58 VanDerWaalsContact O-N 3.14Å; E55-T58 PolarHBondContact OE2-OG1 3.29Å |
| 56 | F | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.1 | -43.1 | 177.6 | -178.5 | -90.4 | 0 | 0 | 0 | 112.2 | F4 L13 Y22 V24 I52 T58 L59 F60 M120 Y123 L124 | F4-F56 AromaticContact CE2-CE1 3.96Å; F4-F56 HydrophobicContact CE2-CE1 3.96Å; F4-F56 AromaticContact CE2-CE2 3.84Å; F4-F56 HydrophobicContact CE2-CE2 3.84Å; F4-F56 AromaticContact CE2-CZ 3.52Å; F4-F56 HydrophobicContact CE2-CZ 3.52Å; F4-F56 AromaticContact CZ-CE2 3.88Å; F4-F56 HydrophobicContact CZ-CE2 3.88Å; F4-F56 AromaticContact CZ-CZ 3.69Å; F4-F56 HydrophobicContact CZ-CZ 3.69Å; L13-F56 HydrophobicContact CD1-CE1 3.96Å; L13-F56 HydrophobicContact CD1-CZ 3.89Å; Y22-F56 AromaticContact CE1-CD1 3.57Å; Y22-F56 HydrophobicContact CE1-CD1 3.57Å; Y22-F56 HydrophobicContact CE1-CE1 4.04Å; Y22-F56 HydrophobicContact CE1-CG 4.33Å; Y22-F56 AromaticContact CZ-CD1 3.98Å; V24-F56 HydrophobicContact CG2-CD1 4.18Å; V24-F56 HydrophobicContact CG2-CE1 3.97Å; I52-F56 HydrophobicContact CD1-CB 4.46Å; I52-F56 HydrophobicContact CD1-CD2 4.46Å; I52-F56 HydrophobicContact CG1-CB 4.41Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 WeakPolarHBondContact O-CA 3.42Å; I52-F56 WeakPolarHBondContact O-CB 3.3Å; I52-F56 PolarHBondContact O-N 3.16Å; F56-T58 PolarHBondContact O-N 3.43Å; F56-L59 PolarHBondContact O-N 2.86Å; F56-L59 VanDerWaalsContact O-N 3.17Å; F56-F60 HydrophobicContact CD1-CB 4.07Å; F56-F60 HydrophobicContact CE1-CB 3.81Å; F56-F60 AromaticContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CG 4.09Å; F56-F60 HydrophobicContact CZ-CB 4.42Å; F56-F60 HydrophobicContact CZ-CD2 4.27Å; F56-F60 VanDerWaalsContact O-CB 3.3Å; F56-F60 WeakPolarHBondContact O-CB 3.37Å; F56-F60 PolarHBondContact O-N 2.79Å; F56-M120 HydrophobicContact CB-CE 4.41Å; F56-M120 HydrophobicContact CB-SD 4.13Å; F56-M120 HydrophobicContact CD2-CB 3.66Å; F56-M120 HydrophobicContact CD2-CG 3.63Å; F56-M120 HydrophobicContact CD2-SD 4.06Å; F56-M120 HydrophobicContact CE2-CB 3.91Å; F56-M120 HydrophobicContact CE2-CG 3.9Å; F56-M120 HydrophobicContact CG-CE 4.42Å; F56-M120 HydrophobicContact CG-CG 4.31Å; F56-M120 HydrophobicContact CG-SD 4.25Å; F56-Y123 HydrophobicContact CE2-CD1 4.12Å; F56-Y123 AromaticContact CZ-CD1 3.86Å; F56-Y123 HydrophobicContact CZ-CD1 3.86Å; F56-Y123 HydrophobicContact CZ-CE1 4.14Å; F56-L124 HydrophobicContact CD2-CD1 3.74Å; F56-L124 HydrophobicContact CD2-CD2 4.45Å; F56-L124 HydrophobicContact CD2-CG 4.08Å; F56-L124 HydrophobicContact CE2-CD1 3.89Å; F56-L124 HydrophobicContact CE2-CD2 3.93Å; F56-L124 HydrophobicContact CE2-CG 3.68Å; F56-L124 HydrophobicContact CZ-CD2 4.27Å; F56-L124 HydrophobicContact CZ-CG 4.47Å |
| 57 | D | 94.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -37.1 | 179.4 | -75 | 10 | 0 | 0 | 0 | 111.9 | Y22 V24 N25 D26 E55 S61 | Y22-D57 PolarHBondContact OH-OD1 3.07Å; V24-D57 WeakPolarHBondContact CA-OD1 3.27Å; V24-D57 HydrophobicContact CG1-CB 4.19Å; N25-D57 PolarHBondContact N-OD2 3.46Å; D26-D57 PolarHBondContact N-OD2 3.11Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 2.91Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.44Å; D57-S61 PolarHBondContact O-N 3.43Å; D57-S61 PolarHBondContact O-OG 3.4Å |
| 58 | T | 94.9 | Very high | 94 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | I28 L37 C40 E55 F56 | I28-T58 HydrophobicContact CD1-CG2 4.16Å; L37-T58 HydrophobicContact CD2-CG2 4.17Å; C40-T58 HydrophobicContact CB-CG2 4.14Å; E55-T58 WeakPolarHBondContact O-CB 3.19Å; E55-T58 PolarHBondContact O-N 3.12Å; E55-T58 VanDerWaalsContact O-N 3.14Å; E55-T58 PolarHBondContact OE2-OG1 3.29Å; F56-T58 PolarHBondContact O-N 3.43Å |
| 59 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -76.7 | -37 | -178.1 | -64.4 | 172.2 | 0 | 0 | 0 | 111.9 | L37 Y51 I52 F56 S61 V62 L63 A77 I80 V81 L124 | L37-L59 HydrophobicContact CD2-CD2 3.82Å; Y51-L59 HydrophobicContact CE2-CD1 4.41Å; I52-L59 HydrophobicContact CD1-CD1 3.72Å; F56-L59 PolarHBondContact O-N 2.86Å; F56-L59 VanDerWaalsContact O-N 3.17Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.17Å; L59-V62 WeakPolarHBondContact O-CB 3.49Å; L59-V62 PolarHBondContact O-N 2.8Å; L59-L63 PolarHBondContact O-N 2.78Å; L59-A77 HydrophobicContact CD2-CB 4.39Å; L59-I80 HydrophobicContact CD1-CG2 4.27Å; L59-I80 HydrophobicContact CD2-CB 4.36Å; L59-I80 HydrophobicContact CD2-CG2 4.08Å; L59-V81 HydrophobicContact CD1-CG2 3.93Å; L59-V81 HydrophobicContact CD2-CG2 4.14Å; L59-V81 HydrophobicContact CG-CG2 4.42Å; L59-L124 HydrophobicContact CB-CD1 3.84Å; L59-L124 HydrophobicContact CB-CD2 4.36Å; L59-L124 HydrophobicContact CD1-CD1 3.93Å |
| 60 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 172.6 | 178.4 | -89.2 | 0 | 0 | 0 | 111.8 | K10 L13 L14 V24 F56 V62 L63 H64 Y123 | K10-F60 HydrophobicContact CD-CE2 4.41Å; K10-F60 HydrophobicContact CG-CE2 3.57Å; K10-F60 HydrophobicContact CG-CZ 3.81Å; K10-F60 WeakPolarHBondContact O-CZ 3.48Å; L13-F60 HydrophobicContact CB-CE2 3.9Å; L13-F60 HydrophobicContact CB-CZ 3.92Å; L13-F60 HydrophobicContact CD1-CD2 3.73Å; L13-F60 HydrophobicContact CD1-CE2 3.43Å; L13-F60 VanDerWaalsContact CD1-CE2 3.43Å; L13-F60 HydrophobicContact CD1-CZ 4.31Å; L13-F60 HydrophobicContact CG-CE2 4.29Å; L14-F60 HydrophobicContact CD2-CE1 3.94Å; L14-F60 HydrophobicContact CG-CE1 4.38Å; V24-F60 HydrophobicContact CB-CD1 4.18Å; V24-F60 HydrophobicContact CB-CE1 4.32Å; V24-F60 HydrophobicContact CG1-CD1 3.84Å; V24-F60 HydrophobicContact CG1-CE1 4.23Å; V24-F60 HydrophobicContact CG2-CB 4.3Å; V24-F60 HydrophobicContact CG2-CD1 3.56Å; V24-F60 HydrophobicContact CG2-CD2 4.31Å; V24-F60 HydrophobicContact CG2-CE1 3.87Å; V24-F60 HydrophobicContact CG2-CG 3.78Å; V24-F60 HydrophobicContact CG2-CZ 4.37Å; F56-F60 HydrophobicContact CD1-CB 4.07Å; F56-F60 HydrophobicContact CE1-CB 3.81Å; F56-F60 AromaticContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CD2 3.99Å; F56-F60 HydrophobicContact CE1-CG 4.09Å; F56-F60 HydrophobicContact CZ-CB 4.42Å; F56-F60 HydrophobicContact CZ-CD2 4.27Å; F56-F60 VanDerWaalsContact O-CB 3.3Å; F56-F60 WeakPolarHBondContact O-CB 3.37Å; F56-F60 PolarHBondContact O-N 2.79Å; F60-V62 PolarHBondContact O-N 3.48Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CB 3.43Å; F60-L63 PolarHBondContact O-N 3Å; F60-H64 HydrophobicContact CD1-CB 4.38Å; F60-H64 HydrophobicContact CE1-CB 4.06Å; F60-H64 PolarHBondContact O-N 3.22Å; F60-Y123 HydrophobicContact CD2-CE1 4.43Å |
| 61 | S | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -32.7 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | V27 I28 D57 L59 H64 E65 | V27-S61 WeakPolarHBondContact CA-OG 3.47Å; I28-S61 PolarHBondContact N-OG 2.97Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.44Å; D57-S61 PolarHBondContact O-N 3.43Å; D57-S61 PolarHBondContact O-OG 3.4Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.17Å; S61-H64 PolarHBondContact O-N 3.44Å; S61-E65 WeakPolarHBondContact O-CB 3.42Å; S61-E65 PolarHBondContact O-N 2.83Å |
| 62 | V | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | L33 L37 L59 F60 H64 W66 V69 A77 F128 | L33-V62 HydrophobicContact CD1-CG2 4.14Å; L33-V62 HydrophobicContact CD2-CG2 4.01Å; L37-V62 HydrophobicContact CD2-CG2 4.19Å; L59-V62 WeakPolarHBondContact O-CB 3.49Å; L59-V62 PolarHBondContact O-N 2.8Å; F60-V62 PolarHBondContact O-N 3.48Å; V62-H64 VanDerWaalsContact C-N 3.32Å; V62-H64 PolarHBondContact O-N 3.06Å; V62-W66 WeakPolarHBondContact O-CA 3.37Å; V62-W66 PolarHBondContact O-N 3.39Å; V62-V69 HydrophobicContact CG1-CG1 4.42Å; V62-A77 HydrophobicContact CB-CB 4.27Å; V62-A77 HydrophobicContact CG1-CB 3.9Å; V62-A77 HydrophobicContact CG2-CB 3.95Å; V62-F128 HydrophobicContact CB-CZ 4.13Å; V62-F128 HydrophobicContact CG1-CE1 4.16Å; V62-F128 HydrophobicContact CG1-CZ 4.03Å |
| 63 | L | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.9 | -69.5 | 172.9 | 0 | 0 | 0 | 111.8 | K10 L59 F60 W66 L124 Q127 F128 M131 | K10-L63 HydrophobicContact CD-CB 4.22Å; K10-L63 PolarHBondContact NZ-O 3.28Å; L59-L63 PolarHBondContact O-N 2.78Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 WeakPolarHBondContact O-CB 3.43Å; F60-L63 PolarHBondContact O-N 3Å; L63-W66 HydrophobicContact CD2-CE3 4.19Å; L63-W66 HydrophobicContact CD2-CZ3 4.18Å; L63-L124 HydrophobicContact CD1-CD2 3.57Å; L63-Q127 HydrophobicContact CD1-CB 3.73Å; L63-Q127 HydrophobicContact CD2-CB 4.23Å; L63-F128 HydrophobicContact CD1-CD2 3.91Å; L63-F128 HydrophobicContact CD1-CE2 3.81Å; L63-F128 HydrophobicContact CD2-CD1 4.33Å; L63-F128 HydrophobicContact CD2-CD2 3.56Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.67Å; L63-F128 HydrophobicContact CD2-CG 3.92Å; L63-F128 HydrophobicContact CD2-CZ 4.12Å; L63-F128 HydrophobicContact CG-CD2 3.81Å; L63-F128 HydrophobicContact CG-CE2 3.47Å; L63-F128 VanDerWaalsContact CG-CE2 3.47Å; L63-F128 HydrophobicContact CG-CZ 4.04Å; L63-M131 HydrophobicContact CD2-CB 4.46Å; L63-M131 HydrophobicContact CD2-CG 3.76Å |
| 64 | H | 92.4 | Very high | 92.5 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 32% | 0.324 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 179.7 | -172.6 | 70.7 | 0 | 0 | 0 | 111.2 | L14 F60 S61 V62 W66 | L14-H64 VanDerWaalsContact CD1-CE1 3.46Å; L14-H64 WeakPolarHBondContact CD1-CE1 3.31Å; F60-H64 HydrophobicContact CD1-CB 4.38Å; F60-H64 HydrophobicContact CE1-CB 4.06Å; F60-H64 PolarHBondContact O-N 3.22Å; S61-H64 PolarHBondContact O-N 3.44Å; V62-H64 VanDerWaalsContact C-N 3.32Å; V62-H64 PolarHBondContact O-N 3.06Å; H64-W66 VanDerWaalsContact C-N 3.28Å; H64-W66 PolarHBondContact O-N 3.41Å |
| 65 | E | 91.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.201 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 20.6 | -178.6 | -66 | -66.1 | 157.6 | 0 | 0 | 113.5 | V30 S61 Q67 N68 V69 | V30-E65 HydrophobicContact CG2-CB 3.86Å; V30-E65 HydrophobicContact CG2-CG 3.99Å; S61-E65 WeakPolarHBondContact O-CB 3.42Å; S61-E65 PolarHBondContact O-N 2.83Å; E65-Q67 VanDerWaalsContact C-N 3.25Å; E65-Q67 PolarHBondContact O-N 3.17Å; E65-N68 WeakPolarHBondContact O-CA 3.06Å; E65-N68 PolarHBondContact O-N 3.25Å; E65-N68 PolarHBondContact OE2-ND2 3.04Å; E65-V69 HydrophobicContact CB-CG2 3.78Å; E65-V69 VanDerWaalsContact O-CG2 3.29Å; E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 2.9Å; E65-V69 VanDerWaalsContact O-N 3.17Å |
| 66 | W | 93.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 35 Ų | 35 | 8% | 0.076 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -40.3 | -167.8 | -170.5 | -95.5 | 0 | 0 | 0 | 115.2 | V62 L63 H64 N68 K74 F128 M131 F132 E135 | V62-W66 WeakPolarHBondContact O-CA 3.37Å; V62-W66 PolarHBondContact O-N 3.39Å; L63-W66 HydrophobicContact CD2-CE3 4.19Å; L63-W66 HydrophobicContact CD2-CZ3 4.18Å; H64-W66 VanDerWaalsContact C-N 3.28Å; H64-W66 PolarHBondContact O-N 3.41Å; W66-N68 VanDerWaalsContact C-N 3.33Å; W66-K74 HydrophobicContact CD2-CD 4.25Å; W66-K74 HydrophobicContact CE3-CD 4.46Å; W66-K74 HydrophobicContact CE3-CG 4.37Å; W66-K74 HydrophobicContact CH2-CB 4.21Å; W66-K74 HydrophobicContact CH2-CD 4.04Å; W66-K74 HydrophobicContact CH2-CG 4.17Å; W66-K74 HydrophobicContact CZ2-CD 3.75Å; W66-K74 HydrophobicContact CZ2-CG 4.38Å; W66-K74 HydrophobicContact CZ3-CB 4.41Å; W66-K74 HydrophobicContact CZ3-CD 4.37Å; W66-K74 HydrophobicContact CZ3-CG 4.15Å; W66-K74 WeakPolarHBondContact O-CE 3.15Å; W66-K74 PolarHBondContact O-NZ 3.16Å; W66-K74 VanDerWaalsContact O-NZ 3.14Å; W66-F128 HydrophobicContact CH2-CD1 4.22Å; W66-F128 AromaticContact CZ3-CD1 3.86Å; W66-F128 HydrophobicContact CZ3-CD1 3.86Å; W66-F128 AromaticContact CZ3-CE1 3.82Å; W66-F128 HydrophobicContact CZ3-CE1 3.82Å; W66-M131 HydrophobicContact CD2-CB 3.77Å; W66-M131 HydrophobicContact CD2-CG 4.15Å; W66-M131 HydrophobicContact CE3-CB 3.97Å; W66-M131 HydrophobicContact CE3-CG 4.24Å; W66-M131 HydrophobicContact CG-CB 4.47Å; W66-M131 HydrophobicContact CH2-CB 3.71Å; W66-M131 HydrophobicContact CZ2-CB 3.53Å; W66-M131 HydrophobicContact CZ3-CB 3.93Å; W66-F132 HydrophobicContact CH2-CD1 4.27Å; W66-F132 AromaticContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CE1 4.17Å; 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 3.9Å; W66-F132 HydrophobicContact CH2-CZ 3.9Å; W66-F132 HydrophobicContact CZ2-CD1 4.18Å; W66-F132 HydrophobicContact CZ2-CD2 4.41Å; W66-F132 HydrophobicContact CZ2-CE1 4.34Å; W66-F132 HydrophobicContact CZ2-CG 4.21Å; W66-E135 VanDerWaalsContact CE2-OE2 3.27Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.27Å; W66-E135 PolarHBondContact NE1-OE2 3.45Å |
| 67 | Q | 89.5 | Confident | 92.6 | Very high | 185 Ų | 185 | 35 Ų | 35 | 86% | 0.864 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -22.6 | 179.9 | -65.9 | -178.9 | -6.2 | 0 | 0 | 113.5 | E65 | E65-Q67 VanDerWaalsContact C-N 3.25Å; E65-Q67 PolarHBondContact O-N 3.17Å |
| 68 | N | 89.2 | Confident | 92.6 | Very high | 107 Ų | 107 | 34.1 Ų | 34.1 | 57% | 0.572 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9.1 | -176.4 | -60.9 | -39.4 | 0 | 0 | 0 | 112.8 | V30 E65 W66 | V30-N68 WeakPolarHBondContact CG1-O 3.35Å; V30-N68 HydrophobicContact CG2-CB 3.79Å; E65-N68 WeakPolarHBondContact O-CA 3.06Å; E65-N68 PolarHBondContact O-N 3.25Å; E65-N68 PolarHBondContact OE2-ND2 3.04Å; W66-N68 VanDerWaalsContact C-N 3.33Å |
| 69 | V | 88.8 | Confident | 92.7 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -95.6 | 135 | -176.6 | 177.1 | 0 | 0 | 0 | 0 | 110 | V30 L33 V62 E65 I73 K74 | V30-V69 HydrophobicContact CG1-CG2 4.28Å; V30-V69 HydrophobicContact CG2-CG2 4.22Å; L33-V69 HydrophobicContact CD1-CG2 3.75Å; V62-V69 HydrophobicContact CG1-CG1 4.42Å; E65-V69 HydrophobicContact CB-CG2 3.78Å; E65-V69 VanDerWaalsContact O-CG2 3.29Å; E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 2.9Å; E65-V69 VanDerWaalsContact O-N 3.17Å; V69-I73 HydrophobicContact CG1-CB 3.39Å; V69-I73 HydrophobicContact CG1-CD1 4.34Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 HydrophobicContact CG1-CG2 3.3Å; V69-K74 HydrophobicContact CG1-CG 4.03Å; V69-K74 VanDerWaalsContact O-CE 3.22Å; V69-K74 WeakPolarHBondContact O-CE 3.44Å |
| 70 | D | 87.8 | Confident | 92.7 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | trans | -71.1 | 154.5 | 176.1 | 64.1 | -80.4 | 0 | 0 | 0 | 112.3 | G72 I73 K74 | D70-G72 PolarHBondContact O-N 2.99Å; D70-G72 VanDerWaalsContact O-N 3.15Å; D70-G72 PolarHBondContact OD2-N 3.4Å; D70-I73 PolarHBondContact O-N 2.98Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.44Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.41Å; D70-I73 PolarHBondContact OD2-N 3.28Å; D70-K74 PolarHBondContact O-N 2.96Å; D70-K74 VanDerWaalsContact O-N 3.16Å | ||
| 71 | S | 87 | Confident | 92.8 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.6 | -36.2 | -178.2 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | I73 K74 E75 | S71-I73 PolarHBondContact O-N 2.88Å; S71-K74 WeakPolarHBondContact O-CB 3.42Å; S71-K74 PolarHBondContact O-N 3.27Å; S71-E75 WeakPolarHBondContact O-CB 3.49Å; S71-E75 VanDerWaalsContact O-CG 3.26Å; S71-E75 WeakPolarHBondContact O-CG 3.44Å; S71-E75 PolarHBondContact O-N 3.44Å |
| 72 | G | 88.2 | Confident | 92.9 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D70 N76 | D70-G72 PolarHBondContact O-N 2.99Å; D70-G72 VanDerWaalsContact O-N 3.15Å; D70-G72 PolarHBondContact OD2-N 3.4Å; G72-N76 WeakPolarHBondContact O-CB 3.39Å; G72-N76 VanDerWaalsContact O-CG 3.22Å; G72-N76 PolarHBondContact O-N 2.85Å; G72-N76 VanDerWaalsContact O-N 3.08Å; G72-N76 PolarHBondContact O-ND2 3.23Å |
| 73 | I | 91.7 | Very high | 93 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.8 | -40.4 | 173.7 | -66 | 179.7 | 0 | 0 | 0 | 110.7 | L33 R34 L37 V69 D70 S71 E75 N76 A77 | L33-I73 HydrophobicContact CB-CG2 4.31Å; R34-I73 HydrophobicContact CB-CD1 4.28Å; L37-I73 HydrophobicContact CD1-CG2 3.66Å; V69-I73 HydrophobicContact CG1-CB 3.39Å; V69-I73 HydrophobicContact CG1-CD1 4.34Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 HydrophobicContact CG1-CG2 3.3Å; D70-I73 PolarHBondContact O-N 2.98Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.44Å; D70-I73 VanDerWaalsContact OD1-CG1 3.24Å; D70-I73 WeakPolarHBondContact OD1-CG1 3.41Å; D70-I73 PolarHBondContact OD2-N 3.28Å; S71-I73 PolarHBondContact O-N 2.88Å; I73-E75 PolarHBondContact O-N 3.32Å; I73-N76 PolarHBondContact O-N 2.89Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 3.14Å |
| 74 | K | 94.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 176 | -63.7 | 176 | -179.9 | 176.7 | 0 | 111.5 | W66 V69 D70 S71 A77 W78 F132 E135 | W66-K74 HydrophobicContact CD2-CD 4.25Å; W66-K74 HydrophobicContact CE3-CD 4.46Å; W66-K74 HydrophobicContact CE3-CG 4.37Å; W66-K74 HydrophobicContact CH2-CB 4.21Å; W66-K74 HydrophobicContact CH2-CD 4.04Å; W66-K74 HydrophobicContact CH2-CG 4.17Å; W66-K74 HydrophobicContact CZ2-CD 3.75Å; W66-K74 HydrophobicContact CZ2-CG 4.38Å; W66-K74 HydrophobicContact CZ3-CB 4.41Å; W66-K74 HydrophobicContact CZ3-CD 4.37Å; W66-K74 HydrophobicContact CZ3-CG 4.15Å; W66-K74 WeakPolarHBondContact O-CE 3.15Å; W66-K74 PolarHBondContact O-NZ 3.16Å; W66-K74 VanDerWaalsContact O-NZ 3.14Å; V69-K74 HydrophobicContact CG1-CG 4.03Å; V69-K74 VanDerWaalsContact O-CE 3.22Å; V69-K74 WeakPolarHBondContact O-CE 3.44Å; D70-K74 PolarHBondContact O-N 2.96Å; D70-K74 VanDerWaalsContact O-N 3.16Å; S71-K74 WeakPolarHBondContact O-CB 3.42Å; S71-K74 PolarHBondContact O-N 3.27Å; K74-A77 PolarHBondContact O-N 2.9Å; K74-W78 WeakPolarHBondContact O-CB 3.45Å; K74-W78 PolarHBondContact O-N 3.17Å; K74-F132 HydrophobicContact CB-CE1 4.23Å; K74-F132 HydrophobicContact CB-CZ 3.92Å; K74-E135 IonicContact NZ-OE1 2.99Å; K74-E135 PolarHBondContact NZ-OE1 2.82Å; K74-E135 IonicContact NZ-OE2 3.81Å; K74-E135 PolarHBondContact NZ-OE2 2.91Å |
| 75 | E | 92.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 178.6 | -69.8 | -178.5 | -175.6 | 0 | 0 | 112.4 | S71 I73 A77 W78 H79 L169 C170 M171 | S71-E75 WeakPolarHBondContact O-CB 3.49Å; S71-E75 VanDerWaalsContact O-CG 3.26Å; S71-E75 WeakPolarHBondContact O-CG 3.44Å; S71-E75 PolarHBondContact O-N 3.44Å; I73-E75 PolarHBondContact O-N 3.32Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 3.19Å; E75-W78 WeakPolarHBondContact O-CB 3.35Å; E75-W78 PolarHBondContact O-N 3.49Å; E75-H79 PolarHBondContact O-CD2 3.45Å; E75-H79 PolarHBondContact O-N 3.31Å; E75-L169 HydrophobicContact CG-CD2 4.27Å; E75-L169 WeakPolarHBondContact OE1-CA 3.28Å; E75-C170 PolarHBondContact OE1-N 3.14Å; E75-C170 VanDerWaalsContact OE2-CB 3.27Å; E75-C170 WeakPolarHBondContact OE2-CB 3.26Å; E75-M171 HydrophobicContact CB-CE 3.5Å; E75-M171 VanDerWaalsContact CB-CE 3.5Å; E75-M171 HydrophobicContact CG-CE 3.49Å; E75-M171 VanDerWaalsContact CG-CE 3.49Å; E75-M171 HydrophobicContact CG-CG 4.44Å; E75-M171 HydrophobicContact CG-SD 4.3Å |
| 76 | N | 93 | Very high | 93.7 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.2 | -76.4 | -41.4 | 0 | 0 | 0 | 111.8 | L37 G72 I73 H79 I80 | L37-N76 HydrophobicContact CD1-CB 4.19Å; G72-N76 WeakPolarHBondContact O-CB 3.39Å; G72-N76 VanDerWaalsContact O-CG 3.22Å; G72-N76 PolarHBondContact O-N 2.85Å; G72-N76 VanDerWaalsContact O-N 3.08Å; G72-N76 PolarHBondContact O-ND2 3.23Å; I73-N76 PolarHBondContact O-N 2.89Å; N76-H79 PolarHBondContact O-N 2.92Å; N76-I80 WeakPolarHBondContact O-CG1 3.48Å; N76-I80 PolarHBondContact O-N 2.97Å; N76-I80 VanDerWaalsContact O-N 3.17Å |
| 77 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 L59 V62 I73 K74 E75 H79 I80 V81 F128 | L37-A77 HydrophobicContact CD1-CB 4.17Å; L37-A77 HydrophobicContact CD2-CB 4.06Å; L59-A77 HydrophobicContact CD2-CB 4.39Å; V62-A77 HydrophobicContact CB-CB 4.27Å; V62-A77 HydrophobicContact CG1-CB 3.9Å; V62-A77 HydrophobicContact CG2-CB 3.95Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 3.14Å; K74-A77 PolarHBondContact O-N 2.9Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 3.19Å; A77-H79 PolarHBondContact O-N 3.34Å; A77-I80 PolarHBondContact O-N 3.07Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.24Å; A77-V81 PolarHBondContact O-N 2.92Å; A77-F128 HydrophobicContact CB-CE1 3.73Å; A77-F128 HydrophobicContact CB-CZ 3.75Å |
| 78 | W | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.4 | -52 | 172.4 | 171.6 | -107.1 | 0 | 0 | 0 | 112 | K74 E75 I80 V81 L82 L125 F128 V129 F132 M171 W173 E176 A180 | K74-W78 WeakPolarHBondContact O-CB 3.45Å; K74-W78 PolarHBondContact O-N 3.17Å; E75-W78 WeakPolarHBondContact O-CB 3.35Å; E75-W78 PolarHBondContact O-N 3.49Å; W78-I80 VanDerWaalsContact C-N 3.26Å; W78-I80 PolarHBondContact O-N 3.23Å; W78-V81 PolarHBondContact O-N 2.99Å; W78-V81 VanDerWaalsContact O-N 3.12Å; W78-L82 HydrophobicContact CZ2-CB 4.45Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 2.94Å; W78-L82 PolarHBondContact O-N 2.83Å; W78-L125 HydrophobicContact CH2-CD1 3.92Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; W78-F128 HydrophobicContact CE3-CB 3.78Å; W78-F128 HydrophobicContact CE3-CD1 4.43Å; W78-F128 HydrophobicContact CE3-CG 4.43Å; W78-F128 HydrophobicContact CZ3-CB 3.88Å; W78-V129 HydrophobicContact CH2-CG2 3.7Å; W78-V129 HydrophobicContact CZ3-CG2 3.85Å; W78-F132 HydrophobicContact CB-CE2 3.81Å; W78-F132 HydrophobicContact CB-CZ 4.12Å; W78-F132 HydrophobicContact CD2-CE2 4.24Å; W78-F132 HydrophobicContact CE3-CD2 4.28Å; W78-F132 HydrophobicContact CE3-CE2 4.09Å; W78-F132 HydrophobicContact CG-CE2 4.14Å; W78-M171 HydrophobicContact CB-CE 4.36Å; W78-M171 HydrophobicContact CG-CE 4.19Å; W78-M171 HydrophobicContact CG-SD 4.3Å; W78-W173 HydrophobicContact CD2-CZ3 4.36Å; W78-W173 HydrophobicContact CE3-CZ3 4.49Å; W78-W173 AromaticContact CH2-CH2 4Å; W78-W173 HydrophobicContact CH2-CH2 4Å; W78-W173 HydrophobicContact CH2-CZ3 4.12Å; W78-W173 HydrophobicContact CZ2-CH2 4.35Å; W78-W173 HydrophobicContact CZ2-CZ3 4.03Å; W78-W173 HydrophobicContact CZ3-CH2 4.22Å; W78-W173 HydrophobicContact CZ3-CZ3 4.37Å; W78-E176 HydrophobicContact CZ2-CB 4.04Å; W78-E176 PolarHBondContact NE1-OE2 3.16Å; W78-A180 HydrophobicContact CH2-CB 3.51Å; W78-A180 HydrophobicContact CZ2-CB 3.9Å |
| 79 | H | 95.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 27.6 Ų | 27.6 | 40% | 0.398 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.5 | -37.2 | -179.8 | -70.9 | -51.2 | 0 | 0 | 0 | 112.2 | E75 N76 A77 K83 M171 | E75-H79 PolarHBondContact O-CD2 3.45Å; E75-H79 PolarHBondContact O-N 3.31Å; N76-H79 PolarHBondContact O-N 2.92Å; A77-H79 PolarHBondContact O-N 3.34Å; H79-K83 WeakPolarHBondContact O-CB 3.29Å; H79-K83 PolarHBondContact O-N 3.46Å; H79-M171 WeakPolarHBondContact NE2-CE 3.37Å |
| 80 | I | 97.5 | Very high | 95 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 175.1 | -65.4 | 164.1 | 0 | 0 | 0 | 111 | L37 Q41 L44 L59 N76 A77 W78 G84 | L37-I80 HydrophobicContact CB-CD1 3.94Å; L37-I80 HydrophobicContact CD2-CD1 4.08Å; 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 4.5Å; L59-I80 HydrophobicContact CD1-CG2 4.27Å; L59-I80 HydrophobicContact CD2-CB 4.36Å; L59-I80 HydrophobicContact CD2-CG2 4.08Å; N76-I80 WeakPolarHBondContact O-CG1 3.48Å; N76-I80 PolarHBondContact O-N 2.97Å; N76-I80 VanDerWaalsContact O-N 3.17Å; A77-I80 PolarHBondContact O-N 3.07Å; W78-I80 VanDerWaalsContact C-N 3.26Å; W78-I80 PolarHBondContact O-N 3.23Å; I80-G84 WeakPolarHBondContact O-CA 3.33Å; I80-G84 PolarHBondContact O-N 3.39Å |
| 81 | V | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -53.8 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L59 A77 W78 K83 G84 Y85 L124 L125 F128 | L59-V81 HydrophobicContact CD1-CG2 3.93Å; L59-V81 HydrophobicContact CD2-CG2 4.14Å; L59-V81 HydrophobicContact CG-CG2 4.42Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.24Å; A77-V81 PolarHBondContact O-N 2.92Å; W78-V81 PolarHBondContact O-N 2.99Å; W78-V81 VanDerWaalsContact O-N 3.12Å; V81-K83 PolarHBondContact O-N 2.65Å; V81-G84 PolarHBondContact O-N 2.74Å; V81-Y85 WeakPolarHBondContact O-CB 3.49Å; V81-Y85 PolarHBondContact O-N 3.12Å; V81-L124 HydrophobicContact CG1-CB 4.1Å; V81-L124 HydrophobicContact CG2-CB 4.38Å; V81-L125 HydrophobicContact CG1-CB 4.05Å; V81-L125 HydrophobicContact CG1-CD1 4.01Å; V81-F128 HydrophobicContact CG1-CD2 4.4Å; V81-F128 HydrophobicContact CG2-CD2 3.92Å; V81-F128 HydrophobicContact CG2-CE2 3.73Å; V81-F128 HydrophobicContact CG2-CZ 4.19Å |
| 82 | L | 98.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 179.2 | -179.6 | 60.6 | 0 | 0 | 0 | 110.8 | W78 G84 Y85 E86 L125 E176 K179 A180 | W78-L82 HydrophobicContact CZ2-CB 4.45Å; W78-L82 HydrophobicContact CZ2-CD2 4.01Å; W78-L82 WeakPolarHBondContact O-CB 2.94Å; W78-L82 PolarHBondContact O-N 2.83Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.14Å; L82-Y85 WeakPolarHBondContact O-CB 3.26Å; L82-Y85 PolarHBondContact O-N 2.88Å; L82-E86 WeakPolarHBondContact O-CG 3.13Å; L82-E86 PolarHBondContact O-N 2.64Å; L82-L125 HydrophobicContact CB-CD1 4.47Å; L82-L125 HydrophobicContact CD1-CD1 4.12Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.21Å; L82-K179 HydrophobicContact CD2-CB 4.17Å; L82-K179 HydrophobicContact CD2-CD 4.48Å; L82-A180 HydrophobicContact CD1-CB 4.15Å |
| 83 | K | 97.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 44% | 0.435 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 178.2 | -170.4 | 55.8 | 172.8 | -175.7 | 0 | 112.2 | L44 H79 V81 Y85 E86 V87 | L44-K83 HydrophobicContact CD2-CB 4.34Å; L44-K83 HydrophobicContact CD2-CG 4.3Å; H79-K83 WeakPolarHBondContact O-CB 3.29Å; H79-K83 PolarHBondContact O-N 3.46Å; V81-K83 PolarHBondContact O-N 2.65Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 2.73Å; K83-E86 VanDerWaalsContact CD-OE2 3.25Å; K83-E86 WeakPolarHBondContact CD-OE2 3.37Å; K83-E86 IonicContact NZ-OE2 2.89Å; K83-E86 PolarHBondContact NZ-OE2 3.46Å; K83-E86 PolarHBondContact O-N 3.02Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.35Å; K83-V87 PolarHBondContact O-N 3.45Å |
| 84 | G | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I80 V81 L82 V87 C88 | I80-G84 WeakPolarHBondContact O-CA 3.33Å; I80-G84 PolarHBondContact O-N 3.39Å; V81-G84 PolarHBondContact O-N 2.74Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.14Å; G84-V87 PolarHBondContact O-N 2.94Å; G84-C88 WeakPolarHBondContact O-CB 3.31Å; G84-C88 PolarHBondContact O-N 2.91Å |
| 85 | Y | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 175.3 | -151.2 | -91.6 | 0 | 0 | 0 | 112.6 | V81 L82 K83 V87 C88 V89 H121 T122 L125 A183 L184 I187 | V81-Y85 WeakPolarHBondContact O-CB 3.49Å; V81-Y85 PolarHBondContact O-N 3.12Å; L82-Y85 WeakPolarHBondContact O-CB 3.26Å; L82-Y85 PolarHBondContact O-N 2.88Å; K83-Y85 VanDerWaalsContact C-N 3.27Å; K83-Y85 PolarHBondContact O-N 2.73Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 3.08Å; Y85-C88 CarbonylContact O-C 3.14Å; Y85-C88 WeakPolarHBondContact O-CA 2.95Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.22Å; Y85-C88 PolarHBondContact O-N 3.33Å; Y85-V89 HydrophobicContact CD1-CG2 4.11Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.39Å; Y85-V89 PolarHBondContact O-N 3.4Å; Y85-H121 HydrophobicContact CD2-CB 3.7Å; Y85-H121 HydrophobicContact CE2-CB 3.87Å; Y85-T122 VanDerWaalsContact CE2-CA 3.5Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.45Å; Y85-T122 PolarHBondContact OH-OG1 3.42Å; Y85-L125 HydrophobicContact CD1-CD2 3.68Å; Y85-L125 HydrophobicContact CD2-CB 4.02Å; Y85-L125 HydrophobicContact CD2-CD2 3.79Å; Y85-L125 HydrophobicContact CE1-CD2 4Å; Y85-L125 HydrophobicContact CE2-CB 4.41Å; Y85-L125 HydrophobicContact CE2-CD2 4.18Å; Y85-L125 HydrophobicContact CG-CD2 3.54Å; Y85-A183 HydrophobicContact CD1-CB 3.81Å; Y85-A183 HydrophobicContact CE1-CB 4.37Å; Y85-L184 HydrophobicContact CE1-CD2 4.04Å; Y85-L184 HydrophobicContact CE2-CD2 4.44Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.43Å; Y85-I187 HydrophobicContact CE1-CB 3.97Å; Y85-I187 HydrophobicContact CE1-CG2 3.95Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.28Å |
| 86 | E | 97.9 | Very high | 95.5 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 28% | 0.276 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.7 | -36.8 | 174.8 | -70.3 | 179.8 | 168.3 | 0 | 0 | 112.4 | L82 K83 R90 | L82-E86 WeakPolarHBondContact O-CG 3.13Å; L82-E86 PolarHBondContact O-N 2.64Å; K83-E86 VanDerWaalsContact CD-OE2 3.25Å; K83-E86 WeakPolarHBondContact CD-OE2 3.37Å; K83-E86 IonicContact NZ-OE2 2.89Å; K83-E86 PolarHBondContact NZ-OE2 3.46Å; K83-E86 PolarHBondContact O-N 3.02Å; E86-R90 PolarHBondContact O-N 2.88Å; E86-R90 PolarHBondContact O-NH2 3.43Å |
| 87 | V | 97.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L44 F49 K83 G84 Y85 R90 Q91 | L44-V87 HydrophobicContact CD1-CB 4.22Å; L44-V87 HydrophobicContact CD1-CG1 4.28Å; L44-V87 HydrophobicContact CD1-CG2 4.31Å; F49-V87 HydrophobicContact CB-CG1 4.37Å; K83-V87 VanDerWaalsContact O-CG2 3.27Å; K83-V87 WeakPolarHBondContact O-CG2 3.35Å; K83-V87 PolarHBondContact O-N 3.45Å; G84-V87 PolarHBondContact O-N 2.94Å; Y85-V87 VanDerWaalsContact C-N 3.26Å; Y85-V87 PolarHBondContact O-N 3.08Å; V87-R90 PolarHBondContact O-N 3.37Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.31Å; V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 3.14Å |
| 88 | C | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 172.7 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | F49 G84 Y85 R90 Q91 L92 | F49-C88 HydrophobicContact CB-CB 3.73Å; F49-C88 HydrophobicContact CD2-CB 4.26Å; F49-C88 VanDerWaalsContact CD2-SG 3.57Å; F49-C88 HydrophobicContact CG-CB 4.21Å; G84-C88 WeakPolarHBondContact O-CB 3.31Å; G84-C88 PolarHBondContact O-N 2.91Å; Y85-C88 CarbonylContact O-C 3.14Å; Y85-C88 WeakPolarHBondContact O-CA 2.95Å; Y85-C88 VanDerWaalsContact O-CB 3.24Å; Y85-C88 WeakPolarHBondContact O-CB 3.22Å; Y85-C88 PolarHBondContact O-N 3.33Å; C88-R90 VanDerWaalsContact C-N 3.34Å; C88-R90 PolarHBondContact O-N 2.9Å; C88-Q91 PolarHBondContact O-N 3.18Å; C88-L92 WeakPolarHBondContact O-CA 3.44Å; C88-L92 WeakPolarHBondContact O-CB 3.49Å; C88-L92 PolarHBondContact O-N 2.93Å |
| 89 | V | 97.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.2 | -51.4 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | Y85 G93 Q186 I187 | Y85-V89 HydrophobicContact CD1-CG2 4.11Å; Y85-V89 HydrophobicContact CE1-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.39Å; Y85-V89 PolarHBondContact O-N 3.4Å; V89-G93 WeakPolarHBondContact O-CA 3.33Å; V89-G93 PolarHBondContact O-N 3.14Å; V89-Q186 HydrophobicContact CG1-CB 3.76Å; V89-Q186 HydrophobicContact CG2-CB 4.38Å; 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 4.37Å |
| 90 | R | 96.1 | Very high | 92.3 | Very high | 137 Ų | 137 | 38.3 Ų | 38.3 | 52% | 0.517 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71 | -47.4 | -175.5 | -164.6 | -171.4 | -41.3 | 89.4 | 15.7 | 113 | E86 V87 C88 S94 | E86-R90 PolarHBondContact O-N 2.88Å; E86-R90 PolarHBondContact O-NH2 3.43Å; V87-R90 PolarHBondContact O-N 3.37Å; C88-R90 VanDerWaalsContact C-N 3.34Å; C88-R90 PolarHBondContact O-N 2.9Å; R90-S94 PolarHBondContact O-N 3.16Å; R90-S94 VanDerWaalsContact O-N 3.1Å |
| 91 | Q | 95.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -74.7 | -43.8 | -175.5 | -70.4 | -177.1 | -13.3 | 0 | 0 | 111.3 | G48 F49 V87 C88 G93 S94 V95 | G48-Q91 VanDerWaalsContact CA-OE1 3.26Å; F49-Q91 HydrophobicContact CD1-CB 3.79Å; F49-Q91 HydrophobicContact CE1-CB 4.16Å; V87-Q91 HydrophobicContact CG1-CG 4.12Å; V87-Q91 WeakPolarHBondContact O-CB 3.31Å; V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 3.14Å; C88-Q91 PolarHBondContact O-N 3.18Å; Q91-G93 VanDerWaalsContact C-N 3.32Å; Q91-G93 PolarHBondContact O-N 2.69Å; Q91-S94 PolarHBondContact O-N 2.89Å; Q91-V95 WeakPolarHBondContact O-CG2 3.33Å; Q91-V95 PolarHBondContact O-N 3.12Å |
| 92 | L | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66 | -37.6 | 175.6 | -171.4 | 62 | 0 | 0 | 0 | 111.2 | F49 C88 V95 L96 H114 L118 I187 L192 L195 | F49-L92 HydrophobicContact CE2-CD1 4.45Å; F49-L92 HydrophobicContact CZ-CB 4.46Å; F49-L92 HydrophobicContact CZ-CD1 4.1Å; C88-L92 WeakPolarHBondContact O-CA 3.44Å; C88-L92 WeakPolarHBondContact O-CB 3.49Å; C88-L92 PolarHBondContact O-N 2.93Å; L92-V95 PolarHBondContact O-N 2.85Å; L92-L96 HydrophobicContact CD1-CD1 4.36Å; L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CD2-CD1 4.47Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.2Å; L92-H114 HydrophobicContact CD1-CB 4.04Å; L92-L118 HydrophobicContact CD2-CB 4.38Å; L92-L118 HydrophobicContact CD2-CD1 4.19Å; L92-L118 HydrophobicContact CD2-CD2 4.2Å; L92-L118 HydrophobicContact CD2-CG 4.5Å; L92-I187 HydrophobicContact CD2-CD1 4.23Å; L92-L192 HydrophobicContact CD2-CD2 4.09Å; L92-L195 HydrophobicContact CD1-CD1 4.23Å; L92-L195 HydrophobicContact CD2-CD1 4.09Å |
| 93 | G | 92.5 | Very high | 88.4 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V89 Q91 V95 L96 E97 | V89-G93 WeakPolarHBondContact O-CA 3.33Å; V89-G93 PolarHBondContact O-N 3.14Å; Q91-G93 VanDerWaalsContact C-N 3.32Å; Q91-G93 PolarHBondContact O-N 2.69Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 3.21Å; G93-L96 PolarHBondContact O-N 3.46Å; G93-E97 WeakPolarHBondContact O-CB 3.24Å; G93-E97 WeakPolarHBondContact O-CG 3.42Å; G93-E97 PolarHBondContact O-N 3.18Å |
| 94 | S | 90.6 | Very high | 87.1 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 53% | 0.531 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | R90 Q91 E97 S98 | R90-S94 PolarHBondContact O-N 3.16Å; R90-S94 VanDerWaalsContact O-N 3.1Å; Q91-S94 PolarHBondContact O-N 2.89Å; S94-E97 PolarHBondContact O-N 2.8Å; S94-S98 WeakPolarHBondContact O-CB 3.46Å; S94-S98 PolarHBondContact O-N 3.04Å |
| 95 | V | 88.9 | Confident | 86 | Confident | 35 Ų | 35 | 56 Ų | 56 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -49 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | Q91 L92 G93 E97 S98 T99 L106 | Q91-V95 WeakPolarHBondContact O-CG2 3.33Å; Q91-V95 PolarHBondContact O-N 3.12Å; L92-V95 PolarHBondContact O-N 2.85Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 3.21Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.26Å; V95-S98 PolarHBondContact O-N 3.4Å; V95-S98 PolarHBondContact O-OG 3.08Å; V95-T99 PolarHBondContact O-N 2.87Å; V95-T99 VanDerWaalsContact O-N 3.11Å; V95-T99 PolarHBondContact O-OG1 2.93Å; V95-L106 HydrophobicContact CG1-CD1 4.28Å; V95-L106 HydrophobicContact CG1-CD2 3.89Å; V95-L106 HydrophobicContact CG1-CG 4.47Å |
| 96 | L | 89.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.5 | -21.6 | -178.8 | -67.5 | 175.1 | 0 | 0 | 0 | 113.9 | L92 G93 T99 Q100 L190 L192 Q194 L195 | L92-L96 HydrophobicContact CD1-CD1 4.36Å; L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CD2-CD1 4.47Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.2Å; G93-L96 PolarHBondContact O-N 3.46Å; L96-T99 VanDerWaalsContact C-OG1 3.28Å; L96-T99 WeakPolarHBondContact CA-OG1 3.49Å; L96-T99 PolarHBondContact O-OG1 3.46Å; L96-Q100 WeakPolarHBondContact O-CG 3.42Å; L96-Q100 PolarHBondContact O-NE2 3.17Å; L96-L190 HydrophobicContact CD1-CB 4.03Å; L96-L192 HydrophobicContact CD1-CD2 3.98Å; L96-Q194 HydrophobicContact CD2-CB 4Å; L96-L195 HydrophobicContact CD2-CD2 4.18Å; L96-L195 HydrophobicContact CD2-CG 4.34Å |
| 97 | E | 86.9 | Confident | 84.5 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.4 | -40.7 | 169.9 | -76 | 174.2 | -177.1 | 0 | 0 | 111 | G93 S94 V95 T99 Q100 T101 | G93-E97 WeakPolarHBondContact O-CB 3.24Å; G93-E97 WeakPolarHBondContact O-CG 3.42Å; G93-E97 PolarHBondContact O-N 3.18Å; S94-E97 PolarHBondContact O-N 2.8Å; V95-E97 VanDerWaalsContact C-N 3.31Å; V95-E97 PolarHBondContact O-N 3.26Å; E97-T99 VanDerWaalsContact C-N 3.27Å; E97-T99 PolarHBondContact O-N 3.28Å; E97-Q100 WeakPolarHBondContact O-CB 3.28Å; E97-Q100 PolarHBondContact O-N 3.38Å; E97-Q100 VanDerWaalsContact O-N 3.1Å; E97-T101 PolarHBondContact O-N 3.45Å; E97-T101 VanDerWaalsContact O-N 3.11Å; E97-T101 PolarHBondContact O-OG1 3.36Å |
| 98 | S | 83.2 | Confident | 83.9 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -29.7 | 177.2 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | S94 V95 T101 Q103 S104 | S94-S98 WeakPolarHBondContact O-CB 3.46Å; S94-S98 PolarHBondContact O-N 3.04Å; V95-S98 PolarHBondContact O-N 3.4Å; V95-S98 PolarHBondContact O-OG 3.08Å; S98-T101 PolarHBondContact O-OG1 3.45Å; S98-T101 VanDerWaalsContact O-OG1 3.14Å; S98-Q103 PolarHBondContact O-N 3.14Å; S98-S104 PolarHBondContact O-N 3.04Å |
| 99 | T | 76.7 | Confident | 83.3 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72 | -31 | 172.9 | 51 | 0 | 0 | 0 | 0 | 112.7 | V95 L96 E97 G102 S104 L106 Q194 | V95-T99 PolarHBondContact O-N 2.87Å; V95-T99 VanDerWaalsContact O-N 3.11Å; V95-T99 PolarHBondContact O-OG1 2.93Å; L96-T99 VanDerWaalsContact C-OG1 3.28Å; L96-T99 WeakPolarHBondContact CA-OG1 3.49Å; L96-T99 PolarHBondContact O-OG1 3.46Å; E97-T99 VanDerWaalsContact C-N 3.27Å; E97-T99 PolarHBondContact O-N 3.28Å; T99-G102 PolarHBondContact O-N 3.15Å; T99-S104 VanDerWaalsContact CA-O 3.31Å; T99-S104 WeakPolarHBondContact CA-O 3.08Å; T99-L106 HydrophobicContact CG2-CD1 3.73Å; T99-L106 HydrophobicContact CG2-CG 3.62Å; T99-Q194 PolarHBondContact OG1-OE1 3.29Å |
| 100 | Q | 68.1 | Low | 82.8 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.1 | -36.9 | 177.2 | -73 | 173.1 | 61.9 | 0 | 0 | 113 | L96 E97 G102 K191 | L96-Q100 WeakPolarHBondContact O-CG 3.42Å; L96-Q100 PolarHBondContact O-NE2 3.17Å; E97-Q100 WeakPolarHBondContact O-CB 3.28Å; E97-Q100 PolarHBondContact O-N 3.38Å; E97-Q100 VanDerWaalsContact O-N 3.1Å; Q100-G102 PolarHBondContact O-N 3.49Å; Q100-K191 HydrophobicContact CG-CD 4.43Å |
| 101 | T | 74.5 | Confident | 82.5 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.6 | 176.5 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | E97 S98 Q103 | E97-T101 PolarHBondContact O-N 3.45Å; E97-T101 VanDerWaalsContact O-N 3.11Å; E97-T101 PolarHBondContact O-OG1 3.36Å; S98-T101 PolarHBondContact O-OG1 3.45Å; S98-T101 VanDerWaalsContact O-OG1 3.14Å; T101-Q103 PolarHBondContact O-N 3.35Å; T101-Q103 VanDerWaalsContact OG1-CD 3.3Å; T101-Q103 VanDerWaalsContact OG1-CG 3.29Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.37Å; T101-Q103 PolarHBondContact OG1-OE1 3.21Å |
| 102 | G | 68.4 | Low | 82.2 | Confident | 60 Ų | 60 | 67 Ų | 67 | 62% | 0.619 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 10.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T99 Q100 S104 | T99-G102 PolarHBondContact O-N 3.15Å; Q100-G102 PolarHBondContact O-N 3.49Å; G102-S104 VanDerWaalsContact C-N 3.32Å |
| 103 | Q | 68.1 | Low | 82.1 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -73.1 | -26.6 | 179.6 | -71.2 | 174.7 | -10.7 | 0 | 0 | 112.3 | S98 T101 | S98-Q103 PolarHBondContact O-N 3.14Å; T101-Q103 PolarHBondContact O-N 3.35Å; T101-Q103 VanDerWaalsContact OG1-CD 3.3Å; T101-Q103 VanDerWaalsContact OG1-CG 3.29Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.37Å; T101-Q103 PolarHBondContact OG1-OE1 3.21Å |
| 104 | S | 70.6 | Confident | 82.2 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | trans | -140.7 | 143.9 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | S98 T99 G102 | S98-S104 PolarHBondContact O-N 3.04Å; T99-S104 VanDerWaalsContact CA-O 3.31Å; T99-S104 WeakPolarHBondContact CA-O 3.08Å; G102-S104 VanDerWaalsContact C-N 3.32Å | ||
| 105 | V | 73.9 | Confident | 82.4 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | trans | -116.8 | 117.2 | 169.8 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | N107 | V105-N107 PolarHBondContact O-N 2.85Š| ||
| 106 | L | 80.1 | Confident | 82.7 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | trans | -66.9 | 122.5 | 176.7 | -72.6 | 165.9 | 0 | 0 | 0 | 109.4 | V95 T99 E110 M111 L195 | V95-L106 HydrophobicContact CG1-CD1 4.28Å; V95-L106 HydrophobicContact CG1-CD2 3.89Å; V95-L106 HydrophobicContact CG1-CG 4.47Å; T99-L106 HydrophobicContact CG2-CD1 3.73Å; T99-L106 HydrophobicContact CG2-CG 3.62Å; L106-E110 HydrophobicContact CD2-CB 3.85Å; L106-M111 HydrophobicContact CB-CG 3.63Å; L106-M111 HydrophobicContact CD1-CG 4.44Å; L106-L195 HydrophobicContact CD1-CD2 4.28Å | ||
| 107 | N | 85 | Confident | 83 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | trans | -73.8 | 161 | 169.5 | 64.7 | 45.9 | 0 | 0 | 0 | 110.3 | V105 T109 E110 M111 | V105-N107 PolarHBondContact O-N 2.85Å; N107-T109 PolarHBondContact O-N 3.39Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 PolarHBondContact OD1-N 3.32Å; N107-T109 PolarHBondContact OD1-OG1 3.32Å; N107-E110 VanDerWaalsContact CG-CD 3.41Å; N107-E110 PolarHBondContact N-OE2 3.37Å; N107-E110 VanDerWaalsContact N-OE2 3.12Å; N107-E110 PolarHBondContact ND2-OE1 3.46Å; N107-E110 PolarHBondContact ND2-OE2 3.38Å; N107-E110 PolarHBondContact O-N 3.38Å; N107-E110 WeakPolarHBondContact OD1-CB 3.1Å; N107-E110 VanDerWaalsContact OD1-CG 3.23Å; N107-E110 WeakPolarHBondContact OD1-CG 3.36Å; N107-E110 PolarHBondContact OD1-N 3.41Å; N107-M111 WeakPolarHBondContact O-CG 3.46Å; N107-M111 PolarHBondContact O-N 3.47Å | ||
| 108 | R | 83.7 | Confident | 83.5 | Confident | 180 Ų | 180 | 59.9 Ų | 59.9 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.4 | -31.3 | -177.1 | -171.6 | 167.5 | 179.9 | 153.1 | 0.8 | 113.1 | N112 | R108-N112 WeakPolarHBondContact O-CB 3.43Å; R108-N112 VanDerWaalsContact O-CG 3.23Å; R108-N112 PolarHBondContact O-N 3.01Å; R108-N112 VanDerWaalsContact O-N 3.12Å; R108-N112 PolarHBondContact O-ND2 3.44Å |
| 109 | T | 86.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.8 | -43.6 | 175.9 | 30.8 | 0 | 0 | 0 | 0 | 112.7 | N107 N112 T113 | N107-T109 PolarHBondContact O-N 3.39Å; N107-T109 VanDerWaalsContact O-N 3.11Å; N107-T109 PolarHBondContact OD1-N 3.32Å; N107-T109 PolarHBondContact OD1-OG1 3.32Å; T109-N112 PolarHBondContact O-N 2.9Å; T109-T113 WeakPolarHBondContact O-CB 3.23Å; T109-T113 PolarHBondContact O-N 3.37Å; T109-T113 PolarHBondContact O-OG1 3.36Å |
| 110 | E | 87.3 | Confident | 85.2 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.3 | -74.4 | 159.9 | -170.6 | 0 | 0 | 111 | L106 N107 N112 T113 H114 | L106-E110 HydrophobicContact CD2-CB 3.85Å; N107-E110 VanDerWaalsContact CG-CD 3.41Å; N107-E110 PolarHBondContact N-OE2 3.37Å; N107-E110 VanDerWaalsContact N-OE2 3.12Å; N107-E110 PolarHBondContact ND2-OE1 3.46Å; N107-E110 PolarHBondContact ND2-OE2 3.38Å; N107-E110 PolarHBondContact O-N 3.38Å; N107-E110 WeakPolarHBondContact OD1-CB 3.1Å; N107-E110 VanDerWaalsContact OD1-CG 3.23Å; N107-E110 WeakPolarHBondContact OD1-CG 3.36Å; N107-E110 PolarHBondContact OD1-N 3.41Å; E110-N112 PolarHBondContact O-N 3.04Å; E110-T113 WeakPolarHBondContact O-CB 3.47Å; E110-T113 PolarHBondContact O-N 3.42Å; E110-T113 VanDerWaalsContact O-N 3.16Å; E110-H114 WeakPolarHBondContact O-CB 3.34Å; E110-H114 VanDerWaalsContact O-CG 3.28Å; E110-H114 PolarHBondContact O-N 3.48Å; E110-H114 PolarHBondContact O-ND1 2.97Å |
| 111 | M | 88.7 | Confident | 86.6 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.2 | -51.5 | 173.6 | -68.4 | 176.8 | 61 | 0 | 0 | 111.1 | L106 N107 T113 H114 R115 Q194 | L106-M111 HydrophobicContact CB-CG 3.63Å; L106-M111 HydrophobicContact CD1-CG 4.44Å; N107-M111 WeakPolarHBondContact O-CG 3.46Å; N107-M111 PolarHBondContact O-N 3.47Å; M111-T113 VanDerWaalsContact C-N 3.31Å; M111-T113 PolarHBondContact O-N 3.06Å; M111-H114 PolarHBondContact O-N 2.78Å; M111-R115 VanDerWaalsContact O-CB 3.23Å; M111-R115 WeakPolarHBondContact O-CB 3.45Å; M111-R115 PolarHBondContact O-N 3.26Å; M111-Q194 VanDerWaalsContact CE-O 3.24Å; M111-Q194 WeakPolarHBondContact CE-O 3.46Å |
| 112 | N | 89.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 178.4 | -73.9 | -16.5 | 0 | 0 | 0 | 112.3 | R108 T109 E110 R115 N116 | R108-N112 WeakPolarHBondContact O-CB 3.43Å; R108-N112 VanDerWaalsContact O-CG 3.23Å; R108-N112 PolarHBondContact O-N 3.01Å; R108-N112 VanDerWaalsContact O-N 3.12Å; R108-N112 PolarHBondContact O-ND2 3.44Å; T109-N112 PolarHBondContact O-N 2.9Å; E110-N112 PolarHBondContact O-N 3.04Å; N112-R115 PolarHBondContact OD1-NH2 2.72Å; N112-N116 VanDerWaalsContact O-CB 3.3Å; N112-N116 WeakPolarHBondContact O-CB 3.33Å; N112-N116 VanDerWaalsContact O-CG 3.23Å; N112-N116 PolarHBondContact O-N 2.9Å |
| 113 | T | 92.5 | Very high | 89.2 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -49.7 | 179 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | M1 L53 T109 E110 M111 N116 A117 | M1-T113 HydrophobicContact CE-CG2 4.43Å; L53-T113 HydrophobicContact CD1-CG2 3.38Å; T109-T113 WeakPolarHBondContact O-CB 3.23Å; T109-T113 PolarHBondContact O-N 3.37Å; T109-T113 PolarHBondContact O-OG1 3.36Å; E110-T113 WeakPolarHBondContact O-CB 3.47Å; E110-T113 PolarHBondContact O-N 3.42Å; E110-T113 VanDerWaalsContact O-N 3.16Å; M111-T113 VanDerWaalsContact C-N 3.31Å; M111-T113 PolarHBondContact O-N 3.06Å; T113-N116 PolarHBondContact O-N 3.44Å; T113-A117 WeakPolarHBondContact O-CB 3.05Å; T113-A117 PolarHBondContact O-N 3.08Å |
| 114 | H | 94.4 | Very high | 90.6 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 177.6 | -63.4 | 157.2 | 0 | 0 | 0 | 112.1 | F49 L92 E110 M111 A117 L118 L195 | F49-H114 HydrophobicContact CZ-CB 4.37Å; F49-H114 AromaticContact CZ-CD2 3.42Å; F49-H114 VanDerWaalsContact CZ-CD2 3.42Å; F49-H114 WeakPolarHBondContact CZ-CD2 3.36Å; F49-H114 AromaticContact CZ-CG 3.99Å; L92-H114 HydrophobicContact CD1-CB 4.04Å; E110-H114 WeakPolarHBondContact O-CB 3.34Å; E110-H114 VanDerWaalsContact O-CG 3.28Å; E110-H114 PolarHBondContact O-N 3.48Å; E110-H114 PolarHBondContact O-ND1 2.97Å; M111-H114 PolarHBondContact O-N 2.78Å; H114-A117 PolarHBondContact O-N 3.05Å; H114-L118 VanDerWaalsContact O-CB 3.26Å; H114-L118 WeakPolarHBondContact O-CB 3.4Å; H114-L118 PolarHBondContact O-N 2.99Å; H114-L195 HydrophobicContact CB-CD2 3.89Å |
| 115 | R | 94.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 175 | -175.5 | 175.4 | 69.8 | -149 | 13.2 | 111.7 | E3 M111 N112 L118 K119 L195 W196 | E3-R115 IonicContact OE1-CZ 3.85Å; E3-R115 IonicContact OE1-NE 3.62Å; E3-R115 IonicContact OE1-NH2 3.31Å; E3-R115 PolarHBondContact OE1-NH2 3.25Å; M111-R115 VanDerWaalsContact O-CB 3.23Å; M111-R115 WeakPolarHBondContact O-CB 3.45Å; M111-R115 PolarHBondContact O-N 3.26Å; N112-R115 PolarHBondContact OD1-NH2 2.72Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-K119 HydrophobicContact CG-CD 4.34Å; R115-K119 WeakPolarHBondContact O-CG 3.24Å; R115-K119 PolarHBondContact O-N 2.87Å; R115-L195 HydrophobicContact CB-CB 4.22Å; R115-L195 WeakPolarHBondContact CD-O 3.49Å; R115-L195 PolarHBondContact NH1-O 2.82Å; R115-W196 HydrophobicContact CG-CZ2 4.29Å |
| 116 | N | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.9 | -78.6 | -11.1 | 0 | 0 | 0 | 111.3 | S2 F4 L53 N112 T113 L118 K119 M120 | S2-N116 PolarHBondContact O-ND2 3.15Å; F4-N116 HydrophobicContact CB-CB 4.27Å; F4-N116 PolarHBondContact N-OD1 2.71Å; L53-N116 HydrophobicContact CD2-CB 3.8Å; N112-N116 VanDerWaalsContact O-CB 3.3Å; N112-N116 WeakPolarHBondContact O-CB 3.33Å; N112-N116 VanDerWaalsContact O-CG 3.23Å; N112-N116 PolarHBondContact O-N 2.9Å; T113-N116 PolarHBondContact O-N 3.44Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 3.24Å; N116-K119 PolarHBondContact O-N 3.48Å; N116-M120 WeakPolarHBondContact O-CB 3.47Å; N116-M120 VanDerWaalsContact O-CG 3.29Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 2.76Å |
| 117 | A | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F49 I52 L53 T113 H114 M120 H121 | F49-A117 HydrophobicContact CD2-CB 3.83Å; F49-A117 HydrophobicContact CE2-CB 3.83Å; I52-A117 HydrophobicContact CG2-CB 3.73Å; L53-A117 HydrophobicContact CD1-CB 4.49Å; L53-A117 HydrophobicContact CD2-CB 4.1Å; L53-A117 HydrophobicContact CG-CB 4.2Å; T113-A117 WeakPolarHBondContact O-CB 3.05Å; T113-A117 PolarHBondContact O-N 3.08Å; H114-A117 PolarHBondContact O-N 3.05Å; A117-M120 PolarHBondContact O-N 3.5Å; A117-H121 WeakPolarHBondContact O-CB 3.24Å; A117-H121 PolarHBondContact O-CD2 3.11Å; A117-H121 PolarHBondContact O-N 3.28Å |
| 118 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 174.9 | 172.1 | 63.5 | 0 | 0 | 0 | 111.8 | L92 H114 R115 N116 M120 H121 T122 I187 L192 L195 W196 F205 | L92-L118 HydrophobicContact CD2-CB 4.38Å; L92-L118 HydrophobicContact CD2-CD1 4.19Å; L92-L118 HydrophobicContact CD2-CD2 4.2Å; L92-L118 HydrophobicContact CD2-CG 4.5Å; H114-L118 VanDerWaalsContact O-CB 3.26Å; H114-L118 WeakPolarHBondContact O-CB 3.4Å; H114-L118 PolarHBondContact O-N 2.99Å; R115-L118 PolarHBondContact O-N 3.37Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 3.24Å; L118-M120 PolarHBondContact O-N 3Å; L118-H121 PolarHBondContact O-N 2.85Å; L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 PolarHBondContact O-N 2.96Å; L118-T122 PolarHBondContact O-OG1 3.25Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å; L118-I187 HydrophobicContact CD1-CD1 4.17Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; L118-L192 HydrophobicContact CD2-CD1 4.14Å; L118-L192 HydrophobicContact CD2-CD2 3.92Å; L118-L195 HydrophobicContact CD2-CD1 3.79Å; L118-W196 HydrophobicContact CD2-CH2 4.02Å; L118-W196 HydrophobicContact CD2-CZ3 4.39Å; L118-F205 HydrophobicContact CD1-CE2 4.24Å; L118-F205 HydrophobicContact CD1-CZ 4.06Å; L118-F205 HydrophobicContact CD2-CE2 4.16Å; L118-F205 HydrophobicContact CD2-CZ 3.84Å; L118-F205 HydrophobicContact CG-CE2 3.8Å; L118-F205 HydrophobicContact CG-CZ 3.85Å |
| 119 | K | 96.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 179.3 | -69.2 | 178.5 | -177.6 | -167.4 | 0 | 111.9 | F4 I6 R115 N116 T122 Y123 E202 F205 | F4-K119 HydrophobicContact CD1-CB 3.61Å; F4-K119 HydrophobicContact CD1-CD 4.41Å; F4-K119 HydrophobicContact CE1-CB 4.13Å; F4-K119 WeakPolarHBondContact O-CD 3.17Å; F4-K119 PolarHBondContact O-NZ 2.82Å; I6-K119 HydrophobicContact CD1-CD 4.46Å; I6-K119 HydrophobicContact CD1-CG 4.36Å; I6-K119 HydrophobicContact CG1-CB 4.45Å; I6-K119 HydrophobicContact CG1-CD 4.4Å; R115-K119 HydrophobicContact CG-CD 4.34Å; R115-K119 WeakPolarHBondContact O-CG 3.24Å; R115-K119 PolarHBondContact O-N 2.87Å; N116-K119 PolarHBondContact O-N 3.48Å; K119-T122 PolarHBondContact O-N 3.4Å; K119-Y123 WeakPolarHBondContact O-CB 3.02Å; K119-Y123 PolarHBondContact O-N 2.87Å; K119-E202 WeakPolarHBondContact CE-OE1 3.34Å; K119-E202 WeakPolarHBondContact CE-OE2 3.45Å; K119-E202 IonicContact NZ-OE1 3.53Å; K119-E202 PolarHBondContact NZ-OE1 3.25Å; K119-E202 IonicContact NZ-OE2 3.78Å; K119-E202 PolarHBondContact NZ-OE2 2.97Å; K119-F205 HydrophobicContact CG-CD2 4.08Å |
| 120 | M | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 176.7 | -78.7 | 177.8 | 170.4 | 0 | 0 | 111.7 | F4 Y22 I52 L53 F56 N116 A117 L118 L124 | F4-M120 HydrophobicContact CB-CE 4.09Å; F4-M120 HydrophobicContact CB-CG 4.22Å; F4-M120 HydrophobicContact CD1-CG 3.98Å; F4-M120 HydrophobicContact CD2-CE 3.48Å; F4-M120 VanDerWaalsContact CD2-CE 3.48Å; F4-M120 HydrophobicContact CD2-CG 3.5Å; F4-M120 HydrophobicContact CD2-SD 4.35Å; F4-M120 HydrophobicContact CE1-CG 4.18Å; F4-M120 HydrophobicContact CE2-CE 4.23Å; F4-M120 HydrophobicContact CE2-CG 3.74Å; F4-M120 HydrophobicContact CG-CE 4.04Å; F4-M120 HydrophobicContact CG-CG 3.62Å; F4-M120 HydrophobicContact CZ-CG 4.06Å; Y22-M120 HydrophobicContact CD1-CE 4.03Å; Y22-M120 HydrophobicContact CD2-CE 3.45Å; Y22-M120 VanDerWaalsContact CD2-CE 3.45Å; Y22-M120 HydrophobicContact CE1-CE 4.1Å; Y22-M120 HydrophobicContact CE2-CE 3.49Å; Y22-M120 VanDerWaalsContact CE2-CE 3.49Å; Y22-M120 HydrophobicContact CG-CE 3.73Å; I52-M120 HydrophobicContact CG1-CB 3.89Å; I52-M120 HydrophobicContact CG2-CB 4.18Å; I52-M120 HydrophobicContact CG2-SD 4.3Å; L53-M120 HydrophobicContact CD2-SD 3.97Å; F56-M120 HydrophobicContact CB-CE 4.41Å; F56-M120 HydrophobicContact CB-SD 4.13Å; F56-M120 HydrophobicContact CD2-CB 3.66Å; F56-M120 HydrophobicContact CD2-CG 3.63Å; F56-M120 HydrophobicContact CD2-SD 4.06Å; F56-M120 HydrophobicContact CE2-CB 3.91Å; F56-M120 HydrophobicContact CE2-CG 3.9Å; F56-M120 HydrophobicContact CG-CE 4.42Å; F56-M120 HydrophobicContact CG-CG 4.31Å; F56-M120 HydrophobicContact CG-SD 4.25Å; N116-M120 WeakPolarHBondContact O-CB 3.47Å; N116-M120 VanDerWaalsContact O-CG 3.29Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 2.76Å; A117-M120 PolarHBondContact O-N 3.5Å; L118-M120 PolarHBondContact O-N 3Å; M120-L124 WeakPolarHBondContact O-CG 3.4Å; M120-L124 PolarHBondContact O-N 3.45Å |
| 121 | H | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 176.4 | -86.7 | -48.7 | 0 | 0 | 0 | 112.3 | F49 Y51 I52 Y85 A117 L118 L124 L125 | F49-H121 PolarHBondContact O-NE2 3.36Å; Y51-H121 AromaticContact CE1-CE1 3.44Å; Y51-H121 VanDerWaalsContact CE1-CE1 3.44Å; Y51-H121 WeakPolarHBondContact CE1-CE1 3.47Å; Y51-H121 AromaticContact CE1-NE2 3.91Å; Y51-H121 AromaticContact CZ-CE1 4Å; I52-H121 WeakPolarHBondContact CB-NE2 3.48Å; I52-H121 WeakPolarHBondContact CG2-NE2 3.29Å; Y85-H121 HydrophobicContact CD2-CB 3.7Å; Y85-H121 HydrophobicContact CE2-CB 3.87Å; A117-H121 WeakPolarHBondContact O-CB 3.24Å; A117-H121 PolarHBondContact O-CD2 3.11Å; A117-H121 PolarHBondContact O-N 3.28Å; L118-H121 PolarHBondContact O-N 2.85Å; H121-L124 PolarHBondContact O-N 3.06Å; H121-L125 WeakPolarHBondContact O-CB 3.27Å; H121-L125 PolarHBondContact O-N 3.36Å |
| 122 | T | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | Y85 L118 K119 L125 C126 L184 F205 L208 | Y85-T122 VanDerWaalsContact CE2-CA 3.5Å; Y85-T122 WeakPolarHBondContact CE2-OG1 3.45Å; Y85-T122 PolarHBondContact OH-OG1 3.42Å; L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 PolarHBondContact O-N 2.96Å; L118-T122 PolarHBondContact O-OG1 3.25Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å; K119-T122 PolarHBondContact O-N 3.4Å; T122-L125 PolarHBondContact O-N 3.24Å; T122-C126 WeakPolarHBondContact O-CB 3.34Å; T122-C126 PolarHBondContact O-N 3.14Å; T122-C126 PolarHBondContact O-SG 2.99Å; T122-C126 VanDerWaalsContact O-SG 3.36Å; T122-L184 HydrophobicContact CG2-CD2 4.2Å; T122-F205 HydrophobicContact CG2-CE2 4.01Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.14Å; T122-L208 HydrophobicContact CG2-CB 3.96Å; T122-L208 HydrophobicContact CG2-CD1 4.04Å |
| 123 | Y | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.8 | -52 | 175 | 177.2 | -100.7 | 0 | 0 | 0 | 111.2 | F4 P7 L13 F56 F60 K119 Q127 L208 | F4-Y123 HydrophobicContact CZ-CD1 4.21Å; F4-Y123 HydrophobicContact CZ-CG 4.25Å; P7-Y123 HydrophobicContact CG-CD2 4.13Å; P7-Y123 HydrophobicContact CG-CE1 4.38Å; P7-Y123 HydrophobicContact CG-CE2 3.38Å; L13-Y123 HydrophobicContact CD1-CD1 4.4Å; L13-Y123 HydrophobicContact CD1-CE1 3.63Å; F56-Y123 HydrophobicContact CE2-CD1 4.12Å; F56-Y123 AromaticContact CZ-CD1 3.86Å; F56-Y123 HydrophobicContact CZ-CD1 3.86Å; F56-Y123 HydrophobicContact CZ-CE1 4.14Å; F60-Y123 HydrophobicContact CD2-CE1 4.43Å; K119-Y123 WeakPolarHBondContact O-CB 3.02Å; K119-Y123 PolarHBondContact O-N 2.87Å; Y123-Q127 HydrophobicContact CD1-CG 4.29Å; Y123-Q127 HydrophobicContact CD2-CG 4.04Å; Y123-Q127 HydrophobicContact CE1-CG 3.96Å; Y123-Q127 HydrophobicContact CE2-CG 3.66Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 WeakPolarHBondContact O-CB 3.44Å; Y123-Q127 WeakPolarHBondContact O-CG 3.46Å; Y123-Q127 PolarHBondContact O-N 3.1Å; Y123-L208 HydrophobicContact CD2-CD2 4.1Å |
| 124 | L | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | -179.9 | -70.8 | 173.9 | 0 | 0 | 0 | 111.7 | I52 F56 L59 L63 V81 M120 H121 C126 Q127 F128 | I52-L124 HydrophobicContact CD1-CD1 3.65Å; I52-L124 HydrophobicContact CG1-CD1 4.37Å; F56-L124 HydrophobicContact CD2-CD1 3.74Å; F56-L124 HydrophobicContact CD2-CD2 4.45Å; F56-L124 HydrophobicContact CD2-CG 4.08Å; F56-L124 HydrophobicContact CE2-CD1 3.89Å; F56-L124 HydrophobicContact CE2-CD2 3.93Å; F56-L124 HydrophobicContact CE2-CG 3.68Å; F56-L124 HydrophobicContact CZ-CD2 4.27Å; F56-L124 HydrophobicContact CZ-CG 4.47Å; L59-L124 HydrophobicContact CB-CD1 3.84Å; L59-L124 HydrophobicContact CB-CD2 4.36Å; L59-L124 HydrophobicContact CD1-CD1 3.93Å; L63-L124 HydrophobicContact CD1-CD2 3.57Å; V81-L124 HydrophobicContact CG1-CB 4.1Å; V81-L124 HydrophobicContact CG2-CB 4.38Å; M120-L124 WeakPolarHBondContact O-CG 3.4Å; M120-L124 PolarHBondContact O-N 3.45Å; H121-L124 PolarHBondContact O-N 3.06Å; L124-C126 PolarHBondContact O-N 3.46Å; L124-Q127 PolarHBondContact O-N 2.83Å; L124-F128 HydrophobicContact CD2-CE2 4.46Å; L124-F128 WeakPolarHBondContact O-CB 3.29Å; L124-F128 VanDerWaalsContact O-CD2 3.28Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; L124-F128 PolarHBondContact O-N 3.31Å |
| 125 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | -178.5 | -174.8 | 65.1 | 0 | 0 | 0 | 111.6 | W78 V81 L82 Y85 H121 T122 Q127 F128 V129 A180 L184 | W78-L125 HydrophobicContact CH2-CD1 3.92Å; W78-L125 HydrophobicContact CZ3-CD1 3.85Å; V81-L125 HydrophobicContact CG1-CB 4.05Å; V81-L125 HydrophobicContact CG1-CD1 4.01Å; L82-L125 HydrophobicContact CB-CD1 4.47Å; L82-L125 HydrophobicContact CD1-CD1 4.12Å; Y85-L125 HydrophobicContact CD1-CD2 3.68Å; Y85-L125 HydrophobicContact CD2-CB 4.02Å; Y85-L125 HydrophobicContact CD2-CD2 3.79Å; Y85-L125 HydrophobicContact CE1-CD2 4Å; Y85-L125 HydrophobicContact CE2-CB 4.41Å; Y85-L125 HydrophobicContact CE2-CD2 4.18Å; Y85-L125 HydrophobicContact CG-CD2 3.54Å; H121-L125 WeakPolarHBondContact O-CB 3.27Å; H121-L125 PolarHBondContact O-N 3.36Å; T122-L125 PolarHBondContact O-N 3.24Å; L125-Q127 PolarHBondContact O-N 2.84Å; L125-F128 PolarHBondContact O-N 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.39Å; L125-V129 PolarHBondContact O-N 3.19Å; L125-A180 HydrophobicContact CD1-CB 4.05Å; L125-A180 HydrophobicContact CD2-CB 4.48Å; L125-A180 HydrophobicContact CG-CB 4.46Å; L125-L184 HydrophobicContact CD2-CD2 3.85Å; L125-L184 HydrophobicContact CD2-CG 3.89Å |
| 126 | C | 98.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 5% | 0.054 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.5 | -67 | 0 | 0 | 0 | 0 | 112.6 | T122 L124 V129 D130 C212 | T122-C126 WeakPolarHBondContact O-CB 3.34Å; T122-C126 PolarHBondContact O-N 3.14Å; T122-C126 PolarHBondContact O-SG 2.99Å; T122-C126 VanDerWaalsContact O-SG 3.36Å; L124-C126 PolarHBondContact O-N 3.46Å; C126-V129 PolarHBondContact O-N 3.39Å; C126-D130 PolarHBondContact O-N 3.11Å; C126-C212 HydrophobicContact CB-CB 4.31Å |
| 127 | Q | 96.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 16.4 Ų | 16.4 | 20% | 0.201 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 177.7 | -69.9 | -67.4 | -49.1 | 0 | 0 | 112 | 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 4.29Å; Y123-Q127 HydrophobicContact CD2-CG 4.04Å; Y123-Q127 HydrophobicContact CE1-CG 3.96Å; Y123-Q127 HydrophobicContact CE2-CG 3.66Å; Y123-Q127 HydrophobicContact CG-CG 4.33Å; Y123-Q127 WeakPolarHBondContact O-CB 3.44Å; Y123-Q127 WeakPolarHBondContact O-CG 3.46Å; Y123-Q127 PolarHBondContact O-N 3.1Å; L124-Q127 PolarHBondContact O-N 2.83Å; L125-Q127 PolarHBondContact O-N 2.84Å; Q127-D130 PolarHBondContact O-N 3.32Å; Q127-M131 WeakPolarHBondContact O-CB 3.49Å; Q127-M131 VanDerWaalsContact O-CG 3.23Å; Q127-M131 WeakPolarHBondContact O-CG 3.37Å; Q127-M131 PolarHBondContact O-N 2.87Å |
| 128 | F | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.4 | -92.3 | -94.7 | 0 | 0 | 0 | 111.4 | V62 L63 W66 A77 W78 V81 L124 L125 M131 F132 | V62-F128 HydrophobicContact CB-CZ 4.13Å; V62-F128 HydrophobicContact CG1-CE1 4.16Å; V62-F128 HydrophobicContact CG1-CZ 4.03Å; L63-F128 HydrophobicContact CD1-CD2 3.91Å; L63-F128 HydrophobicContact CD1-CE2 3.81Å; L63-F128 HydrophobicContact CD2-CD1 4.33Å; L63-F128 HydrophobicContact CD2-CD2 3.56Å; L63-F128 HydrophobicContact CD2-CE1 4.43Å; L63-F128 HydrophobicContact CD2-CE2 3.67Å; L63-F128 HydrophobicContact CD2-CG 3.92Å; L63-F128 HydrophobicContact CD2-CZ 4.12Å; L63-F128 HydrophobicContact CG-CD2 3.81Å; L63-F128 HydrophobicContact CG-CE2 3.47Å; L63-F128 VanDerWaalsContact CG-CE2 3.47Å; L63-F128 HydrophobicContact CG-CZ 4.04Å; W66-F128 HydrophobicContact CH2-CD1 4.22Å; W66-F128 AromaticContact CZ3-CD1 3.86Å; W66-F128 HydrophobicContact CZ3-CD1 3.86Å; W66-F128 AromaticContact CZ3-CE1 3.82Å; W66-F128 HydrophobicContact CZ3-CE1 3.82Å; A77-F128 HydrophobicContact CB-CE1 3.73Å; A77-F128 HydrophobicContact CB-CZ 3.75Å; W78-F128 HydrophobicContact CE3-CB 3.78Å; W78-F128 HydrophobicContact CE3-CD1 4.43Å; W78-F128 HydrophobicContact CE3-CG 4.43Å; W78-F128 HydrophobicContact CZ3-CB 3.88Å; V81-F128 HydrophobicContact CG1-CD2 4.4Å; V81-F128 HydrophobicContact CG2-CD2 3.92Å; V81-F128 HydrophobicContact CG2-CE2 3.73Å; V81-F128 HydrophobicContact CG2-CZ 4.19Å; L124-F128 HydrophobicContact CD2-CE2 4.46Å; L124-F128 WeakPolarHBondContact O-CB 3.29Å; L124-F128 VanDerWaalsContact O-CD2 3.28Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; L124-F128 PolarHBondContact O-N 3.31Å; L125-F128 PolarHBondContact O-N 3.3Å; F128-M131 PolarHBondContact O-N 3.45Å; F128-F132 HydrophobicContact CD1-CE2 4.01Å; F128-F132 VanDerWaalsContact O-CD2 3.24Å; F128-F132 WeakPolarHBondContact O-CD2 3.38Å; F128-F132 PolarHBondContact O-N 2.81Å |
| 129 | V | 97.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.3 | -51.9 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | W78 L125 C126 M131 F132 E133 W173 A180 L216 | W78-V129 HydrophobicContact CH2-CG2 3.7Å; W78-V129 HydrophobicContact CZ3-CG2 3.85Å; L125-V129 WeakPolarHBondContact O-CG2 3.39Å; L125-V129 PolarHBondContact O-N 3.19Å; C126-V129 PolarHBondContact O-N 3.39Å; V129-M131 VanDerWaalsContact C-N 3.34Å; V129-M131 PolarHBondContact O-N 3.46Å; V129-F132 PolarHBondContact O-N 3.45Å; V129-E133 HydrophobicContact CG1-CG 4.26Å; V129-E133 WeakPolarHBondContact O-CB 3.48Å; V129-E133 VanDerWaalsContact O-CG 3.29Å; V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 2.95Å; V129-W173 HydrophobicContact CG1-CZ2 4.31Å; V129-W173 HydrophobicContact CG2-CH2 4.38Å; V129-A180 HydrophobicContact CG2-CB 4.11Å; V129-L216 HydrophobicContact CG1-CD1 4.32Å; V129-L216 HydrophobicContact CG1-CD2 3.87Å; V129-L216 HydrophobicContact CG1-CG 4.3Å |
| 130 | D | 94.6 | Very high | 92 | Very high | 41 Ų | 41 | 24 Ų | 24 | 22% | 0.219 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 178.8 | -178.5 | 44.4 | 0 | 0 | 0 | 112.5 | C126 Q127 N134 | C126-D130 PolarHBondContact O-N 3.11Å; Q127-D130 PolarHBondContact O-N 3.32Å; D130-N134 VanDerWaalsContact CG-ND2 3.3Å; D130-N134 WeakPolarHBondContact O-CB 3.45Å; D130-N134 PolarHBondContact O-N 3.36Å; D130-N134 PolarHBondContact O-ND2 3.25Å; D130-N134 PolarHBondContact OD1-ND2 3.23Å |
| 131 | M | 93.5 | Very high | 90.6 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 17% | 0.167 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 179.4 | -68 | -60.2 | 94.4 | 0 | 0 | 113 | L63 W66 Q127 F128 V129 E135 | L63-M131 HydrophobicContact CD2-CB 4.46Å; L63-M131 HydrophobicContact CD2-CG 3.76Å; W66-M131 HydrophobicContact CD2-CB 3.77Å; W66-M131 HydrophobicContact CD2-CG 4.15Å; W66-M131 HydrophobicContact CE3-CB 3.97Å; W66-M131 HydrophobicContact CE3-CG 4.24Å; W66-M131 HydrophobicContact CG-CB 4.47Å; W66-M131 HydrophobicContact CH2-CB 3.71Å; W66-M131 HydrophobicContact CZ2-CB 3.53Å; W66-M131 HydrophobicContact CZ3-CB 3.93Å; Q127-M131 WeakPolarHBondContact O-CB 3.49Å; Q127-M131 VanDerWaalsContact O-CG 3.23Å; Q127-M131 WeakPolarHBondContact O-CG 3.37Å; Q127-M131 PolarHBondContact O-N 2.87Å; F128-M131 PolarHBondContact O-N 3.45Å; V129-M131 VanDerWaalsContact C-N 3.34Å; V129-M131 PolarHBondContact O-N 3.46Å; M131-E135 WeakPolarHBondContact O-CB 3.49Å; M131-E135 PolarHBondContact O-N 3.26Å; M131-E135 VanDerWaalsContact O-N 3.08Å |
| 132 | F | 93.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.7 | -84 | -69.4 | 0 | 0 | 0 | 112 | W66 K74 W78 F128 V129 N134 E135 L136 L169 W173 | W66-F132 HydrophobicContact CH2-CD1 4.27Å; W66-F132 AromaticContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CD2 3.86Å; W66-F132 HydrophobicContact CH2-CE1 4.17Å; 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 3.9Å; W66-F132 HydrophobicContact CH2-CZ 3.9Å; W66-F132 HydrophobicContact CZ2-CD1 4.18Å; W66-F132 HydrophobicContact CZ2-CD2 4.41Å; W66-F132 HydrophobicContact CZ2-CE1 4.34Å; W66-F132 HydrophobicContact CZ2-CG 4.21Å; K74-F132 HydrophobicContact CB-CE1 4.23Å; K74-F132 HydrophobicContact CB-CZ 3.92Å; W78-F132 HydrophobicContact CB-CE2 3.81Å; W78-F132 HydrophobicContact CB-CZ 4.12Å; W78-F132 HydrophobicContact CD2-CE2 4.24Å; W78-F132 HydrophobicContact CE3-CD2 4.28Å; W78-F132 HydrophobicContact CE3-CE2 4.09Å; W78-F132 HydrophobicContact CG-CE2 4.14Å; F128-F132 HydrophobicContact CD1-CE2 4.01Å; F128-F132 VanDerWaalsContact O-CD2 3.24Å; F128-F132 WeakPolarHBondContact O-CD2 3.38Å; F128-F132 PolarHBondContact O-N 2.81Å; V129-F132 PolarHBondContact O-N 3.45Å; F132-N134 PolarHBondContact O-N 2.94Å; F132-E135 PolarHBondContact O-N 3.36Å; F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 WeakPolarHBondContact O-CG 3.26Å; F132-L136 PolarHBondContact O-N 3.31Å; F132-L169 HydrophobicContact CD1-CD1 4.07Å; F132-L169 HydrophobicContact CD1-CD2 4.08Å; F132-L169 HydrophobicContact CE1-CD1 4.41Å; F132-L169 HydrophobicContact CE1-CD2 3.7Å; F132-W173 HydrophobicContact CB-CD2 4.28Å; F132-W173 HydrophobicContact CB-CE3 4.09Å; F132-W173 HydrophobicContact CB-CH2 3.42Å; F132-W173 VanDerWaalsContact CB-CH2 3.42Å; F132-W173 HydrophobicContact CB-CZ2 3.59Å; F132-W173 HydrophobicContact CB-CZ3 3.67Å; F132-W173 HydrophobicContact CD1-CZ3 4.4Å; F132-W173 HydrophobicContact CD2-CE3 4.43Å; F132-W173 AromaticContact CD2-CH2 3.78Å; F132-W173 HydrophobicContact CD2-CH2 3.78Å; F132-W173 AromaticContact CD2-CZ3 3.57Å; F132-W173 HydrophobicContact CD2-CZ3 3.57Å; F132-W173 HydrophobicContact CE2-CZ3 4.31Å; F132-W173 HydrophobicContact CG-CE3 4.12Å; F132-W173 AromaticContact CG-CH2 3.84Å; F132-W173 HydrophobicContact CG-CH2 3.84Å; F132-W173 HydrophobicContact CG-CZ2 4.46Å; F132-W173 AromaticContact CG-CZ3 3.64Å; F132-W173 HydrophobicContact CG-CZ3 3.64Å |
| 133 | E | 90.6 | Very high | 86.9 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.8 | -75.1 | -63.9 | 163 | 0 | 0 | 112.2 | V129 E135 L136 N137 W173 L216 I222 | V129-E133 HydrophobicContact CG1-CG 4.26Å; V129-E133 WeakPolarHBondContact O-CB 3.48Å; V129-E133 VanDerWaalsContact O-CG 3.29Å; V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 2.93Å; E133-L136 PolarHBondContact O-N 3.05Å; E133-N137 VanDerWaalsContact O-CB 3.25Å; E133-N137 WeakPolarHBondContact O-CB 3.47Å; E133-N137 PolarHBondContact O-N 2.85Å; E133-N137 PolarHBondContact O-ND2 3.32Å; E133-N137 VanDerWaalsContact O-ND2 3.1Å; E133-W173 HydrophobicContact CG-CZ2 4.13Å; E133-W173 PolarHBondContact OE1-NE1 3.18Å; E133-L216 HydrophobicContact CG-CD2 3.65Å; E133-L216 VanDerWaalsContact OE1-CD2 3.28Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.45Å; E133-I222 WeakPolarHBondContact OE1-CD1 3.36Å |
| 134 | N | 90.1 | Very high | 84.6 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 178.3 | -71.9 | -41.5 | 0 | 0 | 0 | 112 | D130 F132 A138 | D130-N134 VanDerWaalsContact CG-ND2 3.3Å; D130-N134 WeakPolarHBondContact O-CB 3.45Å; D130-N134 PolarHBondContact O-N 3.36Å; D130-N134 PolarHBondContact O-ND2 3.25Å; D130-N134 PolarHBondContact OD1-ND2 3.23Å; F132-N134 PolarHBondContact O-N 2.94Å; N134-A138 VanDerWaalsContact O-CB 3.28Å; N134-A138 WeakPolarHBondContact O-CB 3.47Å; N134-A138 PolarHBondContact O-N 2.96Å |
| 135 | E | 88.7 | Confident | 82.1 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 176.5 | -176.7 | 166.6 | -176.2 | 0 | 0 | 112 | W66 K74 M131 F132 E133 A138 N139 | W66-E135 VanDerWaalsContact CE2-OE2 3.27Å; W66-E135 WeakPolarHBondContact CZ2-OE2 3.27Å; W66-E135 PolarHBondContact NE1-OE2 3.45Å; K74-E135 IonicContact NZ-OE1 2.99Å; K74-E135 PolarHBondContact NZ-OE1 2.82Å; K74-E135 IonicContact NZ-OE2 3.81Å; K74-E135 PolarHBondContact NZ-OE2 2.91Å; M131-E135 WeakPolarHBondContact O-CB 3.49Å; M131-E135 PolarHBondContact O-N 3.26Å; M131-E135 VanDerWaalsContact O-N 3.08Å; F132-E135 PolarHBondContact O-N 3.36Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 2.93Å; E135-A138 PolarHBondContact O-N 3.29Å; E135-N139 WeakPolarHBondContact O-CB 3.45Å; E135-N139 PolarHBondContact O-N 2.88Å; E135-N139 PolarHBondContact O-ND2 2.85Å |
| 136 | L | 86 | Confident | 79.3 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.9 | -72 | 173.4 | 0 | 0 | 0 | 111.6 | F132 E133 N139 A140 L169 W173 | F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 WeakPolarHBondContact O-CG 3.26Å; F132-L136 PolarHBondContact O-N 3.31Å; E133-L136 PolarHBondContact O-N 3.05Å; L136-N139 PolarHBondContact O-N 3.06Å; L136-A140 WeakPolarHBondContact O-CB 3.05Å; L136-A140 PolarHBondContact O-N 2.98Å; L136-L169 HydrophobicContact CD1-CD1 4.03Å; L136-L169 HydrophobicContact CD2-CD1 3.84Å; L136-L169 HydrophobicContact CD2-CG 4.45Å; L136-L169 HydrophobicContact CG-CD1 4.21Å; L136-W173 HydrophobicContact CD1-CB 4.01Å; L136-W173 HydrophobicContact CD1-CD2 4.09Å; L136-W173 HydrophobicContact CD1-CG 3.48Å; L136-W173 VanDerWaalsContact CD1-CG 3.48Å |
| 137 | N | 84 | Confident | 76.3 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.1 | -89.9 | -63.7 | 0 | 0 | 0 | 113 | E133 K141 D219 | E133-N137 VanDerWaalsContact O-CB 3.25Å; E133-N137 WeakPolarHBondContact O-CB 3.47Å; E133-N137 PolarHBondContact O-N 2.85Å; E133-N137 PolarHBondContact O-ND2 3.32Å; E133-N137 VanDerWaalsContact O-ND2 3.1Å; N137-K141 WeakPolarHBondContact O-CB 3.27Å; N137-K141 WeakPolarHBondContact O-CG 3.43Å; N137-K141 PolarHBondContact O-N 3.06Å; N137-D219 PolarHBondContact ND2-OD2 3.13Å; N137-D219 PolarHBondContact OD1-OD2 3.37Å; N137-D219 VanDerWaalsContact OD1-OD2 3.07Å |
| 138 | A | 83.3 | Confident | 73.3 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N134 E135 S142 | N134-A138 VanDerWaalsContact O-CB 3.28Å; N134-A138 WeakPolarHBondContact O-CB 3.47Å; N134-A138 PolarHBondContact O-N 2.96Å; E135-A138 PolarHBondContact O-N 3.29Å; A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.1Å; A138-S142 PolarHBondContact O-OG 3.42Å |
| 139 | N | 76.7 | Confident | 70.1 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 176.9 | -70.7 | -15.3 | 0 | 0 | 0 | 111.6 | E135 L136 S142 A143 | E135-N139 WeakPolarHBondContact O-CB 3.45Å; E135-N139 PolarHBondContact O-N 2.88Å; E135-N139 PolarHBondContact O-ND2 2.85Å; L136-N139 PolarHBondContact O-N 3.06Å; N139-S142 PolarHBondContact O-N 2.76Å; N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.08Å |
| 140 | A | 72.5 | Confident | 66.8 | Low | 53 Ų | 53 | 71 Ų | 71 | 44% | 0.438 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L136 S142 A143 V144 | L136-A140 WeakPolarHBondContact O-CB 3.05Å; L136-A140 PolarHBondContact O-N 2.98Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.37Å; A140-A143 PolarHBondContact O-N 3.36Å; A140-V144 WeakPolarHBondContact O-CG2 3.25Å; A140-V144 PolarHBondContact O-N 2.92Å; A140-V144 VanDerWaalsContact O-N 3.1Å |
| 141 | K | 68.1 | Low | 63.6 | Low | 159 Ų | 159 | 72.7 Ų | 72.7 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 175.7 | -73.4 | 175.7 | -176.3 | 175.7 | 0 | 112.3 | N137 V144 G145 | N137-K141 WeakPolarHBondContact O-CB 3.27Å; N137-K141 WeakPolarHBondContact O-CG 3.43Å; N137-K141 PolarHBondContact O-N 3.06Å; K141-V144 PolarHBondContact O-N 3.36Å; K141-G145 PolarHBondContact O-N 3.42Å |
| 142 | S | 63.2 | Low | 60.4 | Low | 85 Ų | 85 | 83.5 Ų | 83.5 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | A138 N139 A140 G146 | A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.1Å; A138-S142 PolarHBondContact O-OG 3.42Å; N139-S142 PolarHBondContact O-N 2.76Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.37Å; S142-G146 PolarHBondContact O-N 3.49Å |
| 143 | A | 55.4 | Low | 57.1 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N139 A140 | N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.08Å; A140-A143 PolarHBondContact O-N 3.36Å |
| 144 | V | 51.1 | Low | 54.1 | Low | 114 Ų | 114 | 91 Ų | 91 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.9 | -40 | 176 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | A140 K141 G146 N147 | A140-V144 WeakPolarHBondContact O-CG2 3.25Å; A140-V144 PolarHBondContact O-N 2.92Å; A140-V144 VanDerWaalsContact O-N 3.1Å; K141-V144 PolarHBondContact O-N 3.36Å; V144-G146 PolarHBondContact O-N 3.5Å; V144-N147 PolarHBondContact O-N 2.85Å |
| 145 | G | 45.1 | Very low | 51 | Low | 55 Ų | 55 | 98 Ų | 98 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.9 | -24.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K141 N147 | K141-G145 PolarHBondContact O-N 3.42Å; G145-N147 VanDerWaalsContact C-N 3.25Å; G145-N147 PolarHBondContact O-N 3.3Å |
| 146 | G | 39 | Very low | 47.9 | Very low | 62 Ų | 62 | 100.7 Ų | 100.7 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -12.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | S142 V144 | S142-G146 PolarHBondContact O-N 3.49Å; V144-G146 PolarHBondContact O-N 3.5Å |
| 147 | N | 35.8 | Very low | 45 | Very low | 98 Ų | 98 | 101.3 Ų | 101.3 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.2 | 7.5 | -176.2 | -83 | -11.6 | 0 | 0 | 0 | 115 | V144 G145 G149 | V144-N147 PolarHBondContact O-N 2.85Å; G145-N147 VanDerWaalsContact C-N 3.25Å; G145-N147 PolarHBondContact O-N 3.3Å; N147-G149 PolarHBondContact O-N 3.08Å; N147-G149 VanDerWaalsContact O-N 3.11Å |
| 148 | A | 32.9 | Very low | 42.1 | Very low | 93 Ų | 93 | 111.2 Ų | 111.2 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -75.9 | 7.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | G | 30.6 | Very low | 39.4 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -111.4 | 52.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | N147 | N147-G149 PolarHBondContact O-N 3.08Å; N147-G149 VanDerWaalsContact O-N 3.11Å |
| 150 | R | 29.1 | Very low | 36.9 | Very low | 238 Ų | 238 | 119.5 Ų | 119.5 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -169 | 121 | 157.6 | -107.3 | 156 | -178.8 | -173.1 | -0.3 | 111.2 | ||
| 151 | G | 27.1 | Very low | 34.8 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | -60.6 | 160.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G153 | G151-G153 PolarHBondContact O-N 2.91Š| ||
| 152 | R | 25 | Very low | 32.7 | Very low | 262 Ų | 262 | 127.7 Ų | 127.7 | 99% | 0.989 | 76% | 0.759 | S | S | * | * | trans | -41.6 | 112.4 | 170.7 | -71.9 | 169.8 | 160 | 173.8 | -6.1 | 111.5 | ||||
| 153 | G | 25.6 | Very low | 31 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -169.2 | 109.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | G151 | G151-G153 PolarHBondContact O-N 2.91Š| ||
| 154 | A | 26.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 59.9 | 107.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 155 | K | 25.2 | Very low | 29 | Very low | 209 Ų | 209 | 127.8 Ų | 127.8 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | S | Bend | 38.4 | 115.3 | 125 | -66.8 | -179 | 176.1 | 175.8 | 0 | 118.4 | |||
| 156 | G | 24.4 | Very low | 28.6 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | 74.8 | 47.5 | 128.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 157 | G | 24.3 | Very low | 29.1 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -108.3 | 114.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R159 | G157-R159 PolarHBondContact O-N 3.31Å; G157-R159 VanDerWaalsContact O-N 3.08Å | ||
| 158 | R | 24 | Very low | 30.1 | Very low | 257 Ų | 257 | 137.5 Ų | 137.5 | 97% | 0.97 | 78% | 0.784 | S | S | * | * | trans | -41.7 | 110.9 | 171.7 | -68.7 | 172.3 | 176.2 | 177.1 | -2.4 | 110.8 | G160 | R158-G160 VanDerWaalsContact C-N 3.34Å; R158-G160 PolarHBondContact O-N 2.94Å | ||
| 159 | R | 26 | Very low | 31.8 | Very low | 224 Ų | 224 | 134.4 Ų | 134.4 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -73.7 | 93.5 | 170.1 | -79.7 | -174.7 | 172.1 | -178.9 | -0.5 | 108.3 | G157 D161 | G157-R159 PolarHBondContact O-N 3.31Å; G157-R159 VanDerWaalsContact O-N 3.08Å; R159-D161 PolarHBondContact O-N 2.81Å | ||
| 160 | G | 24.6 | Very low | 34 | Very low | 59 Ų | 59 | 136.6 Ų | 136.6 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -63.1 | 124.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R158 R162 | R158-G160 VanDerWaalsContact C-N 3.34Å; R158-G160 PolarHBondContact O-N 2.94Å; G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 2.9Å | ||
| 161 | D | 26.8 | Very low | 36.6 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | 35.4 | 51.8 | 132.9 | -149 | 23.4 | 0 | 0 | 0 | 117 | R159 G163 | R159-D161 PolarHBondContact O-N 2.81Å; D161-G163 PolarHBondContact O-N 2.95Å | ||
| 162 | R | 25 | Very low | 39.5 | Very low | 218 Ų | 218 | 127.2 Ų | 127.2 | 82% | 0.823 | 71% | 0.707 | S | S | * | * | trans | -82.2 | 111.1 | 157.1 | -72.2 | -172.2 | -179.2 | 179.3 | 0.2 | 106 | G160 | G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 2.9Å | ||
| 163 | G | 26.4 | Very low | 42.7 | Very low | 50 Ų | 50 | 115.4 Ų | 115.4 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | trans | -48.1 | 153.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D161 S165 | D161-G163 PolarHBondContact O-N 2.95Å; G163-S165 PolarHBondContact O-N 3.47Å | ||
| 164 | P | 31.2 | Very low | 45.8 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | trans | -58.4 | 111.9 | 179.9 | 25.5 | -31.6 | 0 | 0 | 0 | 107.6 | D166 | P164-D166 PolarHBondContact O-N 3.1Š| ||
| 165 | S | 34.9 | Very low | 49.1 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | trans | -65.4 | 88.8 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 108.1 | G163 L167 | G163-S165 PolarHBondContact O-N 3.47Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.46Å | ||
| 166 | D | 36.3 | Very low | 52.4 | Low | 159 Ų | 159 | 104.7 Ų | 104.7 | 85% | 0.85 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 35 | -1.1 | 149.7 | -86.8 | -18.5 | 0 | 0 | 0 | 123.7 | P164 | P164-D166 PolarHBondContact O-N 3.1Š|
| 167 | L | 49.1 | Very low | 55.8 | Low | 82 Ų | 82 | 100.5 Ų | 100.5 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | trans | -144.8 | 45.5 | -179.6 | -114.6 | 92.7 | 0 | 0 | 0 | 112.7 | S165 L169 | S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.46Å; L167-L169 PolarHBondContact O-N 2.91Å | ||
| 168 | Q | 57.4 | Low | 59.2 | Low | 179 Ų | 179 | 100.6 Ų | 100.6 | 84% | 0.836 | 52% | 0.522 | S | S | * | . | trans | -78.7 | 116.2 | 163.1 | -164.5 | 161.2 | 3.3 | 0 | 0 | 107.6 | C170 | Q168-C170 PolarHBondContact O-N 3.45Š| ||
| 169 | L | 67.7 | Low | 62.7 | Low | 27 Ų | 27 | 92.7 Ų | 92.7 | 14% | 0.141 | 49% | 0.494 | C | S | . | . | trans | -50 | 136 | 168.8 | -68.3 | 169.9 | 0 | 0 | 0 | 108.5 | E75 F132 L136 L167 M171 W173 | E75-L169 HydrophobicContact CG-CD2 4.27Å; E75-L169 WeakPolarHBondContact OE1-CA 3.28Å; F132-L169 HydrophobicContact CD1-CD1 4.07Å; F132-L169 HydrophobicContact CD1-CD2 4.08Å; F132-L169 HydrophobicContact CE1-CD1 4.41Å; F132-L169 HydrophobicContact CE1-CD2 3.7Å; L136-L169 HydrophobicContact CD1-CD1 4.03Å; L136-L169 HydrophobicContact CD2-CD1 3.84Å; L136-L169 HydrophobicContact CD2-CG 4.45Å; L136-L169 HydrophobicContact CG-CD1 4.21Å; L167-L169 PolarHBondContact O-N 2.91Å; L169-M171 HydrophobicContact CB-CG 4.1Å; L169-M171 PolarHBondContact O-N 3.46Å; L169-W173 HydrophobicContact CD1-CB 4.18Å | ||
| 170 | C | 77 | Confident | 66.1 | Low | 116 Ų | 116 | 82 Ų | 82 | 78% | 0.784 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -67.6 | -24.9 | 175.3 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | E75 Q168 | E75-C170 PolarHBondContact OE1-N 3.14Å; E75-C170 VanDerWaalsContact OE2-CB 3.27Å; E75-C170 WeakPolarHBondContact OE2-CB 3.26Å; Q168-C170 PolarHBondContact O-N 3.45Å |
| 171 | M | 82.9 | Confident | 69.7 | Low | 21 Ų | 21 | 79.3 Ų | 79.3 | 10% | 0.103 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -89.1 | 147 | 176.4 | 62.6 | 179.1 | 57.5 | 0 | 0 | 113.1 | E75 W78 H79 L169 W173 E176 | E75-M171 HydrophobicContact CB-CE 3.5Å; E75-M171 VanDerWaalsContact CB-CE 3.5Å; E75-M171 HydrophobicContact CG-CE 3.49Å; E75-M171 VanDerWaalsContact CG-CE 3.49Å; E75-M171 HydrophobicContact CG-CG 4.44Å; E75-M171 HydrophobicContact CG-SD 4.3Å; W78-M171 HydrophobicContact CB-CE 4.36Å; W78-M171 HydrophobicContact CG-CE 4.19Å; W78-M171 HydrophobicContact CG-SD 4.3Å; H79-M171 WeakPolarHBondContact NE2-CE 3.37Å; L169-M171 HydrophobicContact CB-CG 4.1Å; L169-M171 PolarHBondContact O-N 3.46Å; M171-W173 PolarHBondContact O-N 3.06Å; M171-W173 VanDerWaalsContact O-N 3.13Å; M171-W173 HydrophobicContact SD-CE3 4.41Å; M171-E176 HydrophobicContact CB-CG 4.21Å; M171-E176 HydrophobicContact SD-CG 4.13Å |
| 172 | D | 88.1 | Confident | 73.1 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | trans | -75 | 98.5 | 166.6 | -174.4 | -18.5 | 0 | 0 | 0 | 109.3 | F174 V175 E176 | D172-F174 VanDerWaalsContact C-N 3.25Å; D172-F174 PolarHBondContact O-N 3.23Å; D172-F174 PolarHBondContact OD1-N 2.69Å; D172-F174 VanDerWaalsContact OD1-N 3.12Å; D172-V175 HydrophobicContact CB-CB 4.26Å; D172-V175 HydrophobicContact CB-CG2 4.22Å; D172-V175 PolarHBondContact O-N 2.93Å; D172-V175 WeakPolarHBondContact OD2-CG2 3.16Å; D172-E176 WeakPolarHBondContact O-CG 3.36Å; D172-E176 PolarHBondContact O-N 3Å; D172-E176 VanDerWaalsContact O-N 3.07Å | ||
| 173 | W | 92.6 | Very high | 76.5 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.7 | -34.9 | -176.4 | 179.3 | -111.9 | 0 | 0 | 0 | 113.2 | W78 V129 F132 E133 L136 L169 M171 V175 E176 C177 | W78-W173 HydrophobicContact CD2-CZ3 4.36Å; W78-W173 HydrophobicContact CE3-CZ3 4.49Å; W78-W173 AromaticContact CH2-CH2 4Å; W78-W173 HydrophobicContact CH2-CH2 4Å; W78-W173 HydrophobicContact CH2-CZ3 4.12Å; W78-W173 HydrophobicContact CZ2-CH2 4.35Å; W78-W173 HydrophobicContact CZ2-CZ3 4.03Å; W78-W173 HydrophobicContact CZ3-CH2 4.22Å; W78-W173 HydrophobicContact CZ3-CZ3 4.37Å; V129-W173 HydrophobicContact CG1-CZ2 4.31Å; V129-W173 HydrophobicContact CG2-CH2 4.38Å; F132-W173 HydrophobicContact CB-CD2 4.28Å; F132-W173 HydrophobicContact CB-CE3 4.09Å; F132-W173 HydrophobicContact CB-CH2 3.42Å; F132-W173 VanDerWaalsContact CB-CH2 3.42Å; F132-W173 HydrophobicContact CB-CZ2 3.59Å; F132-W173 HydrophobicContact CB-CZ3 3.67Å; F132-W173 HydrophobicContact CD1-CZ3 4.4Å; F132-W173 HydrophobicContact CD2-CE3 4.43Å; F132-W173 AromaticContact CD2-CH2 3.78Å; F132-W173 HydrophobicContact CD2-CH2 3.78Å; F132-W173 AromaticContact CD2-CZ3 3.57Å; F132-W173 HydrophobicContact CD2-CZ3 3.57Å; F132-W173 HydrophobicContact CE2-CZ3 4.31Å; F132-W173 HydrophobicContact CG-CE3 4.12Å; F132-W173 AromaticContact CG-CH2 3.84Å; F132-W173 HydrophobicContact CG-CH2 3.84Å; F132-W173 HydrophobicContact CG-CZ2 4.46Å; F132-W173 AromaticContact CG-CZ3 3.64Å; F132-W173 HydrophobicContact CG-CZ3 3.64Å; E133-W173 HydrophobicContact CG-CZ2 4.13Å; E133-W173 PolarHBondContact OE1-NE1 3.18Å; L136-W173 HydrophobicContact CD1-CB 4.01Å; L136-W173 HydrophobicContact CD1-CD2 4.09Å; L136-W173 HydrophobicContact CD1-CG 3.48Å; L136-W173 VanDerWaalsContact CD1-CG 3.48Å; L169-W173 HydrophobicContact CD1-CB 4.18Å; M171-W173 PolarHBondContact O-N 3.06Å; M171-W173 VanDerWaalsContact O-N 3.13Å; M171-W173 HydrophobicContact SD-CE3 4.41Å; W173-V175 VanDerWaalsContact C-N 3.34Å; W173-V175 PolarHBondContact O-N 3Å; W173-E176 HydrophobicContact CE3-CB 4.42Å; W173-E176 PolarHBondContact O-N 2.73Å; W173-C177 HydrophobicContact CZ2-CB 4.23Å; W173-C177 WeakPolarHBondContact O-CB 3.4Å; W173-C177 PolarHBondContact O-N 3.18Å |
| 174 | F | 92 | Very high | 80 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | -179.7 | -72.3 | -87.9 | 0 | 0 | 0 | 111.5 | D172 E178 I222 N225 I228 | D172-F174 VanDerWaalsContact C-N 3.25Å; D172-F174 PolarHBondContact O-N 3.23Å; D172-F174 PolarHBondContact OD1-N 2.69Å; D172-F174 VanDerWaalsContact OD1-N 3.12Å; F174-E178 WeakPolarHBondContact O-CB 3.47Å; F174-E178 PolarHBondContact O-N 2.96Å; F174-I222 HydrophobicContact CD1-CD1 3.98Å; F174-I222 HydrophobicContact CE1-CD1 3.7Å; F174-I222 HydrophobicContact CZ-CD1 4.33Å; F174-N225 HydrophobicContact CD1-CB 3.99Å; F174-N225 VanDerWaalsContact CD1-ND2 3.28Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.4Å; F174-N225 HydrophobicContact CE1-CB 4.24Å; F174-I228 HydrophobicContact CB-CD1 4.12Å; F174-I228 HydrophobicContact CD1-CD1 3.61Å; F174-I228 HydrophobicContact CG-CD1 4.32Å |
| 175 | V | 94.2 | Very high | 83.2 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | D172 W173 E178 K179 | D172-V175 HydrophobicContact CB-CB 4.26Å; D172-V175 HydrophobicContact CB-CG2 4.22Å; D172-V175 PolarHBondContact O-N 2.93Å; D172-V175 WeakPolarHBondContact OD2-CG2 3.16Å; W173-V175 VanDerWaalsContact C-N 3.34Å; W173-V175 PolarHBondContact O-N 3Å; V175-E178 PolarHBondContact O-N 3.34Å; V175-K179 WeakPolarHBondContact O-CG 3.25Å; V175-K179 PolarHBondContact O-N 2.79Å; V175-K179 VanDerWaalsContact O-N 3.08Å |
| 176 | E | 94.8 | Very high | 86.2 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 178.5 | -66.7 | -59.4 | 119.8 | 0 | 0 | 111.9 | W78 L82 M171 D172 W173 K179 A180 | W78-E176 HydrophobicContact CZ2-CB 4.04Å; W78-E176 PolarHBondContact NE1-OE2 3.16Å; L82-E176 WeakPolarHBondContact CD2-OE2 3.21Å; M171-E176 HydrophobicContact CB-CG 4.21Å; M171-E176 HydrophobicContact SD-CG 4.13Å; D172-E176 WeakPolarHBondContact O-CG 3.36Å; D172-E176 PolarHBondContact O-N 3Å; D172-E176 VanDerWaalsContact O-N 3.07Å; W173-E176 HydrophobicContact CE3-CB 4.42Å; W173-E176 PolarHBondContact O-N 2.73Å; E176-K179 PolarHBondContact O-N 2.91Å; E176-K179 IonicContact OE1-NZ 2.78Å; E176-K179 PolarHBondContact OE1-NZ 2.97Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 3.29Å |
| 177 | C | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | W173 K179 A180 V181 I228 | W173-C177 HydrophobicContact CZ2-CB 4.23Å; W173-C177 WeakPolarHBondContact O-CB 3.4Å; W173-C177 PolarHBondContact O-N 3.18Å; C177-K179 VanDerWaalsContact C-N 3.33Å; C177-K179 PolarHBondContact O-N 2.89Å; C177-A180 PolarHBondContact O-N 3.38Å; C177-V181 WeakPolarHBondContact O-CG2 3.26Å; C177-V181 PolarHBondContact O-N 3.26Å; C177-I228 HydrophobicContact CB-CD1 4.1Å |
| 178 | E | 96.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.7 | -48.1 | 173.6 | -176.8 | -167.2 | 157.6 | 0 | 0 | 111.2 | F174 V175 A180 V181 G182 N227 I228 | F174-E178 WeakPolarHBondContact O-CB 3.47Å; F174-E178 PolarHBondContact O-N 2.96Å; V175-E178 PolarHBondContact O-N 3.34Å; E178-A180 PolarHBondContact O-N 3.21Å; E178-V181 PolarHBondContact O-N 3.44Å; E178-G182 PolarHBondContact O-N 2.74Å; E178-N227 HydrophobicContact CG-CB 4.11Å; E178-N227 WeakPolarHBondContact OE2-CB 3.37Å; E178-N227 PolarHBondContact OE2-ND2 3.47Å; E178-N227 VanDerWaalsContact OE2-ND2 3.12Å; E178-I228 HydrophobicContact CB-CG1 4.2Å |
| 179 | K | 97.5 | Very high | 93.1 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.7 | -70.7 | 170.9 | -170.3 | 165.5 | 0 | 112 | L82 V175 E176 C177 G182 A183 | L82-K179 HydrophobicContact CD2-CB 4.17Å; L82-K179 HydrophobicContact CD2-CD 4.48Å; V175-K179 WeakPolarHBondContact O-CG 3.25Å; V175-K179 PolarHBondContact O-N 2.79Å; V175-K179 VanDerWaalsContact O-N 3.08Å; E176-K179 PolarHBondContact O-N 2.91Å; E176-K179 IonicContact OE1-NZ 2.78Å; E176-K179 PolarHBondContact OE1-NZ 2.97Å; C177-K179 VanDerWaalsContact C-N 3.33Å; C177-K179 PolarHBondContact O-N 2.89Å; K179-G182 PolarHBondContact O-N 2.82Å; K179-A183 WeakPolarHBondContact O-CB 3.48Å; K179-A183 PolarHBondContact O-N 3.39Å |
| 180 | A | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | W78 L82 L125 V129 E176 C177 E178 G182 A183 L184 | W78-A180 HydrophobicContact CH2-CB 3.51Å; W78-A180 HydrophobicContact CZ2-CB 3.9Å; L82-A180 HydrophobicContact CD1-CB 4.15Å; L125-A180 HydrophobicContact CD1-CB 4.05Å; L125-A180 HydrophobicContact CD2-CB 4.48Å; L125-A180 HydrophobicContact CG-CB 4.46Å; V129-A180 HydrophobicContact CG2-CB 4.11Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 3.29Å; C177-A180 PolarHBondContact O-N 3.38Å; E178-A180 PolarHBondContact O-N 3.21Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.99Å; A180-A183 PolarHBondContact O-N 3.32Å; A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 3.32Å |
| 181 | V | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 176 | 179 | 0 | 0 | 0 | 0 | 110.8 | C177 E178 A183 L184 D185 L216 A231 V232 L235 | C177-V181 WeakPolarHBondContact O-CG2 3.26Å; C177-V181 PolarHBondContact O-N 3.26Å; E178-V181 PolarHBondContact O-N 3.44Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 3.38Å; V181-L184 WeakPolarHBondContact O-CB 3.32Å; V181-L184 PolarHBondContact O-N 2.8Å; V181-D185 PolarHBondContact O-N 3.02Å; V181-L216 HydrophobicContact CG2-CD1 3.59Å; V181-A231 HydrophobicContact CB-CB 4.05Å; V181-A231 VanDerWaalsContact CG1-C 3.49Å; V181-A231 HydrophobicContact CG1-CB 3.71Å; V181-V232 HydrophobicContact CG1-CG2 4.05Å; V181-V232 HydrophobicContact CG2-CG2 4.43Å; V181-L235 HydrophobicContact CG1-CB 4.28Å; V181-L235 HydrophobicContact CG1-CD2 3.98Å |
| 182 | G | 98 | Very high | 95.5 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | E178 K179 A180 D185 Q186 | E178-G182 PolarHBondContact O-N 2.74Å; K179-G182 PolarHBondContact O-N 2.82Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.99Å; G182-D185 PolarHBondContact O-N 3.36Å; G182-Q186 VanDerWaalsContact O-CG 3.28Å; G182-Q186 WeakPolarHBondContact O-CG 3.25Å; G182-Q186 PolarHBondContact O-N 3.14Å |
| 183 | A | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.4 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y85 K179 A180 V181 Q186 I187 | Y85-A183 HydrophobicContact CD1-CB 3.81Å; Y85-A183 HydrophobicContact CE1-CB 4.37Å; K179-A183 WeakPolarHBondContact O-CB 3.48Å; K179-A183 PolarHBondContact O-N 3.39Å; A180-A183 PolarHBondContact O-N 3.32Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 3.38Å; A183-Q186 PolarHBondContact O-N 2.77Å; A183-I187 PolarHBondContact O-N 3.1Å |
| 184 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 171 | -70.6 | 173.8 | 0 | 0 | 0 | 111.4 | Y85 T122 L125 A180 V181 I187 C188 P209 C212 L235 | Y85-L184 HydrophobicContact CE1-CD2 4.04Å; Y85-L184 HydrophobicContact CE2-CD2 4.44Å; Y85-L184 WeakPolarHBondContact OH-CD2 3.43Å; T122-L184 HydrophobicContact CG2-CD2 4.2Å; L125-L184 HydrophobicContact CD2-CD2 3.85Å; L125-L184 HydrophobicContact CD2-CG 3.89Å; A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 3.32Å; V181-L184 WeakPolarHBondContact O-CB 3.32Å; V181-L184 PolarHBondContact O-N 2.8Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.48Å; L184-I187 PolarHBondContact O-N 3.4Å; L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 2.97Å; L184-C188 PolarHBondContact O-SG 3.05Å; L184-P209 HydrophobicContact CD1-CB 4.33Å; L184-P209 HydrophobicContact CD2-CB 4.34Å; L184-C212 HydrophobicContact CD1-CB 4.48Å; L184-L235 HydrophobicContact CB-CD1 4.38Å; L184-L235 HydrophobicContact CB-CD2 3.65Å; L184-L235 HydrophobicContact CD1-CD2 4.13Å |
| 185 | D | 98.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.5 | 180 | 43 | 0 | 0 | 0 | 111.6 | V181 G182 I187 C188 R189 L235 T238 | V181-D185 PolarHBondContact O-N 3.02Å; G182-D185 PolarHBondContact O-N 3.36Å; D185-I187 PolarHBondContact O-N 3.46Å; D185-C188 PolarHBondContact O-N 3.46Å; D185-R189 VanDerWaalsContact CG-NE 3.27Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 3.33Å; D185-R189 PolarHBondContact O-N 3.09Å; D185-R189 IonicContact OD1-CZ 2.79Å; D185-R189 IonicContact OD1-NE 2.68Å; D185-R189 PolarHBondContact OD1-NE 3.44Å; D185-R189 IonicContact OD1-NH2 3.15Å; D185-R189 PolarHBondContact OD1-NH2 3.49Å; D185-R189 IonicContact OD2-CZ 3.63Å; D185-R189 IonicContact OD2-NE 2.71Å; D185-R189 PolarHBondContact OD2-NE 3.19Å; D185-R189 IonicContact OD2-NH1 3.41Å; D185-R189 IonicContact OD2-NH2 2.65Å; D185-R189 PolarHBondContact OD2-NH2 3.35Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.23Å; D185-T238 WeakPolarHBondContact OD1-CB 3.4Å; D185-T238 PolarHBondContact OD1-OG1 3.08Å |
| 186 | Q | 97.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 33.5 Ų | 33.5 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 178 | -71.8 | 172.7 | 14.1 | 0 | 0 | 112.7 | V89 G182 A183 C188 R189 | V89-Q186 HydrophobicContact CG1-CB 3.76Å; V89-Q186 HydrophobicContact CG2-CB 4.38Å; G182-Q186 VanDerWaalsContact O-CG 3.28Å; G182-Q186 WeakPolarHBondContact O-CG 3.25Å; G182-Q186 PolarHBondContact O-N 3.14Å; A183-Q186 PolarHBondContact O-N 2.77Å; Q186-C188 VanDerWaalsContact C-N 3.34Å; Q186-R189 PolarHBondContact O-N 3.45Å |
| 187 | I | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 176 | -151.8 | 72.3 | 0 | 0 | 0 | 110.6 | Y85 V89 L92 L118 A183 L184 D185 R189 L190 L192 | Y85-I187 HydrophobicContact CE1-CB 3.97Å; Y85-I187 HydrophobicContact CE1-CG2 3.95Å; Y85-I187 WeakPolarHBondContact OH-CG2 3.28Å; 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 4.37Å; L92-I187 HydrophobicContact CD2-CD1 4.23Å; L118-I187 HydrophobicContact CD1-CD1 4.17Å; L118-I187 HydrophobicContact CD1-CG1 3.59Å; A183-I187 PolarHBondContact O-N 3.1Å; L184-I187 VanDerWaalsContact O-CG2 3.27Å; L184-I187 WeakPolarHBondContact O-CG2 3.48Å; L184-I187 PolarHBondContact O-N 3.4Å; D185-I187 PolarHBondContact O-N 3.46Å; I187-R189 PolarHBondContact O-N 3.13Å; I187-L190 HydrophobicContact CD1-CD1 3.75Å; I187-L190 HydrophobicContact CG1-CD1 4.45Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 WeakPolarHBondContact O-CG 3.4Å; I187-L190 PolarHBondContact O-N 3.49Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.48Å |
| 188 | C | 96.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.1 | -18.4 | -174.5 | -70 | 0 | 0 | 0 | 0 | 111.2 | L184 D185 Q186 L235 T238 L239 R242 Y243 | L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 2.97Å; L184-C188 PolarHBondContact O-SG 3.05Å; D185-C188 PolarHBondContact O-N 3.46Å; Q186-C188 VanDerWaalsContact C-N 3.34Å; C188-L235 HydrophobicContact CB-CD1 4.36Å; C188-T238 HydrophobicContact CB-CG2 3.72Å; C188-L239 HydrophobicContact CB-CD2 4.37Å; C188-R242 PolarHBondContact O-NH1 2.94Å; C188-Y243 HydrophobicContact CB-CE2 4.14Å; C188-Y243 VanDerWaalsContact O-CE2 3.26Å; C188-Y243 WeakPolarHBondContact O-CE2 3.43Å; C188-Y243 PolarHBondContact O-OH 3.28Å |
| 189 | R | 95.7 | Very high | 93.4 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.7 | 172.7 | -71.9 | 174.3 | -173.3 | -156.1 | -2.7 | 114.7 | D185 Q186 I187 T238 R242 | D185-R189 VanDerWaalsContact CG-NE 3.27Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 3.33Å; D185-R189 PolarHBondContact O-N 3.09Å; D185-R189 IonicContact OD1-CZ 2.79Å; D185-R189 IonicContact OD1-NE 2.68Å; D185-R189 PolarHBondContact OD1-NE 3.44Å; D185-R189 IonicContact OD1-NH2 3.15Å; D185-R189 PolarHBondContact OD1-NH2 3.49Å; D185-R189 IonicContact OD2-CZ 3.63Å; D185-R189 IonicContact OD2-NE 2.71Å; D185-R189 PolarHBondContact OD2-NE 3.19Å; D185-R189 IonicContact OD2-NH1 3.41Å; D185-R189 IonicContact OD2-NH2 2.65Å; D185-R189 PolarHBondContact OD2-NH2 3.35Å; Q186-R189 PolarHBondContact O-N 3.45Å; I187-R189 PolarHBondContact O-N 3.13Å; R189-T238 HydrophobicContact CG-CG2 3.76Å; R189-T238 PolarHBondContact NE-OG1 2.92Å; R189-R242 PolarHBondContact O-NH1 3.49Å |
| 190 | L | 94.3 | Very high | 93 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.4 | 158.9 | 172.7 | -55.1 | -178.9 | 0 | 0 | 0 | 111.9 | L96 I187 L192 R242 | L96-L190 HydrophobicContact CD1-CB 4.03Å; I187-L190 HydrophobicContact CD1-CD1 3.75Å; I187-L190 HydrophobicContact CG1-CD1 4.45Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 WeakPolarHBondContact O-CG 3.4Å; I187-L190 PolarHBondContact O-N 3.49Å; L190-L192 HydrophobicContact CB-CD2 3.89Å; L190-L192 HydrophobicContact CB-CG 4.29Å; L190-L192 PolarHBondContact O-N 3.32Å; L190-R242 PolarHBondContact O-NH1 3.4Å; L190-R242 PolarHBondContact O-NH2 3.42Å |
| 191 | K | 89.9 | Confident | 92.5 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 39% | 0.391 | 24% | 0.236 | S | C | . | . | trans | -75.6 | 66.6 | 175.2 | -67.6 | -165.8 | -172.3 | 163.8 | 0 | 111.8 | Q100 D193 Q194 | Q100-K191 HydrophobicContact CG-CD 4.43Å; K191-D193 VanDerWaalsContact CA-OD1 3.32Å; K191-D193 WeakPolarHBondContact CA-OD1 3.36Å; K191-D193 WeakPolarHBondContact CB-OD1 3.32Å; K191-D193 PolarHBondContact O-N 3.21Å; K191-Q194 HydrophobicContact CB-CG 4.45Å; K191-Q194 PolarHBondContact O-N 3.01Å | ||
| 192 | L | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64 | -27.1 | -175.3 | -64.1 | -171 | 0 | 0 | 0 | 112.1 | L92 L96 L118 I187 L190 Q194 L195 W196 F205 Y243 | L92-L192 HydrophobicContact CD2-CD2 4.09Å; L96-L192 HydrophobicContact CD1-CD2 3.98Å; L118-L192 HydrophobicContact CD2-CD1 4.14Å; L118-L192 HydrophobicContact CD2-CD2 3.92Å; I187-L192 HydrophobicContact CG1-CD2 4.48Å; I187-L192 WeakPolarHBondContact O-CD1 3.48Å; L190-L192 HydrophobicContact CB-CD2 3.89Å; L190-L192 HydrophobicContact CB-CG 4.29Å; L190-L192 PolarHBondContact O-N 3.32Å; L192-Q194 PolarHBondContact O-N 3.14Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.09Å; L192-W196 HydrophobicContact CB-CZ3 3.91Å; L192-W196 WeakPolarHBondContact O-CZ3 3.39Å; L192-F205 HydrophobicContact CD1-CE1 3.84Å; L192-F205 HydrophobicContact CD1-CZ 4.03Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.49Å; L192-Y243 WeakPolarHBondContact CG-OH 3.37Å |
| 193 | D | 86 | Confident | 91.8 | Very high | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -48.9 | -30.4 | 176 | 55.7 | -63.5 | 0 | 0 | 0 | 113.7 | K191 L195 W196 P199 | K191-D193 VanDerWaalsContact CA-OD1 3.32Å; K191-D193 WeakPolarHBondContact CA-OD1 3.36Å; K191-D193 WeakPolarHBondContact CB-OD1 3.32Å; K191-D193 PolarHBondContact O-N 3.21Å; D193-L195 PolarHBondContact O-N 2.92Å; D193-L195 VanDerWaalsContact O-N 3.12Å; D193-W196 PolarHBondContact O-N 3.31Å; D193-W196 VanDerWaalsContact O-N 3.14Å; D193-P199 HydrophobicContact CB-CB 4.25Å; D193-P199 WeakPolarHBondContact CB-O 3.43Å; D193-P199 VanDerWaalsContact O-CA 3.28Å; D193-P199 WeakPolarHBondContact O-CA 3.45Å; D193-P199 WeakPolarHBondContact O-CB 3.34Å |
| 194 | Q | 87.9 | Confident | 91.5 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -65.1 | -12.1 | 176.1 | -60.4 | -172.1 | 2.2 | 0 | 0 | 114.6 | L96 T99 M111 K191 L192 | L96-Q194 HydrophobicContact CD2-CB 4Å; T99-Q194 PolarHBondContact OG1-OE1 3.29Å; M111-Q194 VanDerWaalsContact CE-O 3.24Å; M111-Q194 WeakPolarHBondContact CE-O 3.46Å; K191-Q194 HydrophobicContact CB-CG 4.45Å; K191-Q194 PolarHBondContact O-N 3.01Å; L192-Q194 PolarHBondContact O-N 3.14Å |
| 195 | L | 90.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -92.5 | -9 | 177.7 | -58.5 | 177.6 | 0 | 0 | 0 | 113 | L92 L96 L106 H114 R115 L118 L192 D193 | L92-L195 HydrophobicContact CD1-CD1 4.23Å; L92-L195 HydrophobicContact CD2-CD1 4.09Å; L96-L195 HydrophobicContact CD2-CD2 4.18Å; L96-L195 HydrophobicContact CD2-CG 4.34Å; L106-L195 HydrophobicContact CD1-CD2 4.28Å; H114-L195 HydrophobicContact CB-CD2 3.89Å; R115-L195 HydrophobicContact CB-CB 4.22Å; R115-L195 WeakPolarHBondContact CD-O 3.49Å; R115-L195 PolarHBondContact NH1-O 2.82Å; L118-L195 HydrophobicContact CD2-CD1 3.79Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.09Å; D193-L195 PolarHBondContact O-N 2.92Å; D193-L195 VanDerWaalsContact O-N 3.12Å |
| 196 | W | 90.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -108.9 | 150.4 | 177.3 | -73.7 | -101.8 | 0 | 0 | 0 | 111 | R115 L118 L192 D193 P198 P199 V200 A201 E202 F205 | R115-W196 HydrophobicContact CG-CZ2 4.29Å; L118-W196 HydrophobicContact CD2-CH2 4.02Å; L118-W196 HydrophobicContact CD2-CZ3 4.39Å; L192-W196 HydrophobicContact CB-CZ3 3.91Å; L192-W196 WeakPolarHBondContact O-CZ3 3.39Å; D193-W196 PolarHBondContact O-N 3.31Å; D193-W196 VanDerWaalsContact O-N 3.14Å; W196-P198 CarbonylContact C-O 3.57Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.33Å; W196-P198 CarbonylContact O-C 3.57Å; W196-P199 WeakPolarHBondContact O-CA 3.49Å; W196-V200 WeakPolarHBondContact CB-O 3.39Å; W196-A201 HydrophobicContact CD2-CB 4.18Å; W196-A201 HydrophobicContact CE3-CB 4.15Å; W196-A201 HydrophobicContact CH2-CB 4.1Å; W196-A201 HydrophobicContact CZ2-CB 4.1Å; W196-A201 HydrophobicContact CZ3-CB 4.15Å; W196-E202 PolarHBondContact NE1-OE2 3.48Å; W196-F205 AromaticContact CH2-CD1 3.87Å; W196-F205 HydrophobicContact CH2-CD1 3.87Å; W196-F205 HydrophobicContact CH2-CE1 4.02Å; W196-F205 HydrophobicContact CH2-CG 4.21Å; W196-F205 HydrophobicContact CH2-CZ 4.48Å; W196-F205 HydrophobicContact CZ2-CB 4.25Å; W196-F205 HydrophobicContact CZ2-CD1 4.05Å; W196-F205 HydrophobicContact CZ2-CG 4.04Å |
| 197 | D | 84.1 | Confident | 91.2 | Very high | 117 Ų | 117 | 53 Ų | 53 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -137.1 | 105.4 | 173.6 | -179 | 20.6 | 0 | 0 | 0 | 108 | ||
| 198 | P | 85.4 | Confident | 91.1 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 61% | 0.61 | 28% | 0.28 | S | S | * | . | S | Bend | cis | -63.9 | 160.6 | 2 | 29.3 | -36.1 | 0 | 0 | 0 | 112.9 | W196 V200 | W196-P198 CarbonylContact C-O 3.57Å; W196-P198 VanDerWaalsContact CB-O 3.29Å; W196-P198 WeakPolarHBondContact CB-O 3.33Å; W196-P198 CarbonylContact O-C 3.57Å; P198-V200 PolarHBondContact O-N 3.16Å |
| 199 | P | 86.4 | Confident | 91.2 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -75.9 | 59.9 | -172.1 | 33.4 | -38.1 | 0 | 0 | 0 | 112.8 | D193 W196 | D193-P199 HydrophobicContact CB-CB 4.25Å; D193-P199 WeakPolarHBondContact CB-O 3.43Å; D193-P199 VanDerWaalsContact O-CA 3.28Å; D193-P199 WeakPolarHBondContact O-CA 3.45Å; D193-P199 WeakPolarHBondContact O-CB 3.34Å; W196-P199 WeakPolarHBondContact O-CA 3.49Å |
| 200 | V | 88.3 | Confident | 91.3 | Very high | 104 Ų | 104 | 48 Ų | 48 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | trans | -131.4 | 118.5 | 177.2 | -179 | 0 | 0 | 0 | 0 | 106.3 | W196 P198 E202 | W196-V200 WeakPolarHBondContact CB-O 3.39Å; P198-V200 PolarHBondContact O-N 3.16Å; V200-E202 PolarHBondContact O-N 3.38Å | ||
| 201 | A | 88.2 | Confident | 91.5 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | trans | -63.2 | 135.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | W196 F205 I206 Y243 | W196-A201 HydrophobicContact CD2-CB 4.18Å; W196-A201 HydrophobicContact CE3-CB 4.15Å; W196-A201 HydrophobicContact CH2-CB 4.1Å; W196-A201 HydrophobicContact CZ2-CB 4.1Å; W196-A201 HydrophobicContact CZ3-CB 4.15Å; A201-F205 HydrophobicContact CB-CD1 4.47Å; A201-I206 HydrophobicContact CB-CD1 4.31Å; A201-I206 HydrophobicContact CB-CG1 4.43Å; A201-Y243 HydrophobicContact CB-CD1 3.94Å; A201-Y243 HydrophobicContact CB-CE1 3.94Å | ||
| 202 | E | 90.5 | Very high | 91.8 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | trans | -63.7 | 145.5 | 177.6 | 67.9 | -165.1 | -154.6 | 0 | 0 | 111.7 | K119 W196 V200 D204 F205 I206 | K119-E202 WeakPolarHBondContact CE-OE1 3.34Å; K119-E202 WeakPolarHBondContact CE-OE2 3.45Å; K119-E202 IonicContact NZ-OE1 3.53Å; K119-E202 PolarHBondContact NZ-OE1 3.25Å; K119-E202 IonicContact NZ-OE2 3.78Å; K119-E202 PolarHBondContact NZ-OE2 2.97Å; W196-E202 PolarHBondContact NE1-OE2 3.48Å; V200-E202 PolarHBondContact O-N 3.38Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 2.85Å; E202-F205 HydrophobicContact CG-CB 3.69Å; E202-F205 WeakPolarHBondContact O-CB 3.42Å; E202-F205 PolarHBondContact O-N 3.46Å; E202-F205 VanDerWaalsContact O-N 3.14Å; E202-I206 PolarHBondContact O-N 3.01Å | ||
| 203 | E | 91.5 | Very high | 92.1 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.4 | -39 | -176.2 | -162.9 | -178 | 161.8 | 0 | 0 | 112.3 | F205 I206 N207 | E203-F205 PolarHBondContact O-N 2.94Å; E203-I206 PolarHBondContact O-N 3.03Å; E203-N207 WeakPolarHBondContact O-CB 3.34Å; E203-N207 VanDerWaalsContact O-CG 3.23Å; E203-N207 PolarHBondContact O-N 3.07Å; E203-N207 PolarHBondContact O-ND2 2.61Å |
| 204 | D | 91.8 | Very high | 92.7 | Very high | 92 Ų | 92 | 44.3 Ų | 44.3 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.6 | -35 | 177.6 | -63.4 | -35.4 | 0 | 0 | 0 | 112.4 | I6 E202 L208 | I6-D204 HydrophobicContact CB-CB 4.26Å; I6-D204 HydrophobicContact CD1-CB 4.17Å; E202-D204 VanDerWaalsContact C-N 3.3Å; E202-D204 PolarHBondContact O-N 2.85Å; D204-L208 PolarHBondContact O-N 3.15Å |
| 205 | F | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.9 | -41.5 | 175.9 | 174.3 | -100.6 | 0 | 0 | 0 | 112 | I6 L118 K119 T122 L192 W196 A201 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 4.06Å; L118-F205 HydrophobicContact CD2-CE2 4.16Å; L118-F205 HydrophobicContact CD2-CZ 3.84Å; L118-F205 HydrophobicContact CG-CE2 3.8Å; L118-F205 HydrophobicContact CG-CZ 3.85Å; K119-F205 HydrophobicContact CG-CD2 4.08Å; T122-F205 HydrophobicContact CG2-CE2 4.01Å; T122-F205 WeakPolarHBondContact OG1-CE2 3.14Å; L192-F205 HydrophobicContact CD1-CE1 3.84Å; L192-F205 HydrophobicContact CD1-CZ 4.03Å; W196-F205 AromaticContact CH2-CD1 3.87Å; W196-F205 HydrophobicContact CH2-CD1 3.87Å; W196-F205 HydrophobicContact CH2-CE1 4.02Å; W196-F205 HydrophobicContact CH2-CG 4.21Å; W196-F205 HydrophobicContact CH2-CZ 4.48Å; W196-F205 HydrophobicContact CZ2-CB 4.25Å; W196-F205 HydrophobicContact CZ2-CD1 4.05Å; W196-F205 HydrophobicContact CZ2-CG 4.04Å; A201-F205 HydrophobicContact CB-CD1 4.47Å; E202-F205 HydrophobicContact CG-CB 3.69Å; E202-F205 WeakPolarHBondContact O-CB 3.42Å; E202-F205 PolarHBondContact O-N 3.46Å; E202-F205 VanDerWaalsContact O-N 3.14Å; E203-F205 PolarHBondContact O-N 2.94Å; F205-N207 VanDerWaalsContact C-N 3.3Å; F205-L208 PolarHBondContact O-N 3.42Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å |
| 206 | I | 96.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 178.2 | -61.6 | 156.3 | 0 | 0 | 0 | 110.4 | A201 E202 E203 L208 P209 A210 L239 Y243 H245 | A201-I206 HydrophobicContact CB-CD1 4.31Å; A201-I206 HydrophobicContact CB-CG1 4.43Å; E202-I206 PolarHBondContact O-N 3.01Å; E203-I206 PolarHBondContact O-N 3.03Å; I206-L208 VanDerWaalsContact C-N 3.29Å; I206-L208 PolarHBondContact O-N 3.05Å; I206-P209 VanDerWaalsContact O-CD 3.25Å; I206-P209 WeakPolarHBondContact O-CD 3.47Å; I206-P209 WeakPolarHBondContact O-CG 3.49Å; I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.38Å; I206-L239 HydrophobicContact CG2-CD2 4.3Å; I206-Y243 HydrophobicContact CD1-CD1 4.04Å; I206-Y243 HydrophobicContact CD1-CG 4.23Å; I206-Y243 HydrophobicContact CG1-CD1 3.97Å; I206-Y243 HydrophobicContact CG1-CG 4.09Å; I206-H245 HydrophobicContact CG2-CB 4.31Å |
| 207 | N | 95.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 44.3 Ų | 44.3 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -26.4 | 179.4 | -75 | -22.5 | 0 | 0 | 0 | 113.1 | E203 F205 N211 | E203-N207 WeakPolarHBondContact O-CB 3.34Å; E203-N207 VanDerWaalsContact O-CG 3.23Å; E203-N207 PolarHBondContact O-N 3.07Å; E203-N207 PolarHBondContact O-ND2 2.61Å; F205-N207 VanDerWaalsContact C-N 3.3Å; N207-N211 WeakPolarHBondContact O-CB 3.11Å; N207-N211 PolarHBondContact O-N 3.37Å; N207-N211 PolarHBondContact O-ND2 3.44Å |
| 208 | L | 96.3 | Very high | 94 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -62.5 | 176.1 | -72.3 | 174.9 | 0 | 0 | 0 | 112.9 | I6 T122 Y123 D204 F205 I206 A210 N211 C212 | I6-L208 HydrophobicContact CD1-CD1 3.71Å; I6-L208 HydrophobicContact CD1-CG 4.42Å; I6-L208 HydrophobicContact CG1-CD1 4.13Å; I6-L208 HydrophobicContact CG2-CD1 3.99Å; I6-L208 HydrophobicContact CG2-CD2 4.06Å; I6-L208 HydrophobicContact CG2-CG 4.12Å; T122-L208 HydrophobicContact CG2-CB 3.96Å; T122-L208 HydrophobicContact CG2-CD1 4.04Å; Y123-L208 HydrophobicContact CD2-CD2 4.1Å; D204-L208 PolarHBondContact O-N 3.15Å; F205-L208 PolarHBondContact O-N 3.42Å; I206-L208 VanDerWaalsContact C-N 3.29Å; I206-L208 PolarHBondContact O-N 3.05Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 2.89Å; L208-N211 PolarHBondContact O-N 3.1Å; L208-C212 WeakPolarHBondContact O-CB 3.36Å; L208-C212 PolarHBondContact O-N 3.32Å; L208-C212 VanDerWaalsContact O-N 3.08Å |
| 209 | P | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -33.4 | 177.6 | 25.9 | -33.6 | 0 | 0 | 0 | 112.3 | L184 F205 I206 C212 C213 L235 L239 | L184-P209 HydrophobicContact CD1-CB 4.33Å; L184-P209 HydrophobicContact CD2-CB 4.34Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å; I206-P209 VanDerWaalsContact O-CD 3.25Å; I206-P209 WeakPolarHBondContact O-CD 3.47Å; I206-P209 WeakPolarHBondContact O-CG 3.49Å; P209-C212 WeakPolarHBondContact O-CB 3.41Å; P209-C212 PolarHBondContact O-N 2.88Å; P209-C213 PolarHBondContact O-N 3.37Å; P209-C213 VanDerWaalsContact O-N 3.08Å; P209-C213 PolarHBondContact O-SG 3.14Å; P209-L235 HydrophobicContact CB-CD1 4.36Å; P209-L235 HydrophobicContact CB-CD2 4.2Å; P209-L239 HydrophobicContact CB-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD1 4.31Å; P209-L239 HydrophobicContact CG-CD2 4Å |
| 210 | A | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -50.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I206 L208 C212 C213 Y214 L239 H245 | I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.38Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 2.89Å; A210-C212 VanDerWaalsContact C-N 3.27Å; A210-C212 PolarHBondContact O-N 2.66Å; A210-C213 VanDerWaalsContact O-CB 3.3Å; A210-C213 WeakPolarHBondContact O-CB 3.33Å; A210-C213 PolarHBondContact O-N 3.24Å; A210-C213 VanDerWaalsContact O-N 3.09Å; A210-Y214 HydrophobicContact CB-CE2 3.88Å; A210-Y214 WeakPolarHBondContact O-CD2 3.19Å; A210-Y214 WeakPolarHBondContact O-CE2 3.08Å; A210-Y214 PolarHBondContact O-N 3.44Å; A210-L239 HydrophobicContact CB-CD1 3.92Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.33Å |
| 211 | N | 97.1 | Very high | 94.7 | Very high | 81 Ų | 81 | 42.6 Ų | 42.6 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -33.3 | 178.2 | -70.8 | -31.1 | 0 | 0 | 0 | 111.8 | N207 L208 C213 Y214 K215 | N207-N211 WeakPolarHBondContact O-CB 3.11Å; N207-N211 PolarHBondContact O-N 3.37Å; N207-N211 PolarHBondContact O-ND2 3.44Å; L208-N211 PolarHBondContact O-N 3.1Å; N211-C213 VanDerWaalsContact C-N 3.34Å; N211-Y214 PolarHBondContact O-N 3.29Å; N211-K215 VanDerWaalsContact O-CB 3.28Å; N211-K215 WeakPolarHBondContact O-CB 3.3Å; N211-K215 PolarHBondContact O-N 2.92Å |
| 212 | C | 97.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 170.8 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | C126 L184 L208 P209 A210 K215 L216 | C126-C212 HydrophobicContact CB-CB 4.31Å; L184-C212 HydrophobicContact CD1-CB 4.48Å; L208-C212 WeakPolarHBondContact O-CB 3.36Å; L208-C212 PolarHBondContact O-N 3.32Å; L208-C212 VanDerWaalsContact O-N 3.08Å; P209-C212 WeakPolarHBondContact O-CB 3.41Å; P209-C212 PolarHBondContact O-N 2.88Å; A210-C212 VanDerWaalsContact C-N 3.27Å; A210-C212 PolarHBondContact O-N 2.66Å; C212-K215 PolarHBondContact O-N 3.38Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.38Å; C212-L216 VanDerWaalsContact O-N 3.15Å |
| 213 | C | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 174.5 | -73 | 0 | 0 | 0 | 0 | 112.7 | P209 A210 N211 K215 L216 L217 V232 L235 L236 | P209-C213 PolarHBondContact O-N 3.37Å; P209-C213 VanDerWaalsContact O-N 3.08Å; P209-C213 PolarHBondContact O-SG 3.14Å; A210-C213 VanDerWaalsContact O-CB 3.3Å; A210-C213 WeakPolarHBondContact O-CB 3.33Å; A210-C213 PolarHBondContact O-N 3.24Å; A210-C213 VanDerWaalsContact O-N 3.09Å; N211-C213 VanDerWaalsContact C-N 3.34Å; C213-K215 VanDerWaalsContact C-N 3.29Å; C213-K215 PolarHBondContact O-N 2.96Å; C213-L216 PolarHBondContact O-N 3.43Å; C213-L217 WeakPolarHBondContact O-CG 3.4Å; C213-L217 PolarHBondContact O-N 2.98Å; C213-L217 VanDerWaalsContact O-N 3.14Å; C213-V232 HydrophobicContact CB-CG1 3.86Å; C213-L235 WeakPolarHBondContact SG-CD2 3.37Å; C213-L236 HydrophobicContact CB-CD2 3.85Å; C213-L236 HydrophobicContact CB-CG 4.15Å |
| 214 | Y | 98.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | -177.8 | -58.4 | -45.1 | 0 | 0 | 0 | 111.8 | A210 N211 L217 E218 L236 H245 C249 K252 L253 L256 | A210-Y214 HydrophobicContact CB-CE2 3.88Å; A210-Y214 WeakPolarHBondContact O-CD2 3.19Å; A210-Y214 WeakPolarHBondContact O-CE2 3.08Å; A210-Y214 PolarHBondContact O-N 3.44Å; N211-Y214 PolarHBondContact O-N 3.29Å; Y214-L217 PolarHBondContact O-N 2.83Å; Y214-E218 PolarHBondContact O-N 2.87Å; Y214-L236 HydrophobicContact CE1-CD1 4.42Å; Y214-L236 HydrophobicContact CE1-CD2 3.82Å; Y214-H245 AromaticContact CE2-NE2 3.95Å; Y214-H245 AromaticContact CZ-NE2 4Å; Y214-H245 PolarHBondContact OH-CD2 3.4Å; Y214-H245 PolarHBondContact OH-NE2 2.83Å; Y214-H245 VanDerWaalsContact OH-NE2 3.13Å; Y214-C249 WeakPolarHBondContact OH-CA 3.36Å; Y214-C249 WeakPolarHBondContact OH-CB 3.38Å; Y214-K252 HydrophobicContact CD1-CB 3.89Å; Y214-K252 HydrophobicContact CD2-CB 3.83Å; Y214-K252 HydrophobicContact CD2-CD 4.15Å; Y214-K252 HydrophobicContact CD2-CG 3.78Å; Y214-K252 HydrophobicContact CE1-CB 3.77Å; Y214-K252 HydrophobicContact CE2-CB 3.71Å; Y214-K252 HydrophobicContact CE2-CG 3.67Å; Y214-K252 HydrophobicContact CG-CB 3.96Å; Y214-K252 HydrophobicContact CG-CG 4.35Å; Y214-L253 HydrophobicContact CD1-CD2 4.42Å; Y214-L253 HydrophobicContact CE1-CD2 4.21Å; Y214-L253 HydrophobicContact CE1-CG 4.38Å; Y214-L256 HydrophobicContact CD1-CD1 4.05Å |
| 215 | K | 94.6 | Very high | 95 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.4 | -172.2 | 65.7 | -174.2 | 165.1 | 0 | 112.2 | N211 C212 C213 L217 E218 | N211-K215 VanDerWaalsContact O-CB 3.28Å; N211-K215 WeakPolarHBondContact O-CB 3.3Å; N211-K215 PolarHBondContact O-N 2.92Å; C212-K215 PolarHBondContact O-N 3.38Å; C213-K215 VanDerWaalsContact C-N 3.29Å; C213-K215 PolarHBondContact O-N 2.96Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.48Å; K215-E218 WeakPolarHBondContact CD-OE2 3.31Å; K215-E218 IonicContact NZ-OE2 3.74Å; K215-E218 PolarHBondContact NZ-OE2 2.97Å; K215-E218 WeakPolarHBondContact O-CB 3.35Å; K215-E218 PolarHBondContact O-N 3.46Å |
| 216 | L | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -29.7 | 176.7 | -69 | 171 | 0 | 0 | 0 | 112.9 | V129 E133 V181 C212 C213 E218 I222 V232 | V129-L216 HydrophobicContact CG1-CD1 4.32Å; V129-L216 HydrophobicContact CG1-CD2 3.87Å; V129-L216 HydrophobicContact CG1-CG 4.3Å; E133-L216 HydrophobicContact CG-CD2 3.65Å; E133-L216 VanDerWaalsContact OE1-CD2 3.28Å; E133-L216 WeakPolarHBondContact OE1-CD2 3.45Å; V181-L216 HydrophobicContact CG2-CD1 3.59Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.38Å; C212-L216 VanDerWaalsContact O-N 3.15Å; C213-L216 PolarHBondContact O-N 3.43Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-I222 HydrophobicContact CB-CG2 3.98Å; L216-I222 HydrophobicContact CD2-CG2 3.99Å; L216-I222 WeakPolarHBondContact O-CG2 3.29Å; L216-V232 HydrophobicContact CD1-CG2 4.34Å |
| 217 | L | 96.7 | Very high | 95 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.4 | -18.9 | 177.3 | -69.1 | 172.9 | 0 | 0 | 0 | 113.5 | C213 Y214 K215 D219 A223 V232 L236 L253 L256 H262 M263 I270 | C213-L217 WeakPolarHBondContact O-CG 3.4Å; C213-L217 PolarHBondContact O-N 2.98Å; C213-L217 VanDerWaalsContact O-N 3.14Å; Y214-L217 PolarHBondContact O-N 2.83Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.48Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.43Å; L217-A223 HydrophobicContact CD2-CB 4.28Å; L217-V232 HydrophobicContact CD1-CG1 4.02Å; L217-V232 HydrophobicContact CD2-CG1 4.19Å; L217-V232 HydrophobicContact CG-CG1 4.1Å; L217-L236 HydrophobicContact CD1-CD1 4.48Å; L217-L253 HydrophobicContact CD1-CD2 4.13Å; L217-L256 HydrophobicContact CB-CD1 3.92Å; L217-L256 HydrophobicContact CD1-CD1 4.17Å; L217-H262 PolarHBondContact O-NE2 3.12Å; L217-M263 HydrophobicContact CB-CE 4.38Å; L217-M263 HydrophobicContact CB-SD 4.11Å; L217-M263 HydrophobicContact CD1-CE 4.38Å; L217-M263 HydrophobicContact CD2-CE 4.38Å; L217-I270 HydrophobicContact CD1-CD1 4.3Å |
| 218 | E | 94.3 | Very high | 95 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 174.2 | -63 | 179.2 | -175.2 | 0 | 0 | 111.6 | Y214 K215 L216 L256 F260 H262 | Y214-E218 PolarHBondContact O-N 2.87Å; K215-E218 WeakPolarHBondContact CD-OE2 3.31Å; K215-E218 IonicContact NZ-OE2 3.74Å; K215-E218 PolarHBondContact NZ-OE2 2.97Å; K215-E218 WeakPolarHBondContact O-CB 3.35Å; K215-E218 PolarHBondContact O-N 3.46Å; L216-E218 VanDerWaalsContact C-N 3.34Å; E218-L256 HydrophobicContact CG-CD2 3.67Å; E218-F260 HydrophobicContact CB-CE2 3.96Å; E218-F260 HydrophobicContact CB-CZ 3.9Å; E218-F260 HydrophobicContact CG-CE2 3.81Å; E218-F260 HydrophobicContact CG-CZ 4.06Å; E218-H262 PolarHBondContact O-CE1 3.27Å |
| 219 | D | 91.1 | Very high | 95 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -83.4 | 123.6 | 179.9 | -170.1 | -41.5 | 0 | 0 | 0 | 110.9 | N137 L217 D221 I222 A223 | N137-D219 PolarHBondContact ND2-OD2 3.13Å; N137-D219 PolarHBondContact OD1-OD2 3.37Å; N137-D219 VanDerWaalsContact OD1-OD2 3.07Å; L217-D219 VanDerWaalsContact C-N 3.26Å; L217-D219 PolarHBondContact O-N 3.43Å; D219-D221 PolarHBondContact O-N 2.94Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D219-I222 HydrophobicContact CB-CB 4.1Å; D219-I222 HydrophobicContact CB-CG1 4.02Å; D219-I222 PolarHBondContact OD1-N 3.33Å; D219-A223 WeakPolarHBondContact O-CB 3.5Å; D219-A223 PolarHBondContact O-N 2.79Å |
| 220 | R | 92.8 | Very high | 94.9 | Very high | 159 Ų | 159 | 43.5 Ų | 43.5 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.2 | -43.9 | 178.9 | 177.5 | -171.5 | -71.9 | -164.7 | -1.9 | 112 | A223 S224 H262 | R220-A223 PolarHBondContact O-N 3.08Å; R220-S224 WeakPolarHBondContact O-CB 3.28Å; R220-S224 PolarHBondContact O-N 3.46Å; R220-S224 PolarHBondContact O-OG 2.97Å; R220-H262 HydrophobicContact CG-CB 4.22Å |
| 221 | D | 89.9 | Confident | 94.8 | Very high | 103 Ų | 103 | 44 Ų | 44 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.4 | -43.2 | -171.7 | -68.7 | -28.5 | 0 | 0 | 0 | 109.9 | D219 S224 N225 | D219-D221 PolarHBondContact O-N 2.94Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D221-S224 PolarHBondContact O-N 2.95Å; D221-S224 PolarHBondContact O-OG 2.97Å; D221-N225 PolarHBondContact O-N 2.82Å |
| 222 | I | 91.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -49.6 | 173.2 | -59.8 | -67.2 | 0 | 0 | 0 | 111.1 | E133 F174 L216 D219 S224 N225 I228 | E133-I222 WeakPolarHBondContact OE1-CD1 3.36Å; F174-I222 HydrophobicContact CD1-CD1 3.98Å; F174-I222 HydrophobicContact CE1-CD1 3.7Å; F174-I222 HydrophobicContact CZ-CD1 4.33Å; L216-I222 HydrophobicContact CB-CG2 3.98Å; L216-I222 HydrophobicContact CD2-CG2 3.99Å; L216-I222 WeakPolarHBondContact O-CG2 3.29Å; D219-I222 HydrophobicContact CB-CB 4.1Å; D219-I222 HydrophobicContact CB-CG1 4.02Å; D219-I222 PolarHBondContact OD1-N 3.33Å; I222-S224 PolarHBondContact O-N 2.71Å; I222-N225 WeakPolarHBondContact O-CB 3.26Å; I222-N225 PolarHBondContact O-N 3.07Å; I222-N225 VanDerWaalsContact O-N 3.14Å; I222-I228 HydrophobicContact CD1-CD1 4.2Å; I222-I228 HydrophobicContact CG2-CD1 4.13Å; I222-I228 HydrophobicContact CG2-CG2 3.83Å |
| 223 | A | 91.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -28.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 D219 R220 R229 | L217-A223 HydrophobicContact CD2-CB 4.28Å; D219-A223 WeakPolarHBondContact O-CB 3.5Å; D219-A223 PolarHBondContact O-N 2.79Å; R220-A223 PolarHBondContact O-N 3.08Å; A223-R229 WeakPolarHBondContact O-CD 3.46Å; A223-R229 PolarHBondContact O-NH1 3.27Å |
| 224 | S | 91.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -76.1 | -26.9 | 177.2 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | R220 D221 I222 A226 R229 | R220-S224 WeakPolarHBondContact O-CB 3.28Å; R220-S224 PolarHBondContact O-N 3.46Å; R220-S224 PolarHBondContact O-OG 2.97Å; D221-S224 PolarHBondContact O-N 2.95Å; D221-S224 PolarHBondContact O-OG 2.97Å; I222-S224 PolarHBondContact O-N 2.71Å; S224-A226 PolarHBondContact O-N 3.48Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 3.35Å |
| 225 | N | 93.9 | Very high | 94.8 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | trans | -64 | 120 | 177.4 | -174 | -54.9 | 0 | 0 | 0 | 110.6 | F174 D221 I222 N227 I228 R229 | F174-N225 HydrophobicContact CD1-CB 3.99Å; F174-N225 VanDerWaalsContact CD1-ND2 3.28Å; F174-N225 WeakPolarHBondContact CD1-ND2 3.4Å; F174-N225 HydrophobicContact CE1-CB 4.24Å; D221-N225 PolarHBondContact O-N 2.82Å; I222-N225 WeakPolarHBondContact O-CB 3.26Å; I222-N225 PolarHBondContact O-N 3.07Å; I222-N225 VanDerWaalsContact O-N 3.14Å; N225-N227 PolarHBondContact O-N 3.38Å; N225-N227 PolarHBondContact OD1-N 3.17Å; N225-I228 HydrophobicContact CB-CB 4.36Å; N225-I228 HydrophobicContact CB-CD1 4.22Å; N225-I228 HydrophobicContact CB-CG1 4.3Å; N225-I228 PolarHBondContact OD1-N 3.49Å; N225-R229 WeakPolarHBondContact O-CB 3.43Å; N225-R229 PolarHBondContact O-N 2.96Å | ||
| 226 | A | 94.1 | Very high | 95 | Very high | 46 Ų | 46 | 43 Ų | 43 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -40.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S224 I230 | S224-A226 PolarHBondContact O-N 3.48Å; A226-I230 WeakPolarHBondContact O-CB 3.35Å; A226-I230 WeakPolarHBondContact O-CD1 3.41Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 3.42Å |
| 227 | N | 96 | Very high | 95 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -47.2 | -176.2 | -65.4 | -8 | 0 | 0 | 0 | 111.4 | E178 N225 I230 A231 | E178-N227 HydrophobicContact CG-CB 4.11Å; E178-N227 WeakPolarHBondContact OE2-CB 3.37Å; E178-N227 PolarHBondContact OE2-ND2 3.47Å; E178-N227 VanDerWaalsContact OE2-ND2 3.12Å; N225-N227 PolarHBondContact O-N 3.38Å; N225-N227 PolarHBondContact OD1-N 3.17Å; N227-I230 PolarHBondContact O-N 3.29Å; N227-A231 WeakPolarHBondContact O-CB 3.38Å; N227-A231 PolarHBondContact O-N 2.83Å |
| 228 | I | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.7 | -57.7 | 177.8 | 0 | 0 | 0 | 109.8 | F174 C177 E178 I222 N225 I230 A231 V232 | F174-I228 HydrophobicContact CB-CD1 4.12Å; F174-I228 HydrophobicContact CD1-CD1 3.61Å; F174-I228 HydrophobicContact CG-CD1 4.32Å; C177-I228 HydrophobicContact CB-CD1 4.1Å; E178-I228 HydrophobicContact CB-CG1 4.2Å; I222-I228 HydrophobicContact CD1-CD1 4.2Å; I222-I228 HydrophobicContact CG2-CD1 4.13Å; I222-I228 HydrophobicContact CG2-CG2 3.83Å; N225-I228 HydrophobicContact CB-CB 4.36Å; N225-I228 HydrophobicContact CB-CD1 4.22Å; N225-I228 HydrophobicContact CB-CG1 4.3Å; N225-I228 PolarHBondContact OD1-N 3.49Å; I228-I230 VanDerWaalsContact C-N 3.32Å; I228-I230 PolarHBondContact O-N 3.38Å; I228-A231 WeakPolarHBondContact O-CB 3.43Å; I228-A231 PolarHBondContact O-N 3Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-V232 HydrophobicContact CG2-CG2 4.17Å; I228-V232 WeakPolarHBondContact O-CG2 3.16Å; I228-V232 PolarHBondContact O-N 3.01Å |
| 229 | R | 96.2 | Very high | 95.2 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 177.1 | -176.6 | 170.7 | 57.9 | -116.2 | -3.4 | 111.8 | A223 S224 N225 V232 I233 | A223-R229 WeakPolarHBondContact O-CD 3.46Å; A223-R229 PolarHBondContact O-NH1 3.27Å; S224-R229 VanDerWaalsContact CA-NH1 3.28Å; S224-R229 PolarHBondContact O-NH1 3.35Å; N225-R229 WeakPolarHBondContact O-CB 3.43Å; N225-R229 PolarHBondContact O-N 2.96Å; R229-V232 PolarHBondContact O-N 3.44Å; R229-I233 HydrophobicContact CG-CD1 3.89Å; R229-I233 WeakPolarHBondContact O-CB 3.28Å; R229-I233 WeakPolarHBondContact O-CD1 3.39Å; R229-I233 WeakPolarHBondContact O-CG1 3.34Å; R229-I233 PolarHBondContact O-N 2.94Å |
| 230 | I | 96 | Very high | 95.4 | Very high | 76 Ų | 76 | 39 Ų | 39 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.1 | -71.2 | 164.3 | 0 | 0 | 0 | 111.1 | A226 N227 I228 I233 R234 | A226-I230 WeakPolarHBondContact O-CB 3.35Å; A226-I230 WeakPolarHBondContact O-CD1 3.41Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 3.42Å; N227-I230 PolarHBondContact O-N 3.29Å; I228-I230 VanDerWaalsContact C-N 3.32Å; I228-I230 PolarHBondContact O-N 3.38Å; I230-I233 PolarHBondContact O-N 2.97Å; I230-R234 WeakPolarHBondContact O-CG 3.32Å; I230-R234 PolarHBondContact O-N 3.06Å |
| 231 | A | 97.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V181 N227 I228 R234 L235 | V181-A231 HydrophobicContact CB-CB 4.05Å; V181-A231 VanDerWaalsContact CG1-C 3.49Å; V181-A231 HydrophobicContact CG1-CB 3.71Å; N227-A231 WeakPolarHBondContact O-CB 3.38Å; N227-A231 PolarHBondContact O-N 2.83Å; I228-A231 WeakPolarHBondContact O-CB 3.43Å; I228-A231 PolarHBondContact O-N 3Å; I228-A231 VanDerWaalsContact O-N 3.1Å; A231-R234 PolarHBondContact O-N 2.97Å; A231-L235 PolarHBondContact O-N 3.01Å |
| 232 | V | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | 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 4.34Å; L217-V232 HydrophobicContact CD1-CG1 4.02Å; L217-V232 HydrophobicContact CD2-CG1 4.19Å; L217-V232 HydrophobicContact CG-CG1 4.1Å; I228-V232 HydrophobicContact CG2-CG2 4.17Å; I228-V232 WeakPolarHBondContact O-CG2 3.16Å; I228-V232 PolarHBondContact O-N 3.01Å; R229-V232 PolarHBondContact O-N 3.44Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 2.98Å; V232-L235 PolarHBondContact O-N 3.01Å; 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 3.46Å; V232-L236 PolarHBondContact O-N 3.38Å |
| 233 | I | 97.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 176.6 | -72.9 | 164.5 | 0 | 0 | 0 | 110.8 | R229 I230 L236 A237 A269 I270 S273 | R229-I233 HydrophobicContact CG-CD1 3.89Å; R229-I233 WeakPolarHBondContact O-CB 3.28Å; R229-I233 WeakPolarHBondContact O-CD1 3.39Å; R229-I233 WeakPolarHBondContact O-CG1 3.34Å; R229-I233 PolarHBondContact O-N 2.94Å; I230-I233 PolarHBondContact O-N 2.97Å; I233-L236 PolarHBondContact O-N 2.98Å; I233-A237 WeakPolarHBondContact O-CB 3.46Å; I233-A237 PolarHBondContact O-N 2.89Å; I233-A269 HydrophobicContact CD1-CB 4.18Å; I233-I270 HydrophobicContact CD1-CG1 4.26Å; I233-I270 HydrophobicContact CG1-CB 4.44Å; I233-I270 HydrophobicContact CG1-CG1 3.66Å; I233-S273 WeakPolarHBondContact CG2-OG 3.31Å |
| 234 | R | 96.7 | Very high | 95.6 | Very high | 133 Ų | 133 | 41 Ų | 41 | 50% | 0.502 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.7 | -74.8 | 173.9 | 178.1 | 172.6 | 3 | 111.9 | I230 A231 V232 A237 T238 | I230-R234 WeakPolarHBondContact O-CG 3.32Å; I230-R234 PolarHBondContact O-N 3.06Å; A231-R234 PolarHBondContact O-N 2.97Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 2.98Å; R234-A237 PolarHBondContact O-N 3.4Å; R234-T238 PolarHBondContact O-N 3.48Å; R234-T238 PolarHBondContact O-OG1 3.36Å |
| 235 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 177.3 | 177.4 | 50 | 0 | 0 | 0 | 111.1 | V181 L184 D185 C188 P209 C213 A231 V232 A237 T238 L239 | V181-L235 HydrophobicContact CG1-CB 4.28Å; V181-L235 HydrophobicContact CG1-CD2 3.98Å; L184-L235 HydrophobicContact CB-CD1 4.38Å; L184-L235 HydrophobicContact CB-CD2 3.65Å; L184-L235 HydrophobicContact CD1-CD2 4.13Å; D185-L235 HydrophobicContact CB-CB 4.11Å; D185-L235 HydrophobicContact CB-CD1 4.23Å; C188-L235 HydrophobicContact CB-CD1 4.36Å; P209-L235 HydrophobicContact CB-CD1 4.36Å; P209-L235 HydrophobicContact CB-CD2 4.2Å; C213-L235 WeakPolarHBondContact SG-CD2 3.37Å; A231-L235 PolarHBondContact O-N 3.01Å; V232-L235 PolarHBondContact O-N 3.01Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.39Å; L235-T238 WeakPolarHBondContact O-CB 3.45Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 VanDerWaalsContact O-N 3.16Å; L235-L239 HydrophobicContact CD1-CD1 4.07Å; L235-L239 HydrophobicContact CD1-CD2 4.3Å; L235-L239 HydrophobicContact CD1-CG 3.95Å; L235-L239 HydrophobicContact CG-CD1 4.16Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 2.68Å |
| 236 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 176.4 | -70.5 | 177.9 | 0 | 0 | 0 | 111.9 | C213 Y214 L217 V232 I233 T238 L239 V240 F274 | C213-L236 HydrophobicContact CB-CD2 3.85Å; C213-L236 HydrophobicContact CB-CG 4.15Å; Y214-L236 HydrophobicContact CE1-CD1 4.42Å; Y214-L236 HydrophobicContact CE1-CD2 3.82Å; L217-L236 HydrophobicContact CD1-CD1 4.48Å; 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 3.46Å; V232-L236 PolarHBondContact O-N 3.38Å; I233-L236 PolarHBondContact O-N 2.98Å; L236-T238 PolarHBondContact O-N 2.96Å; L236-L239 PolarHBondContact O-N 3.11Å; L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 VanDerWaalsContact O-CG2 3.25Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.27Å; L236-F274 HydrophobicContact CB-CZ 4.24Å |
| 237 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 R234 L235 R241 F274 E278 L280 | I233-A237 WeakPolarHBondContact O-CB 3.46Å; I233-A237 PolarHBondContact O-N 2.89Å; R234-A237 PolarHBondContact O-N 3.4Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.39Å; A237-R241 WeakPolarHBondContact O-CB 3.35Å; A237-R241 PolarHBondContact O-N 2.78Å; A237-F274 HydrophobicContact CB-CD1 4.47Å; A237-F274 HydrophobicContact CB-CE1 3.89Å; A237-E278 HydrophobicContact CB-CB 4.49Å; A237-E278 HydrophobicContact CB-CG 3.72Å; A237-L280 HydrophobicContact CB-CD1 4.39Å |
| 238 | T | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | D185 C188 R189 R234 L235 L236 R241 R242 | D185-T238 WeakPolarHBondContact OD1-CB 3.4Å; D185-T238 PolarHBondContact OD1-OG1 3.08Å; C188-T238 HydrophobicContact CB-CG2 3.72Å; R189-T238 HydrophobicContact CG-CG2 3.76Å; R189-T238 PolarHBondContact NE-OG1 2.92Å; R234-T238 PolarHBondContact O-N 3.48Å; R234-T238 PolarHBondContact O-OG1 3.36Å; L235-T238 WeakPolarHBondContact O-CB 3.45Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 VanDerWaalsContact O-N 3.16Å; L236-T238 PolarHBondContact O-N 2.96Å; T238-R241 PolarHBondContact O-N 3.46Å; T238-R242 WeakPolarHBondContact O-CB 3.24Å; T238-R242 PolarHBondContact O-N 2.9Å |
| 239 | L | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | -179.7 | -66.5 | 175.3 | 0 | 0 | 0 | 111.6 | C188 I206 P209 A210 L235 L236 Y243 H245 | C188-L239 HydrophobicContact CB-CD2 4.37Å; I206-L239 HydrophobicContact CG2-CD2 4.3Å; P209-L239 HydrophobicContact CB-CD1 4.36Å; P209-L239 HydrophobicContact CG-CD1 4.31Å; P209-L239 HydrophobicContact CG-CD2 4Å; A210-L239 HydrophobicContact CB-CD1 3.92Å; L235-L239 HydrophobicContact CD1-CD1 4.07Å; L235-L239 HydrophobicContact CD1-CD2 4.3Å; L235-L239 HydrophobicContact CD1-CG 3.95Å; L235-L239 HydrophobicContact CG-CD1 4.16Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 2.68Å; L236-L239 PolarHBondContact O-N 3.11Å; L239-Y243 HydrophobicContact CD2-CD2 4.24Å; L239-Y243 WeakPolarHBondContact O-CA 3.37Å; L239-Y243 WeakPolarHBondContact O-CB 3.25Å; L239-Y243 PolarHBondContact O-N 3.18Å; L239-H245 HydrophobicContact CB-CB 4.22Å |
| 240 | V | 96.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.7 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L236 G244 C249 L280 V283 | L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 VanDerWaalsContact O-CG2 3.25Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.27Å; V240-G244 PolarHBondContact O-N 3.43Å; V240-C249 HydrophobicContact CG2-CB 4.07Å; V240-L280 HydrophobicContact CG1-CD1 4.13Å; V240-V283 HydrophobicContact CG1-CG1 4.13Å; V240-V283 HydrophobicContact CG1-CG2 3.71Å |
| 241 | R | 92 | Very high | 95.9 | Very high | 117 Ų | 117 | 34.2 Ų | 34.2 | 44% | 0.442 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.1 | -38.9 | -173.9 | -177.2 | 176.4 | -64.4 | 110.2 | -2.6 | 113.5 | A237 T238 E278 | A237-R241 WeakPolarHBondContact O-CB 3.35Å; A237-R241 PolarHBondContact O-N 2.78Å; T238-R241 PolarHBondContact O-N 3.46Å; R241-E278 IonicContact CZ-OE2 4Å; R241-E278 IonicContact NH1-OE2 2.64Å; R241-E278 PolarHBondContact NH1-OE2 3.46Å; R241-E278 PolarHBondContact NH2-O 3.43Å; R241-E278 IonicContact NH2-OE2 3.11Å; R241-E278 PolarHBondContact NH2-OE2 3.08Å |
| 242 | R | 92.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -103.1 | -23.6 | -168.1 | -59.1 | -166.2 | 72.9 | -141.1 | 4.1 | 114.1 | C188 R189 L190 T238 | C188-R242 PolarHBondContact O-NH1 2.94Å; R189-R242 PolarHBondContact O-NH1 3.49Å; L190-R242 PolarHBondContact O-NH1 3.4Å; L190-R242 PolarHBondContact O-NH2 3.42Å; T238-R242 WeakPolarHBondContact O-CB 3.24Å; T238-R242 PolarHBondContact O-N 2.9Å |
| 243 | Y | 94.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -123.3 | 9 | -173 | -58.7 | -85.2 | 0 | 0 | 0 | 113.6 | C188 L192 A201 I206 L239 H245 | C188-Y243 HydrophobicContact CB-CE2 4.14Å; C188-Y243 VanDerWaalsContact O-CE2 3.26Å; C188-Y243 WeakPolarHBondContact O-CE2 3.43Å; C188-Y243 PolarHBondContact O-OH 3.28Å; L192-Y243 WeakPolarHBondContact CD1-OH 3.49Å; L192-Y243 WeakPolarHBondContact CG-OH 3.37Å; A201-Y243 HydrophobicContact CB-CD1 3.94Å; A201-Y243 HydrophobicContact CB-CE1 3.94Å; I206-Y243 HydrophobicContact CD1-CD1 4.04Å; I206-Y243 HydrophobicContact CD1-CG 4.23Å; I206-Y243 HydrophobicContact CG1-CD1 3.97Å; I206-Y243 HydrophobicContact CG1-CG 4.09Å; L239-Y243 HydrophobicContact CD2-CD2 4.24Å; L239-Y243 WeakPolarHBondContact O-CA 3.37Å; L239-Y243 WeakPolarHBondContact O-CB 3.25Å; L239-Y243 PolarHBondContact O-N 3.18Å; Y243-H245 VanDerWaalsContact C-N 3.3Å; Y243-H245 PolarHBondContact O-N 2.91Å |
| 244 | G | 90.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 37 Ų | 37 | 62% | 0.619 | 19% | 0.187 | S | C | * | . | trans | 69.3 | 24.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V240 S246 | V240-G244 PolarHBondContact O-N 3.43Å; G244-S246 PolarHBondContact O-N 2.96Å; G244-S246 VanDerWaalsContact O-N 3.1Å | ||
| 245 | H | 95.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 19.9 | -174.3 | -161.3 | 69.5 | 0 | 0 | 0 | 114.5 | I206 A210 Y214 L239 Y243 A248 C249 | I206-H245 HydrophobicContact CG2-CB 4.31Å; A210-H245 VanDerWaalsContact CB-NE2 3.33Å; A210-H245 WeakPolarHBondContact CB-NE2 3.33Å; Y214-H245 AromaticContact CE2-NE2 3.95Å; Y214-H245 AromaticContact CZ-NE2 4Å; Y214-H245 PolarHBondContact OH-CD2 3.4Å; Y214-H245 PolarHBondContact OH-NE2 2.83Å; Y214-H245 VanDerWaalsContact OH-NE2 3.13Å; L239-H245 HydrophobicContact CB-CB 4.22Å; Y243-H245 VanDerWaalsContact C-N 3.3Å; Y243-H245 PolarHBondContact O-N 2.91Å; H245-A248 VanDerWaalsContact CE1-CB 3.49Å; H245-A248 WeakPolarHBondContact CE1-CB 3.39Å; H245-C249 WeakPolarHBondContact O-CB 3.41Å; H245-C249 PolarHBondContact O-N 3.14Å; H245-C249 VanDerWaalsContact O-N 3.09Å |
| 246 | S | 94.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | -171.3 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | G244 C249 S250 E286 | G244-S246 PolarHBondContact O-N 2.96Å; G244-S246 VanDerWaalsContact O-N 3.1Å; S246-C249 PolarHBondContact O-N 2.97Å; S246-S250 WeakPolarHBondContact O-CB 3.46Å; S246-S250 PolarHBondContact O-N 3.1Å; S246-S250 PolarHBondContact O-OG 3.31Å; S246-E286 WeakPolarHBondContact CB-OE2 3Å; S246-E286 PolarHBondContact OG-OE2 3.46Å |
| 247 | I | 94.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 34.9 Ų | 34.9 | 57% | 0.574 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65.1 | -53.5 | -176.8 | -61.7 | 158 | 0 | 0 | 0 | 110 | C249 S250 V251 E286 | I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.37Å; I247-S250 WeakPolarHBondContact O-CB 3.1Å; I247-S250 PolarHBondContact O-N 3.36Å; I247-S250 VanDerWaalsContact O-N 3.14Å; I247-V251 WeakPolarHBondContact O-CG2 3.28Å; I247-V251 PolarHBondContact O-N 3.01Å; I247-V251 VanDerWaalsContact O-N 3.08Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.47Å |
| 248 | A | 95.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | H245 S250 V251 K252 | H245-A248 VanDerWaalsContact CE1-CB 3.49Å; H245-A248 WeakPolarHBondContact CE1-CB 3.39Å; A248-S250 PolarHBondContact O-N 2.85Å; A248-V251 PolarHBondContact O-N 3.03Å; A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 WeakPolarHBondContact O-CG 3.43Å; A248-K252 PolarHBondContact O-N 2.93Å |
| 249 | C | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.4 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | Y214 V240 H245 S246 I247 K252 L253 | Y214-C249 WeakPolarHBondContact OH-CA 3.36Å; Y214-C249 WeakPolarHBondContact OH-CB 3.38Å; V240-C249 HydrophobicContact CG2-CB 4.07Å; H245-C249 WeakPolarHBondContact O-CB 3.41Å; H245-C249 PolarHBondContact O-N 3.14Å; H245-C249 VanDerWaalsContact O-N 3.09Å; S246-C249 PolarHBondContact O-N 2.97Å; I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 3.37Å; C249-K252 PolarHBondContact O-N 3.31Å; C249-L253 WeakPolarHBondContact O-CB 3.2Å; C249-L253 VanDerWaalsContact O-CG 3.24Å; C249-L253 WeakPolarHBondContact O-CG 3.42Å; C249-L253 PolarHBondContact O-N 3.22Å |
| 250 | S | 96.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 178.7 | -60 | 0 | 0 | 0 | 0 | 111.7 | S246 I247 A248 A254 L287 | S246-S250 WeakPolarHBondContact O-CB 3.46Å; S246-S250 PolarHBondContact O-N 3.1Å; S246-S250 PolarHBondContact O-OG 3.31Å; I247-S250 WeakPolarHBondContact O-CB 3.1Å; I247-S250 PolarHBondContact O-N 3.36Å; I247-S250 VanDerWaalsContact O-N 3.14Å; A248-S250 PolarHBondContact O-N 2.85Å; S250-A254 WeakPolarHBondContact O-CB 3.46Å; S250-A254 PolarHBondContact O-N 2.89Å; S250-L287 WeakPolarHBondContact O-CD1 3.49Å |
| 251 | V | 96.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -47.5 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I247 A248 A254 Q255 E290 | I247-V251 WeakPolarHBondContact O-CG2 3.28Å; I247-V251 PolarHBondContact O-N 3.01Å; I247-V251 VanDerWaalsContact O-N 3.08Å; A248-V251 PolarHBondContact O-N 3.03Å; V251-A254 PolarHBondContact O-N 3.5Å; V251-Q255 WeakPolarHBondContact O-CG 3.5Å; V251-Q255 PolarHBondContact O-N 3.23Å; V251-E290 HydrophobicContact CG2-CG 4.33Å |
| 252 | K | 97.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -40.6 | -177.5 | -74.2 | -70.6 | 178.6 | -168.9 | 0 | 112.9 | Y214 A248 C249 Q255 L256 | Y214-K252 HydrophobicContact CD1-CB 3.89Å; Y214-K252 HydrophobicContact CD2-CB 3.83Å; Y214-K252 HydrophobicContact CD2-CD 4.15Å; Y214-K252 HydrophobicContact CD2-CG 3.78Å; Y214-K252 HydrophobicContact CE1-CB 3.77Å; Y214-K252 HydrophobicContact CE2-CB 3.71Å; Y214-K252 HydrophobicContact CE2-CG 3.67Å; Y214-K252 HydrophobicContact CG-CB 3.96Å; Y214-K252 HydrophobicContact CG-CG 4.35Å; A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 WeakPolarHBondContact O-CG 3.43Å; A248-K252 PolarHBondContact O-N 2.93Å; C249-K252 PolarHBondContact O-N 3.31Å; K252-Q255 PolarHBondContact O-N 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.49Å; K252-L256 PolarHBondContact O-N 2.93Å |
| 253 | L | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.9 | -36.2 | 176.4 | -68.3 | 177.3 | 0 | 0 | 0 | 112.2 | Y214 L217 C249 L256 L257 L267 I270 L287 | Y214-L253 HydrophobicContact CD1-CD2 4.42Å; Y214-L253 HydrophobicContact CE1-CD2 4.21Å; Y214-L253 HydrophobicContact CE1-CG 4.38Å; L217-L253 HydrophobicContact CD1-CD2 4.13Å; C249-L253 WeakPolarHBondContact O-CB 3.2Å; C249-L253 VanDerWaalsContact O-CG 3.24Å; C249-L253 WeakPolarHBondContact O-CG 3.42Å; C249-L253 PolarHBondContact O-N 3.22Å; L253-L256 HydrophobicContact CD2-CD1 4.36Å; L253-L256 PolarHBondContact O-N 3.29Å; L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 PolarHBondContact O-N 3.12Å; L253-L267 HydrophobicContact CB-CD1 3.84Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.12Å; L253-L267 HydrophobicContact CG-CD1 4.12Å; L253-I270 HydrophobicContact CD1-CD1 4.42Å; L253-I270 HydrophobicContact CD1-CG2 4.23Å; L253-I270 HydrophobicContact CD2-CD1 3.85Å; L253-L287 HydrophobicContact CB-CD1 3.85Å; L253-L287 HydrophobicContact CD1-CD2 4.48Å |
| 254 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S250 V251 L257 Q258 E290 I291 Y294 | S250-A254 WeakPolarHBondContact O-CB 3.46Å; S250-A254 PolarHBondContact O-N 2.89Å; V251-A254 PolarHBondContact O-N 3.5Å; A254-L257 PolarHBondContact O-N 3.36Å; A254-Q258 PolarHBondContact O-N 3.4Å; A254-E290 HydrophobicContact CB-CG 3.89Å; A254-I291 HydrophobicContact CB-CG1 3.89Å; A254-Y294 HydrophobicContact CB-CE2 3.88Å |
| 255 | Q | 95.9 | Very high | 96 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.9 | -72.6 | 173.7 | -6.4 | 0 | 0 | 112.3 | V251 K252 L257 Q258 C259 | V251-Q255 WeakPolarHBondContact O-CG 3.5Å; V251-Q255 PolarHBondContact O-N 3.23Å; K252-Q255 PolarHBondContact O-N 3.25Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.49Å; Q255-Q258 WeakPolarHBondContact O-CB 3.34Å; Q255-Q258 PolarHBondContact O-N 3.5Å; Q255-C259 PolarHBondContact O-N 3.15Å; Q255-C259 VanDerWaalsContact O-N 3.17Å; Q255-C259 PolarHBondContact O-SG 2.8Å; Q255-C259 VanDerWaalsContact O-SG 3.42Å |
| 256 | L | 98 | Very high | 96 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 176 | -73.2 | 173.2 | 0 | 0 | 0 | 111.7 | Y214 L217 E218 K252 L253 Q258 C259 F260 M263 | Y214-L256 HydrophobicContact CD1-CD1 4.05Å; L217-L256 HydrophobicContact CB-CD1 3.92Å; L217-L256 HydrophobicContact CD1-CD1 4.17Å; E218-L256 HydrophobicContact CG-CD2 3.67Å; K252-L256 WeakPolarHBondContact O-CG 3.49Å; K252-L256 PolarHBondContact O-N 2.93Å; L253-L256 HydrophobicContact CD2-CD1 4.36Å; L253-L256 PolarHBondContact O-N 3.29Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-C259 PolarHBondContact O-N 2.64Å; L256-F260 HydrophobicContact CD2-CD2 3.96Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.22Å; L256-F260 WeakPolarHBondContact O-CD2 3.38Å; L256-F260 PolarHBondContact O-N 3.14Å; L256-M263 HydrophobicContact CB-CG 4.18Å |
| 257 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 175.8 | -179.3 | 64.8 | 0 | 0 | 0 | 112.3 | L253 A254 Q255 M263 V264 L267 I291 N308 F309 F312 | L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 PolarHBondContact O-N 3.12Å; A254-L257 PolarHBondContact O-N 3.36Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.49Å; L257-M263 HydrophobicContact CB-CB 4.49Å; L257-M263 HydrophobicContact CD1-CB 4.17Å; L257-V264 HydrophobicContact CD1-CG2 3.82Å; L257-L267 HydrophobicContact CB-CD2 4.26Å; L257-L267 HydrophobicContact CD2-CD2 3.89Å; L257-I291 HydrophobicContact CD2-CD1 3.91Å; L257-I291 HydrophobicContact CD2-CG1 4.46Å; L257-N308 HydrophobicContact CD1-CB 4.17Å; L257-N308 HydrophobicContact CG-CB 4.44Å; L257-N308 VanDerWaalsContact O-CB 3.26Å; L257-N308 WeakPolarHBondContact O-CB 3.39Å; L257-N308 PolarHBondContact O-ND2 3.48Å; L257-N308 VanDerWaalsContact O-ND2 3.07Å; L257-F309 HydrophobicContact CB-CD1 4.4Å; L257-F309 HydrophobicContact CB-CE1 3.99Å; L257-F309 HydrophobicContact CD2-CD1 3.47Å; L257-F309 VanDerWaalsContact CD2-CD1 3.47Å; L257-F309 HydrophobicContact CD2-CE1 3.78Å; L257-F309 HydrophobicContact CG-CD1 3.65Å; L257-F309 HydrophobicContact CG-CE1 3.75Å; L257-F312 HydrophobicContact CD1-CB 4.13Å; L257-F312 HydrophobicContact CD1-CG 4.46Å; L257-F312 HydrophobicContact CD2-CB 3.76Å; L257-F312 HydrophobicContact CD2-CD1 3.61Å; L257-F312 HydrophobicContact CD2-CD2 4.43Å; L257-F312 HydrophobicContact CD2-CE1 4.33Å; L257-F312 HydrophobicContact CD2-CG 3.66Å |
| 258 | Q | 93.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 31.7 Ų | 31.7 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 173.8 | -170.6 | -173.9 | 9.5 | 0 | 0 | 110.8 | A254 Q255 L256 Y294 A305 N308 F309 | A254-Q258 PolarHBondContact O-N 3.4Å; Q255-Q258 WeakPolarHBondContact O-CB 3.34Å; Q255-Q258 PolarHBondContact O-N 3.5Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; Q258-Y294 HydrophobicContact CG-CE1 4.4Å; Q258-A305 HydrophobicContact CG-CB 3.55Å; Q258-N308 PolarHBondContact O-ND2 3.39Å; Q258-F309 HydrophobicContact CB-CE1 4.3Å; Q258-F309 HydrophobicContact CB-CZ 3.88Å; Q258-F309 HydrophobicContact CG-CZ 4.33Å |
| 259 | C | 94.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 31.4 Ų | 31.4 | 53% | 0.527 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -79.4 | -29.4 | -171.8 | -64.2 | 0 | 0 | 0 | 0 | 114.5 | Q255 L256 | Q255-C259 PolarHBondContact O-N 3.15Å; Q255-C259 VanDerWaalsContact O-N 3.17Å; Q255-C259 PolarHBondContact O-SG 2.8Å; Q255-C259 VanDerWaalsContact O-SG 3.42Å; L256-C259 PolarHBondContact O-N 2.64Å |
| 260 | F | 95.4 | Very high | 96.2 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | trans | -130.8 | 118.2 | -163.6 | -57.8 | -67.9 | 0 | 0 | 0 | 113.9 | E218 L256 H262 M263 | E218-F260 HydrophobicContact CB-CE2 3.96Å; E218-F260 HydrophobicContact CB-CZ 3.9Å; E218-F260 HydrophobicContact CG-CE2 3.81Å; E218-F260 HydrophobicContact CG-CZ 4.06Å; L256-F260 HydrophobicContact CD2-CD2 3.96Å; L256-F260 HydrophobicContact CD2-CE2 3.8Å; L256-F260 WeakPolarHBondContact O-CB 3.22Å; L256-F260 WeakPolarHBondContact O-CD2 3.38Å; L256-F260 PolarHBondContact O-N 3.14Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.42Å; F260-H262 AromaticContact CG-CE1 3.88Å; F260-H262 PolarHBondContact O-N 3.38Å; F260-M263 HydrophobicContact CB-CG 3.88Å; F260-M263 VanDerWaalsContact O-CB 3.32Å; F260-M263 WeakPolarHBondContact O-CB 3.4Å; F260-M263 PolarHBondContact O-N 3.36Å; F260-M263 VanDerWaalsContact O-N 3.11Å | ||
| 261 | P | 94.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 31.2 Ų | 31.2 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -32.9 | -178.7 | -26.8 | 36 | 0 | 0 | 0 | 115.7 | M263 V264 Q304 N308 | P261-M263 PolarHBondContact O-N 3.11Å; P261-V264 WeakPolarHBondContact O-CG2 3.49Å; P261-V264 PolarHBondContact O-N 3.35Å; P261-Q304 HydrophobicContact CG-CG 4.33Å; P261-N308 WeakPolarHBondContact CA-OD1 3.26Å |
| 262 | H | 95.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.3 | 178.5 | 64 | -88.9 | 0 | 0 | 0 | 112.4 | L217 E218 R220 F260 V264 T265 C266 | L217-H262 PolarHBondContact O-NE2 3.12Å; E218-H262 PolarHBondContact O-CE1 3.27Å; R220-H262 HydrophobicContact CG-CB 4.22Å; F260-H262 VanDerWaalsContact CB-CE1 3.49Å; F260-H262 WeakPolarHBondContact CB-CE1 3.42Å; F260-H262 AromaticContact CG-CE1 3.88Å; F260-H262 PolarHBondContact O-N 3.38Å; H262-V264 PolarHBondContact O-N 3.47Å; H262-T265 PolarHBondContact O-N 3.07Å; H262-C266 PolarHBondContact O-N 2.99Å; H262-C266 PolarHBondContact O-SG 2.89Å; H262-C266 VanDerWaalsContact O-SG 3.34Å |
| 263 | M | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.4 | -16.4 | 176.9 | -70.6 | -51.1 | -52.1 | 0 | 0 | 113.4 | L217 L256 L257 F260 P261 T265 C266 L267 | L217-M263 HydrophobicContact CB-CE 4.38Å; L217-M263 HydrophobicContact CB-SD 4.11Å; L217-M263 HydrophobicContact CD1-CE 4.38Å; L217-M263 HydrophobicContact CD2-CE 4.38Å; L256-M263 HydrophobicContact CB-CG 4.18Å; L257-M263 HydrophobicContact CB-CB 4.49Å; L257-M263 HydrophobicContact CD1-CB 4.17Å; F260-M263 HydrophobicContact CB-CG 3.88Å; F260-M263 VanDerWaalsContact O-CB 3.32Å; F260-M263 WeakPolarHBondContact O-CB 3.4Å; F260-M263 PolarHBondContact O-N 3.36Å; F260-M263 VanDerWaalsContact O-N 3.11Å; P261-M263 PolarHBondContact O-N 3.11Å; M263-T265 VanDerWaalsContact C-N 3.35Å; M263-T265 PolarHBondContact O-N 3.29Å; M263-C266 HydrophobicContact CE-CB 3.6Å; M263-C266 PolarHBondContact O-N 3.04Å; M263-C266 HydrophobicContact SD-CB 3.79Å; M263-L267 HydrophobicContact CE-CB 4.48Å; M263-L267 WeakPolarHBondContact O-CA 3.4Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.07Å |
| 264 | V | 96.4 | Very high | 96 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.9 | -52.4 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 110 | L257 P261 H262 M268 N308 N311 F312 | L257-V264 HydrophobicContact CD1-CG2 3.82Å; P261-V264 WeakPolarHBondContact O-CG2 3.49Å; P261-V264 PolarHBondContact O-N 3.35Å; H262-V264 PolarHBondContact O-N 3.47Å; V264-M268 WeakPolarHBondContact O-CB 3.45Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.36Å; V264-M268 PolarHBondContact O-N 3.06Å; V264-M268 VanDerWaalsContact O-N 3.13Å; V264-N308 HydrophobicContact CG2-CB 4.38Å; V264-N311 HydrophobicContact CG1-CB 4.11Å; V264-N311 HydrophobicContact CG2-CB 4.16Å; V264-F312 HydrophobicContact CG1-CB 4.26Å; V264-F312 HydrophobicContact CG2-CB 4.4Å |
| 265 | T | 95.2 | Very high | 95.9 | Very high | 104 Ų | 104 | 33 Ų | 33 | 64% | 0.638 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -70.4 | -41.9 | -179.6 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | H262 M263 M268 A269 | H262-T265 PolarHBondContact O-N 3.07Å; M263-T265 VanDerWaalsContact C-N 3.35Å; M263-T265 PolarHBondContact O-N 3.29Å; T265-M268 PolarHBondContact O-N 3.41Å; T265-A269 PolarHBondContact O-N 2.92Å; T265-A269 VanDerWaalsContact O-N 3.16Å |
| 266 | C | 95.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | -177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | H262 M263 M268 A269 I270 | H262-C266 PolarHBondContact O-N 2.99Å; H262-C266 PolarHBondContact O-SG 2.89Å; H262-C266 VanDerWaalsContact O-SG 3.34Å; M263-C266 HydrophobicContact CE-CB 3.6Å; M263-C266 PolarHBondContact O-N 3.04Å; M263-C266 HydrophobicContact SD-CB 3.79Å; C266-M268 VanDerWaalsContact C-N 3.34Å; C266-A269 WeakPolarHBondContact O-CB 3.32Å; C266-A269 PolarHBondContact O-N 3.1Å; C266-A269 VanDerWaalsContact O-N 3.17Å; C266-I270 PolarHBondContact O-N 2.96Å |
| 267 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -33.4 | 177.4 | -167.1 | 61 | 0 | 0 | 0 | 111.6 | L253 L257 M263 A269 I270 V271 L287 I291 F312 | L253-L267 HydrophobicContact CB-CD1 3.84Å; L253-L267 HydrophobicContact CD1-CD1 3.78Å; L253-L267 HydrophobicContact CD2-CD1 4.12Å; L253-L267 HydrophobicContact CG-CD1 4.12Å; L257-L267 HydrophobicContact CB-CD2 4.26Å; L257-L267 HydrophobicContact CD2-CD2 3.89Å; M263-L267 HydrophobicContact CE-CB 4.48Å; M263-L267 WeakPolarHBondContact O-CA 3.4Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.07Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.35Å; L267-I270 HydrophobicContact CD1-CB 4.24Å; L267-I270 HydrophobicContact CD1-CD1 3.94Å; L267-I270 HydrophobicContact CD1-CG2 4.44Å; L267-I270 WeakPolarHBondContact O-CB 3.47Å; L267-I270 PolarHBondContact O-N 2.91Å; L267-V271 WeakPolarHBondContact O-CG2 3Å; L267-V271 PolarHBondContact O-N 3.34Å; L267-L287 HydrophobicContact CD1-CD2 3.9Å; L267-L287 HydrophobicContact CD2-CD2 4.32Å; L267-L287 HydrophobicContact CG-CD2 4.28Å; L267-I291 HydrophobicContact CD2-CD1 4.12Å; L267-F312 HydrophobicContact CB-CD2 4.18Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.31Å; L267-F312 HydrophobicContact CD2-CD1 4.39Å; L267-F312 HydrophobicContact CD2-CD2 4.18Å; L267-F312 HydrophobicContact CD2-CE1 3.91Å; L267-F312 HydrophobicContact CD2-CE2 3.67Å; L267-F312 HydrophobicContact CD2-CZ 3.51Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.55Å; L267-F312 HydrophobicContact CG-CZ 3.64Å |
| 268 | M | 96.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 170.1 | -80.1 | -57.6 | -57.3 | 0 | 0 | 112.4 | V264 T265 C266 V271 R272 F312 E315 V316 T319 Y320 | V264-M268 WeakPolarHBondContact O-CB 3.45Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.36Å; V264-M268 PolarHBondContact O-N 3.06Å; V264-M268 VanDerWaalsContact O-N 3.13Å; T265-M268 PolarHBondContact O-N 3.41Å; C266-M268 VanDerWaalsContact C-N 3.34Å; M268-V271 PolarHBondContact O-N 3Å; M268-R272 WeakPolarHBondContact O-CB 3.4Å; M268-R272 PolarHBondContact O-N 3.45Å; M268-F312 HydrophobicContact CG-CD2 3.96Å; M268-F312 HydrophobicContact CG-CE2 3.94Å; M268-F312 HydrophobicContact SD-CD2 4.05Å; M268-F312 HydrophobicContact SD-CE2 3.72Å; M268-E315 HydrophobicContact CE-CB 4.5Å; M268-E315 HydrophobicContact CE-CG 4.01Å; M268-E315 HydrophobicContact CG-CB 4.1Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.06Å; M268-E315 HydrophobicContact SD-CG 4.05Å; M268-V316 HydrophobicContact CE-CG2 4.45Å; M268-V316 HydrophobicContact SD-CB 4.35Å; M268-V316 HydrophobicContact SD-CG2 3.43Å; M268-V316 WeakPolarHBondContact SD-CG2 3.18Å; M268-T319 HydrophobicContact CE-CG2 4.48Å; M268-Y320 HydrophobicContact CE-CE2 4.49Å |
| 269 | A | 95.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 T265 C266 L267 S273 | I233-A269 HydrophobicContact CD1-CB 4.18Å; T265-A269 PolarHBondContact O-N 2.92Å; T265-A269 VanDerWaalsContact O-N 3.16Å; C266-A269 WeakPolarHBondContact O-CB 3.32Å; C266-A269 PolarHBondContact O-N 3.1Å; C266-A269 VanDerWaalsContact O-N 3.17Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.35Å; A269-S273 PolarHBondContact O-N 2.91Å; A269-S273 VanDerWaalsContact O-N 3.07Å |
| 270 | I | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 173.4 | -66.4 | 164.1 | 0 | 0 | 0 | 110.3 | L217 I233 L253 C266 L267 R272 S273 F274 | L217-I270 HydrophobicContact CD1-CD1 4.3Å; I233-I270 HydrophobicContact CD1-CG1 4.26Å; I233-I270 HydrophobicContact CG1-CB 4.44Å; I233-I270 HydrophobicContact CG1-CG1 3.66Å; L253-I270 HydrophobicContact CD1-CD1 4.42Å; L253-I270 HydrophobicContact CD1-CG2 4.23Å; L253-I270 HydrophobicContact CD2-CD1 3.85Å; C266-I270 PolarHBondContact O-N 2.96Å; L267-I270 HydrophobicContact CD1-CB 4.24Å; L267-I270 HydrophobicContact CD1-CD1 3.94Å; L267-I270 HydrophobicContact CD1-CG2 4.44Å; L267-I270 WeakPolarHBondContact O-CB 3.47Å; L267-I270 PolarHBondContact O-N 2.91Å; I270-R272 PolarHBondContact O-N 3.23Å; I270-S273 PolarHBondContact O-N 3.23Å; I270-F274 HydrophobicContact CG2-CD1 4.14Å; I270-F274 HydrophobicContact CG2-CD2 4.21Å; I270-F274 HydrophobicContact CG2-CE1 3.95Å; 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 3.41Å; I270-F274 WeakPolarHBondContact O-CG 3.34Å; I270-F274 PolarHBondContact O-N 3.49Å |
| 271 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 179 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | L267 M268 S273 F274 I275 V284 L287 F312 Y320 | L267-V271 WeakPolarHBondContact O-CG2 3Å; L267-V271 PolarHBondContact O-N 3.34Å; M268-V271 PolarHBondContact O-N 3Å; V271-S273 PolarHBondContact O-N 3.37Å; V271-F274 PolarHBondContact O-N 2.86Å; V271-I275 HydrophobicContact CG1-CD1 3.73Å; V271-I275 HydrophobicContact CG1-CG1 4.4Å; V271-I275 WeakPolarHBondContact O-CG1 3.16Å; V271-I275 PolarHBondContact O-N 3.01Å; V271-V284 HydrophobicContact CG1-CG1 3.81Å; V271-V284 HydrophobicContact CG1-CG2 4.49Å; V271-V284 HydrophobicContact CG2-CG1 4.16Å; V271-L287 HydrophobicContact CG2-CD2 4.12Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.96Å; V271-Y320 HydrophobicContact CG1-CD2 4.32Å; V271-Y320 HydrophobicContact CG1-CE2 4.05Å |
| 272 | R | 96.2 | Very high | 94.6 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.4 | -52.5 | 177.4 | 175.9 | 173 | -76.7 | 137.7 | -1.2 | 111.3 | M268 I270 F274 I275 E276 Y320 | M268-R272 WeakPolarHBondContact O-CB 3.4Å; M268-R272 PolarHBondContact O-N 3.45Å; I270-R272 PolarHBondContact O-N 3.23Å; R272-F274 VanDerWaalsContact C-N 3.33Å; R272-F274 PolarHBondContact O-N 3.46Å; R272-I275 PolarHBondContact O-N 3.34Å; R272-E276 HydrophobicContact CG-CG 4.43Å; R272-E276 WeakPolarHBondContact CG-OE2 3.2Å; R272-E276 IonicContact NE-OE1 2.76Å; R272-E276 WeakPolarHBondContact O-CB 3.41Å; R272-E276 PolarHBondContact O-N 3.43Å; R272-Y320 WeakPolarHBondContact CA-OH 3.4Å; R272-Y320 WeakPolarHBondContact CB-OH 3.14Å; R272-Y320 WeakPolarHBondContact CG-OH 3.47Å |
| 273 | S | 94.8 | Very high | 94.5 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 179.8 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | I233 A269 I270 V271 I275 D277 E278 | I233-S273 WeakPolarHBondContact CG2-OG 3.31Å; A269-S273 PolarHBondContact O-N 2.91Å; A269-S273 VanDerWaalsContact O-N 3.07Å; I270-S273 PolarHBondContact O-N 3.23Å; V271-S273 PolarHBondContact O-N 3.37Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.18Å; S273-D277 WeakPolarHBondContact CA-OD2 3.43Å; S273-D277 WeakPolarHBondContact CB-OD2 3.43Å; S273-D277 WeakPolarHBondContact O-CA 3.17Å; S273-D277 WeakPolarHBondContact O-CB 3.43Å; S273-D277 PolarHBondContact O-N 3.07Å; S273-D277 PolarHBondContact OG-OD2 3.37Å; S273-E278 PolarHBondContact O-N 2.9Å |
| 274 | F | 96.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | 176.5 | -82.3 | 20.4 | 0 | 0 | 0 | 112.5 | L236 A237 I270 V271 R272 K279 L280 V283 V284 | L236-F274 HydrophobicContact CB-CZ 4.24Å; A237-F274 HydrophobicContact CB-CD1 4.47Å; A237-F274 HydrophobicContact CB-CE1 3.89Å; I270-F274 HydrophobicContact CG2-CD1 4.14Å; I270-F274 HydrophobicContact CG2-CD2 4.21Å; I270-F274 HydrophobicContact CG2-CE1 3.95Å; 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 3.41Å; I270-F274 WeakPolarHBondContact O-CG 3.34Å; I270-F274 PolarHBondContact O-N 3.49Å; V271-F274 PolarHBondContact O-N 2.86Å; R272-F274 VanDerWaalsContact C-N 3.33Å; R272-F274 PolarHBondContact O-N 3.46Å; F274-K279 CarbonylContact O-C 3.54Å; F274-K279 PolarHBondContact O-N 3.14Å; F274-K279 VanDerWaalsContact O-N 3.09Å; F274-L280 HydrophobicContact CB-CB 4.3Å; F274-L280 HydrophobicContact CD1-CD1 4.44Å; 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 3.25Å; F274-V283 HydrophobicContact CD2-CG1 4.37Å; F274-V283 HydrophobicContact CE2-CG1 4.23Å; F274-V284 HydrophobicContact CB-CG2 3.7Å; F274-V284 HydrophobicContact CD2-CG2 4.28Å |
| 275 | I | 94.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79 | -53.7 | 178.2 | -65.7 | 174.6 | 0 | 0 | 0 | 111 | V271 R272 S273 I281 V284 Y320 L323 | V271-I275 HydrophobicContact CG1-CD1 3.73Å; V271-I275 HydrophobicContact CG1-CG1 4.4Å; V271-I275 WeakPolarHBondContact O-CG1 3.16Å; V271-I275 PolarHBondContact O-N 3.01Å; R272-I275 PolarHBondContact O-N 3.34Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.18Å; I275-I281 HydrophobicContact CG1-CG1 4.43Å; I275-I281 HydrophobicContact CG2-CG1 4.31Å; I275-V284 HydrophobicContact CD1-CG1 4.3Å; I275-V284 HydrophobicContact CG1-CG2 3.98Å; I275-Y320 HydrophobicContact CD1-CD1 4.14Å; I275-Y320 HydrophobicContact CD1-CD2 3.9Å; I275-Y320 HydrophobicContact CD1-CE1 4.15Å; I275-Y320 HydrophobicContact CD1-CE2 3.91Å; I275-Y320 HydrophobicContact CD1-CG 4.03Å; I275-Y320 HydrophobicContact CG2-CE1 4.25Å; I275-L323 HydrophobicContact CD1-CD2 3.87Å |
| 276 | E | 93.7 | Very high | 94.1 | Very high | 107 Ų | 107 | 48.7 Ų | 48.7 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -82.5 | -46.1 | -166.7 | -66.4 | 172.4 | -164.8 | 0 | 0 | 112.4 | R272 Y320 | R272-E276 HydrophobicContact CG-CG 4.43Å; R272-E276 WeakPolarHBondContact CG-OE2 3.2Å; R272-E276 IonicContact NE-OE1 2.76Å; R272-E276 WeakPolarHBondContact O-CB 3.41Å; R272-E276 PolarHBondContact O-N 3.43Å; E276-Y320 PolarHBondContact OE1-OH 3.46Å |
| 277 | D | 92.3 | Very high | 94.1 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -46.6 | -175.4 | -53.7 | -44.1 | 0 | 0 | 0 | 111.5 | S273 | S273-D277 WeakPolarHBondContact CA-OD2 3.43Å; S273-D277 WeakPolarHBondContact CB-OD2 3.43Å; S273-D277 WeakPolarHBondContact O-CA 3.17Å; S273-D277 WeakPolarHBondContact O-CB 3.43Å; S273-D277 PolarHBondContact O-N 3.07Å; S273-D277 PolarHBondContact OG-OD2 3.37Å |
| 278 | E | 90.7 | Very high | 94 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -99.9 | -11.4 | -165.1 | -60.8 | -67.1 | 162.5 | 0 | 0 | 113.6 | A237 R241 S273 L280 | A237-E278 HydrophobicContact CB-CB 4.49Å; A237-E278 HydrophobicContact CB-CG 3.72Å; R241-E278 IonicContact CZ-OE2 4Å; R241-E278 IonicContact NH1-OE2 2.64Å; R241-E278 PolarHBondContact NH1-OE2 3.46Å; R241-E278 PolarHBondContact NH2-O 3.43Å; R241-E278 IonicContact NH2-OE2 3.11Å; R241-E278 PolarHBondContact NH2-OE2 3.08Å; S273-E278 PolarHBondContact O-N 2.9Å; E278-L280 VanDerWaalsContact C-N 3.25Å; E278-L280 HydrophobicContact CB-CD1 3.96Å; E278-L280 HydrophobicContact CB-CG 3.96Å; E278-L280 PolarHBondContact O-N 3.32Å |
| 279 | K | 91.1 | Very high | 93.8 | Very high | 174 Ų | 174 | 54.1 Ų | 54.1 | 76% | 0.757 | 26% | 0.262 | S | S | * | . | trans | 56.2 | 31.5 | -179.4 | -56.1 | -179.5 | -179.6 | 178.1 | 0 | 114.6 | F274 I281 | F274-K279 CarbonylContact O-C 3.54Å; F274-K279 PolarHBondContact O-N 3.14Å; F274-K279 VanDerWaalsContact O-N 3.09Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.35Å | ||
| 280 | L | 92.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | trans | -91.7 | 45.1 | -179.2 | -62 | 176.6 | 0 | 0 | 0 | 112.8 | A237 V240 F274 E278 S282 V283 V284 | A237-L280 HydrophobicContact CB-CD1 4.39Å; V240-L280 HydrophobicContact CG1-CD1 4.13Å; F274-L280 HydrophobicContact CB-CB 4.3Å; F274-L280 HydrophobicContact CD1-CD1 4.44Å; 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 3.25Å; E278-L280 VanDerWaalsContact C-N 3.25Å; E278-L280 HydrophobicContact CB-CD1 3.96Å; E278-L280 HydrophobicContact CB-CG 3.96Å; E278-L280 PolarHBondContact O-N 3.32Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.11Å; L280-V283 HydrophobicContact CB-CB 4.21Å; L280-V283 HydrophobicContact CB-CG2 4.11Å; L280-V283 HydrophobicContact CD2-CG2 4.45Å; L280-V283 WeakPolarHBondContact O-CB 3.41Å; L280-V283 PolarHBondContact O-N 3.47Å; L280-V283 VanDerWaalsContact O-N 3.08Å; L280-V284 PolarHBondContact O-N 2.74Å | ||
| 281 | I | 91.5 | Very high | 93.6 | Very high | 76 Ų | 76 | 55.7 Ų | 55.7 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | -175.9 | -63 | 168.2 | 0 | 0 | 0 | 112.3 | I275 K279 V283 V284 R285 | I275-I281 HydrophobicContact CG1-CG1 4.43Å; I275-I281 HydrophobicContact CG2-CG1 4.31Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.35Å; I281-V283 VanDerWaalsContact C-N 3.3Å; I281-V283 PolarHBondContact O-N 2.79Å; I281-V284 PolarHBondContact O-N 3.31Å; I281-R285 WeakPolarHBondContact O-CG 3.47Å; I281-R285 PolarHBondContact O-N 3.24Å |
| 282 | S | 90.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.9 | -37.9 | 176.7 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L280 R285 E286 | L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.11Å; S282-R285 PolarHBondContact O-N 3.46Å; S282-E286 PolarHBondContact O-N 3.28Å |
| 283 | V | 92.9 | Very high | 93 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | V240 F274 L280 I281 R285 E286 L287 | V240-V283 HydrophobicContact CG1-CG1 4.13Å; V240-V283 HydrophobicContact CG1-CG2 3.71Å; F274-V283 HydrophobicContact CD2-CG1 4.37Å; F274-V283 HydrophobicContact CE2-CG1 4.23Å; L280-V283 HydrophobicContact CB-CB 4.21Å; L280-V283 HydrophobicContact CB-CG2 4.11Å; L280-V283 HydrophobicContact CD2-CG2 4.45Å; L280-V283 WeakPolarHBondContact O-CB 3.41Å; L280-V283 PolarHBondContact O-N 3.47Å; L280-V283 VanDerWaalsContact O-N 3.08Å; I281-V283 VanDerWaalsContact C-N 3.3Å; I281-V283 PolarHBondContact O-N 2.79Å; V283-R285 VanDerWaalsContact C-N 3.3Å; V283-R285 PolarHBondContact O-N 3.28Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 3.17Å; V283-E286 VanDerWaalsContact O-N 3.14Å; V283-L287 PolarHBondContact O-N 2.85Å |
| 284 | V | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V271 F274 I275 L280 I281 E286 L287 L288 L323 | V271-V284 HydrophobicContact CG1-CG1 3.81Å; V271-V284 HydrophobicContact CG1-CG2 4.49Å; V271-V284 HydrophobicContact CG2-CG1 4.16Å; F274-V284 HydrophobicContact CB-CG2 3.7Å; F274-V284 HydrophobicContact CD2-CG2 4.28Å; I275-V284 HydrophobicContact CD1-CG1 4.3Å; I275-V284 HydrophobicContact CG1-CG2 3.98Å; L280-V284 PolarHBondContact O-N 2.74Å; I281-V284 PolarHBondContact O-N 3.31Å; V284-E286 VanDerWaalsContact C-N 3.3Å; V284-E286 PolarHBondContact O-N 3.34Å; V284-L287 PolarHBondContact O-N 3.34Å; V284-L288 HydrophobicContact CG1-CD1 4.11Å; V284-L288 HydrophobicContact CG1-CG 4.4Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 2.63Å; V284-L323 HydrophobicContact CG1-CD2 3.75Å |
| 285 | R | 92.9 | Very high | 92 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 173.4 | -72.1 | 179.1 | -179.6 | -161 | -0.1 | 112.3 | I281 S282 V283 K289 L323 | I281-R285 WeakPolarHBondContact O-CG 3.47Å; I281-R285 PolarHBondContact O-N 3.24Å; S282-R285 PolarHBondContact O-N 3.46Å; V283-R285 VanDerWaalsContact C-N 3.3Å; V283-R285 PolarHBondContact O-N 3.28Å; R285-K289 WeakPolarHBondContact O-CB 3.43Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.31Å; R285-K289 PolarHBondContact O-N 2.77Å; R285-L323 HydrophobicContact CG-CD1 3.65Å |
| 286 | E | 92.5 | Very high | 91.2 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 174.2 | -173.5 | 171.2 | -152 | 0 | 0 | 111.3 | S246 I247 S282 V283 V284 L288 K289 E290 | S246-E286 WeakPolarHBondContact CB-OE2 3Å; S246-E286 PolarHBondContact OG-OE2 3.46Å; I247-E286 WeakPolarHBondContact CG1-OE1 3.47Å; S282-E286 PolarHBondContact O-N 3.28Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 3.17Å; V283-E286 VanDerWaalsContact O-N 3.14Å; V284-E286 VanDerWaalsContact C-N 3.3Å; V284-E286 PolarHBondContact O-N 3.34Å; E286-L288 PolarHBondContact O-N 3.04Å; E286-K289 WeakPolarHBondContact O-CB 3.3Å; E286-K289 PolarHBondContact O-N 3.29Å; E286-E290 PolarHBondContact O-N 2.69Å |
| 287 | L | 96.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.3 | 172.2 | 64.7 | 0 | 0 | 0 | 112.6 | S250 L253 L267 V271 V283 V284 K289 E290 I291 | S250-L287 WeakPolarHBondContact O-CD1 3.49Å; L253-L287 HydrophobicContact CB-CD1 3.85Å; L253-L287 HydrophobicContact CD1-CD2 4.48Å; L267-L287 HydrophobicContact CD1-CD2 3.9Å; L267-L287 HydrophobicContact CD2-CD2 4.32Å; L267-L287 HydrophobicContact CG-CD2 4.28Å; V271-L287 HydrophobicContact CG2-CD2 4.12Å; V283-L287 PolarHBondContact O-N 2.85Å; V284-L287 PolarHBondContact O-N 3.34Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 2.84Å; L287-E290 WeakPolarHBondContact O-CB 3.35Å; L287-E290 PolarHBondContact O-N 2.81Å; L287-I291 HydrophobicContact CD1-CD1 3.99Å; L287-I291 HydrophobicContact CD1-CG1 4.34Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CG1 3.28Å; L287-I291 PolarHBondContact O-N 3.4Å |
| 288 | L | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 178.8 | -69.2 | 171 | 0 | 0 | 0 | 111.8 | V284 E286 E290 I291 C292 F312 L313 V316 L323 I327 | V284-L288 HydrophobicContact CG1-CD1 4.11Å; V284-L288 HydrophobicContact CG1-CG 4.4Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 2.63Å; E286-L288 PolarHBondContact O-N 3.04Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-I291 PolarHBondContact O-N 3.25Å; L288-C292 WeakPolarHBondContact O-CB 3.48Å; L288-C292 PolarHBondContact O-N 2.71Å; L288-C292 PolarHBondContact O-SG 3.26Å; L288-F312 HydrophobicContact CD2-CE1 3.85Å; L288-L313 HydrophobicContact CD2-CD2 4.12Å; L288-V316 HydrophobicContact CD1-CG1 4.13Å; L288-V316 HydrophobicContact CD2-CG1 4.28Å; L288-V316 HydrophobicContact CD2-CG2 4.28Å; L288-L323 HydrophobicContact CD1-CD1 4.17Å; L288-L323 HydrophobicContact CD1-CD2 3.7Å; L288-L323 HydrophobicContact CD1-CG 3.77Å; L288-I327 HydrophobicContact CB-CG2 3.89Å; L288-I327 HydrophobicContact CD1-CD1 4.38Å; L288-I327 HydrophobicContact CD1-CG2 4Å |
| 289 | K | 92.7 | Very high | 89.3 | Confident | 130 Ų | 130 | 52.5 Ų | 52.5 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 172.2 | -79.7 | 171.6 | 179.1 | -173.5 | 0 | 111.5 | R285 E286 L287 C292 S293 L330 | R285-K289 WeakPolarHBondContact O-CB 3.43Å; R285-K289 VanDerWaalsContact O-CG 3.22Å; R285-K289 WeakPolarHBondContact O-CG 3.31Å; R285-K289 PolarHBondContact O-N 2.77Å; E286-K289 WeakPolarHBondContact O-CB 3.3Å; E286-K289 PolarHBondContact O-N 3.29Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 2.84Å; K289-C292 CarbonylContact O-C 3.6Å; K289-C292 PolarHBondContact O-N 2.79Å; K289-S293 WeakPolarHBondContact O-CB 3.21Å; K289-S293 PolarHBondContact O-N 2.99Å; K289-L330 HydrophobicContact CB-CD1 4.46Å; K289-L330 HydrophobicContact CG-CD1 3.61Å |
| 290 | E | 94.7 | Very high | 88.4 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.5 | -175.7 | 59.9 | -163.1 | 0 | 0 | 111.3 | V251 A254 E286 L287 L288 C292 S293 Y294 | V251-E290 HydrophobicContact CG2-CG 4.33Å; A254-E290 HydrophobicContact CB-CG 3.89Å; E286-E290 PolarHBondContact O-N 2.69Å; L287-E290 WeakPolarHBondContact O-CB 3.35Å; L287-E290 PolarHBondContact O-N 2.81Å; L288-E290 VanDerWaalsContact C-N 3.31Å; E290-C292 VanDerWaalsContact C-N 3.29Å; E290-C292 PolarHBondContact O-N 3.24Å; E290-S293 WeakPolarHBondContact O-CB 3.46Å; E290-S293 PolarHBondContact O-N 3.39Å; E290-S293 VanDerWaalsContact O-N 3.07Å; E290-S293 PolarHBondContact O-OG 3.08Å; E290-Y294 WeakPolarHBondContact O-CD2 3.22Å |
| 291 | I | 93.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.4 | -67.1 | 166.1 | 0 | 0 | 0 | 111 | A254 L257 L267 L287 L288 S293 F309 F312 L313 | A254-I291 HydrophobicContact CB-CG1 3.89Å; L257-I291 HydrophobicContact CD2-CD1 3.91Å; L257-I291 HydrophobicContact CD2-CG1 4.46Å; L267-I291 HydrophobicContact CD2-CD1 4.12Å; L287-I291 HydrophobicContact CD1-CD1 3.99Å; L287-I291 HydrophobicContact CD1-CG1 4.34Å; L287-I291 HydrophobicContact CG-CD1 4.06Å; L287-I291 WeakPolarHBondContact O-CG1 3.28Å; L287-I291 PolarHBondContact O-N 3.4Å; L288-I291 PolarHBondContact O-N 3.25Å; I291-S293 PolarHBondContact O-N 2.95Å; I291-F309 HydrophobicContact CG2-CB 4.47Å; I291-F309 HydrophobicContact CG2-CD1 3.9Å; I291-F309 HydrophobicContact CG2-CE1 4.24Å; I291-F309 HydrophobicContact CG2-CG 4.12Å; I291-F312 HydrophobicContact CD1-CD1 3.8Å; I291-F312 HydrophobicContact CD1-CE1 3.39Å; I291-F312 HydrophobicContact CD1-CZ 4.33Å; I291-L313 HydrophobicContact CG2-CD2 4.35Å |
| 292 | C | 90.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.7 | -13.7 | 178 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | L288 K289 E290 L330 L331 R334 | L288-C292 WeakPolarHBondContact O-CB 3.48Å; L288-C292 PolarHBondContact O-N 2.71Å; L288-C292 PolarHBondContact O-SG 3.26Å; K289-C292 CarbonylContact O-C 3.6Å; K289-C292 PolarHBondContact O-N 2.79Å; E290-C292 VanDerWaalsContact C-N 3.29Å; E290-C292 PolarHBondContact O-N 3.24Å; C292-L330 HydrophobicContact CB-CB 4.19Å; C292-L331 HydrophobicContact CB-CD2 4.39Å; C292-L331 VanDerWaalsContact SG-CD2 3.56Å; C292-R334 PolarHBondContact O-NH2 3.25Å |
| 293 | S | 88.9 | Confident | 87.4 | Confident | 71 Ų | 71 | 58 Ų | 58 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -82.3 | -15.9 | -178 | 82.2 | 0 | 0 | 0 | 0 | 113.2 | K289 E290 I291 N295 | K289-S293 WeakPolarHBondContact O-CB 3.21Å; K289-S293 PolarHBondContact O-N 2.99Å; E290-S293 WeakPolarHBondContact O-CB 3.46Å; E290-S293 PolarHBondContact O-N 3.39Å; E290-S293 VanDerWaalsContact O-N 3.07Å; E290-S293 PolarHBondContact O-OG 3.08Å; I291-S293 PolarHBondContact O-N 2.95Å; S293-N295 PolarHBondContact O-N 3.16Å |
| 294 | Y | 88.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -59.4 | 126.5 | -179.3 | -86 | -112 | 0 | 0 | 0 | 111.9 | A254 Q258 E290 G296 F309 R334 | A254-Y294 HydrophobicContact CB-CE2 3.88Å; Q258-Y294 HydrophobicContact CG-CE1 4.4Å; E290-Y294 WeakPolarHBondContact O-CD2 3.22Å; Y294-G296 PolarHBondContact O-N 3.08Å; Y294-F309 AromaticContact CD1-CE2 3.65Å; Y294-F309 HydrophobicContact CD1-CE2 3.65Å; Y294-F309 AromaticContact CD1-CZ 3.91Å; Y294-F309 HydrophobicContact CD1-CZ 3.91Å; Y294-F309 HydrophobicContact CD2-CE2 4.18Å; Y294-F309 HydrophobicContact CD2-CZ 4.17Å; Y294-F309 HydrophobicContact CE1-CE2 4.19Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.26Å; Y294-F309 AromaticContact CG-CE2 3.64Å; Y294-F309 HydrophobicContact CG-CE2 3.64Å; Y294-F309 HydrophobicContact CG-CZ 4.01Å; Y294-R334 VanDerWaalsContact O-CZ 3.28Å; Y294-R334 PolarHBondContact O-NH1 2.99Å; Y294-R334 VanDerWaalsContact O-NH1 3.11Å; Y294-R334 PolarHBondContact O-NH2 3.25Å |
| 295 | N | 82.8 | Confident | 87 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | trans | -60.8 | 131.4 | -175.8 | 179.9 | 17.7 | 0 | 0 | 0 | 112.3 | S293 A297 D298 L299 | S293-N295 PolarHBondContact O-N 3.16Å; N295-A297 VanDerWaalsContact C-N 3.3Å; N295-A297 PolarHBondContact O-N 3.18Å; N295-A297 PolarHBondContact OD1-N 3Å; N295-D298 HydrophobicContact CB-CB 4.34Å; N295-D298 VanDerWaalsContact CB-OD2 3.31Å; N295-D298 WeakPolarHBondContact CB-OD2 3.43Å; N295-D298 PolarHBondContact ND2-OD2 3.04Å; N295-D298 PolarHBondContact O-N 3.17Å; N295-D298 VanDerWaalsContact O-N 3.15Å; N295-L299 PolarHBondContact O-N 3.09Å; N295-L299 VanDerWaalsContact O-N 3.14Å | ||
| 296 | G | 76.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y294 D298 L299 E300 E337 | Y294-G296 PolarHBondContact O-N 3.08Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 PolarHBondContact O-N 3.28Å; G296-L299 PolarHBondContact O-N 3.32Å; G296-E300 PolarHBondContact O-N 2.73Å; G296-E337 WeakPolarHBondContact CA-OE1 3.42Å |
| 297 | A | 77.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.8 | -27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N295 | N295-A297 VanDerWaalsContact C-N 3.3Å; N295-A297 PolarHBondContact O-N 3.18Å; N295-A297 PolarHBondContact OD1-N 3Å |
| 298 | D | 80 | Confident | 86.6 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -80.2 | -36.6 | 176 | -65.6 | -42.1 | 0 | 0 | 0 | 110.6 | N295 G296 E300 R301 D302 | N295-D298 HydrophobicContact CB-CB 4.34Å; N295-D298 VanDerWaalsContact CB-OD2 3.31Å; N295-D298 WeakPolarHBondContact CB-OD2 3.43Å; N295-D298 PolarHBondContact ND2-OD2 3.04Å; N295-D298 PolarHBondContact O-N 3.17Å; N295-D298 VanDerWaalsContact O-N 3.15Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 PolarHBondContact O-N 3.28Å; D298-E300 VanDerWaalsContact C-N 3.32Å; D298-E300 PolarHBondContact O-N 3.4Å; D298-R301 PolarHBondContact O-N 3.05Å; D298-D302 PolarHBondContact O-N 3.29Å |
| 299 | L | 79.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 173 | -70.4 | 175.3 | 0 | 0 | 0 | 112.6 | N295 G296 R301 D302 A305 S306 F309 | N295-L299 PolarHBondContact O-N 3.09Å; N295-L299 VanDerWaalsContact O-N 3.14Å; G296-L299 PolarHBondContact O-N 3.32Å; L299-R301 PolarHBondContact O-N 3.09Å; L299-D302 CarbonylContact O-C 3.59Å; L299-D302 PolarHBondContact O-N 2.87Å; L299-A305 HydrophobicContact CD2-CB 3.76Å; L299-S306 WeakPolarHBondContact CB-OG 3.48Å; L299-S306 PolarHBondContact O-OG 3.48Å; L299-F309 HydrophobicContact CD1-CD2 3.94Å; L299-F309 HydrophobicContact CD1-CE2 4.34Å; L299-F309 HydrophobicContact CD2-CD2 3.53Å; L299-F309 HydrophobicContact CD2-CE2 3.55Å; L299-F309 HydrophobicContact CG-CD2 4.4Å |
| 300 | E | 73.5 | Confident | 86.4 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -55.9 | -36.6 | 174.1 | -178.1 | 176.9 | -173.5 | 0 | 0 | 112.9 | G296 D298 D302 P339 | G296-E300 PolarHBondContact O-N 2.73Å; D298-E300 VanDerWaalsContact C-N 3.32Å; D298-E300 PolarHBondContact O-N 3.4Å; E300-D302 VanDerWaalsContact C-N 3.28Å; E300-D302 PolarHBondContact O-N 3.28Å; E300-P339 HydrophobicContact CB-CG 3.83Å; E300-P339 HydrophobicContact CG-CG 3.8Å |
| 301 | R | 82 | Confident | 86.4 | Confident | 220 Ų | 220 | 52 Ų | 52 | 83% | 0.83 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -77.2 | -16.6 | 177.9 | -64.1 | 178.7 | 177 | -178.7 | -0.2 | 113 | D298 L299 | D298-R301 PolarHBondContact O-N 3.05Å; L299-R301 PolarHBondContact O-N 3.09Å |
| 302 | D | 84 | Confident | 86.6 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | trans | -123.7 | 79.9 | -176.2 | -171.3 | -12.1 | 0 | 0 | 0 | 110.4 | D298 L299 E300 Q304 A305 S306 | D298-D302 PolarHBondContact O-N 3.29Å; L299-D302 CarbonylContact O-C 3.59Å; L299-D302 PolarHBondContact O-N 2.87Å; E300-D302 VanDerWaalsContact C-N 3.28Å; E300-D302 PolarHBondContact O-N 3.28Å; D302-Q304 PolarHBondContact O-N 3.45Å; D302-Q304 VanDerWaalsContact O-N 3.07Å; D302-Q304 PolarHBondContact OD1-N 2.91Å; D302-A305 HydrophobicContact CB-CB 3.93Å; D302-A305 PolarHBondContact O-N 3.06Å; D302-A305 VanDerWaalsContact O-N 3.1Å; D302-A305 PolarHBondContact OD1-N 3.3Å; D302-A305 WeakPolarHBondContact OD2-CB 3.29Å; D302-S306 PolarHBondContact O-N 3.09Å; D302-S306 PolarHBondContact O-OG 3.28Å | ||
| 303 | S | 86.1 | Confident | 86.8 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -55.8 | -28.9 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 113 | Q307 | S303-Q307 WeakPolarHBondContact O-CB 3.28Å; S303-Q307 PolarHBondContact O-N 2.88Å; S303-Q307 VanDerWaalsContact O-N 3.09Å |
| 304 | Q | 89.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 49 Ų | 49 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.9 | -47.5 | 179.2 | -175.4 | 76.8 | -40.5 | 0 | 0 | 110.5 | P261 D302 S306 Q307 N308 | P261-Q304 HydrophobicContact CG-CG 4.33Å; D302-Q304 PolarHBondContact O-N 3.45Å; D302-Q304 VanDerWaalsContact O-N 3.07Å; D302-Q304 PolarHBondContact OD1-N 2.91Å; Q304-S306 VanDerWaalsContact C-N 3.33Å; Q304-S306 PolarHBondContact O-N 2.91Å; Q304-Q307 PolarHBondContact O-N 3.4Å; Q304-N308 WeakPolarHBondContact O-CB 3.43Å; Q304-N308 PolarHBondContact O-N 3.21Å; Q304-N308 PolarHBondContact O-ND2 3.42Å; Q304-N308 PolarHBondContact O-OD1 3.39Å |
| 305 | A | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q258 L299 D302 Q307 N308 F309 | Q258-A305 HydrophobicContact CG-CB 3.55Å; L299-A305 HydrophobicContact CD2-CB 3.76Å; D302-A305 HydrophobicContact CB-CB 3.93Å; D302-A305 PolarHBondContact O-N 3.06Å; D302-A305 VanDerWaalsContact O-N 3.1Å; D302-A305 PolarHBondContact OD1-N 3.3Å; D302-A305 WeakPolarHBondContact OD2-CB 3.29Å; A305-Q307 VanDerWaalsContact C-N 3.33Å; A305-Q307 PolarHBondContact O-N 3.39Å; A305-N308 PolarHBondContact O-N 3.13Å; A305-F309 WeakPolarHBondContact O-CB 3.44Å; A305-F309 WeakPolarHBondContact O-CG 3.49Å; A305-F309 PolarHBondContact O-N 3.2Å |
| 306 | S | 88.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | L299 D302 Q304 S310 | L299-S306 WeakPolarHBondContact CB-OG 3.48Å; L299-S306 PolarHBondContact O-OG 3.48Å; D302-S306 PolarHBondContact O-N 3.09Å; D302-S306 PolarHBondContact O-OG 3.28Å; Q304-S306 VanDerWaalsContact C-N 3.33Å; Q304-S306 PolarHBondContact O-N 2.91Å; S306-S310 WeakPolarHBondContact O-CB 3.36Å; S306-S310 PolarHBondContact O-N 3.42Å |
| 307 | Q | 90.6 | Very high | 89 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -179.9 | -170.1 | 62.8 | 49.9 | 0 | 0 | 111.7 | S303 Q304 A305 S310 N311 | S303-Q307 WeakPolarHBondContact O-CB 3.28Å; S303-Q307 PolarHBondContact O-N 2.88Å; S303-Q307 VanDerWaalsContact O-N 3.09Å; Q304-Q307 PolarHBondContact O-N 3.4Å; A305-Q307 VanDerWaalsContact C-N 3.33Å; A305-Q307 PolarHBondContact O-N 3.39Å; Q307-S310 PolarHBondContact O-N 2.89Å; Q307-N311 PolarHBondContact NE2-ND2 3.17Å; Q307-N311 PolarHBondContact NE2-OD1 2.91Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.45Å; Q307-N311 PolarHBondContact O-N 2.97Å; Q307-N311 PolarHBondContact O-ND2 3.02Å |
| 308 | N | 94.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 178.2 | -66.5 | -16.2 | 0 | 0 | 0 | 111.2 | L257 Q258 P261 V264 Q304 A305 F312 | L257-N308 HydrophobicContact CD1-CB 4.17Å; L257-N308 HydrophobicContact CG-CB 4.44Å; L257-N308 VanDerWaalsContact O-CB 3.26Å; L257-N308 WeakPolarHBondContact O-CB 3.39Å; L257-N308 PolarHBondContact O-ND2 3.48Å; L257-N308 VanDerWaalsContact O-ND2 3.07Å; Q258-N308 PolarHBondContact O-ND2 3.39Å; P261-N308 WeakPolarHBondContact CA-OD1 3.26Å; V264-N308 HydrophobicContact CG2-CB 4.38Å; Q304-N308 WeakPolarHBondContact O-CB 3.43Å; Q304-N308 PolarHBondContact O-N 3.21Å; Q304-N308 PolarHBondContact O-ND2 3.42Å; Q304-N308 PolarHBondContact O-OD1 3.39Å; A305-N308 PolarHBondContact O-N 3.13Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.5Å; N308-F312 PolarHBondContact O-N 3.31Å |
| 309 | F | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.5 | -69.3 | -19.3 | 0 | 0 | 0 | 111.6 | L257 Q258 I291 Y294 L299 A305 F312 L313 | L257-F309 HydrophobicContact CB-CD1 4.4Å; L257-F309 HydrophobicContact CB-CE1 3.99Å; L257-F309 HydrophobicContact CD2-CD1 3.47Å; L257-F309 VanDerWaalsContact CD2-CD1 3.47Å; L257-F309 HydrophobicContact CD2-CE1 3.78Å; L257-F309 HydrophobicContact CG-CD1 3.65Å; L257-F309 HydrophobicContact CG-CE1 3.75Å; Q258-F309 HydrophobicContact CB-CE1 4.3Å; Q258-F309 HydrophobicContact CB-CZ 3.88Å; Q258-F309 HydrophobicContact CG-CZ 4.33Å; I291-F309 HydrophobicContact CG2-CB 4.47Å; I291-F309 HydrophobicContact CG2-CD1 3.9Å; I291-F309 HydrophobicContact CG2-CE1 4.24Å; I291-F309 HydrophobicContact CG2-CG 4.12Å; Y294-F309 AromaticContact CD1-CE2 3.65Å; Y294-F309 HydrophobicContact CD1-CE2 3.65Å; Y294-F309 AromaticContact CD1-CZ 3.91Å; Y294-F309 HydrophobicContact CD1-CZ 3.91Å; Y294-F309 HydrophobicContact CD2-CE2 4.18Å; Y294-F309 HydrophobicContact CD2-CZ 4.17Å; Y294-F309 HydrophobicContact CE1-CE2 4.19Å; Y294-F309 AromaticContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE1-CZ 3.97Å; Y294-F309 HydrophobicContact CE2-CZ 4.26Å; Y294-F309 AromaticContact CG-CE2 3.64Å; Y294-F309 HydrophobicContact CG-CE2 3.64Å; Y294-F309 HydrophobicContact CG-CZ 4.01Å; L299-F309 HydrophobicContact CD1-CD2 3.94Å; L299-F309 HydrophobicContact CD1-CE2 4.34Å; L299-F309 HydrophobicContact CD2-CD2 3.53Å; L299-F309 HydrophobicContact CD2-CE2 3.55Å; L299-F309 HydrophobicContact CG-CD2 4.4Å; A305-F309 WeakPolarHBondContact O-CB 3.44Å; A305-F309 WeakPolarHBondContact O-CG 3.49Å; A305-F309 PolarHBondContact O-N 3.2Å; F309-F312 PolarHBondContact O-N 3.43Å; F309-L313 WeakPolarHBondContact O-CB 3.27Å; F309-L313 VanDerWaalsContact O-CG 3.22Å; F309-L313 WeakPolarHBondContact O-CG 3.48Å; F309-L313 PolarHBondContact O-N 2.83Å |
| 310 | S | 91.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | S306 Q307 F312 L313 L314 C345 | S306-S310 WeakPolarHBondContact O-CB 3.36Å; S306-S310 PolarHBondContact O-N 3.42Å; Q307-S310 PolarHBondContact O-N 2.89Å; S310-F312 VanDerWaalsContact C-N 3.33Å; S310-F312 PolarHBondContact O-N 3.47Å; S310-L313 PolarHBondContact O-N 3.21Å; S310-L314 WeakPolarHBondContact O-CB 3.38Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.35Å; S310-L314 PolarHBondContact O-N 3.16Å; S310-C345 VanDerWaalsContact CA-SG 3.52Å; S310-C345 VanDerWaalsContact OG-CB 3.24Å; S310-C345 WeakPolarHBondContact OG-CB 3.42Å |
| 311 | N | 94.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 179.4 | -73.4 | -19.6 | 0 | 0 | 0 | 111.7 | V264 Q307 E315 | V264-N311 HydrophobicContact CG1-CB 4.11Å; V264-N311 HydrophobicContact CG2-CB 4.16Å; Q307-N311 PolarHBondContact NE2-ND2 3.17Å; Q307-N311 PolarHBondContact NE2-OD1 2.91Å; Q307-N311 VanDerWaalsContact O-CB 3.29Å; Q307-N311 WeakPolarHBondContact O-CB 3.45Å; Q307-N311 PolarHBondContact O-N 2.97Å; Q307-N311 PolarHBondContact O-ND2 3.02Å; N311-E315 WeakPolarHBondContact O-CB 3.36Å; N311-E315 PolarHBondContact O-N 3.44Å |
| 312 | F | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 178.3 | 176.8 | -104.3 | 0 | 0 | 0 | 112.3 | L257 V264 L267 M268 V271 L288 I291 N308 F309 S310 L314 E315 V316 | L257-F312 HydrophobicContact CD1-CB 4.13Å; L257-F312 HydrophobicContact CD1-CG 4.46Å; L257-F312 HydrophobicContact CD2-CB 3.76Å; L257-F312 HydrophobicContact CD2-CD1 3.61Å; L257-F312 HydrophobicContact CD2-CD2 4.43Å; L257-F312 HydrophobicContact CD2-CE1 4.33Å; L257-F312 HydrophobicContact CD2-CG 3.66Å; V264-F312 HydrophobicContact CG1-CB 4.26Å; V264-F312 HydrophobicContact CG2-CB 4.4Å; L267-F312 HydrophobicContact CB-CD2 4.18Å; L267-F312 HydrophobicContact CB-CE2 3.69Å; L267-F312 HydrophobicContact CB-CZ 4.31Å; L267-F312 HydrophobicContact CD2-CD1 4.39Å; L267-F312 HydrophobicContact CD2-CD2 4.18Å; L267-F312 HydrophobicContact CD2-CE1 3.91Å; L267-F312 HydrophobicContact CD2-CE2 3.67Å; L267-F312 HydrophobicContact CD2-CZ 3.51Å; L267-F312 HydrophobicContact CG-CD2 4.35Å; L267-F312 HydrophobicContact CG-CE2 3.55Å; L267-F312 HydrophobicContact CG-CZ 3.64Å; M268-F312 HydrophobicContact CG-CD2 3.96Å; M268-F312 HydrophobicContact CG-CE2 3.94Å; M268-F312 HydrophobicContact SD-CD2 4.05Å; M268-F312 HydrophobicContact SD-CE2 3.72Å; V271-F312 HydrophobicContact CG2-CE2 4.43Å; V271-F312 HydrophobicContact CG2-CZ 3.96Å; L288-F312 HydrophobicContact CD2-CE1 3.85Å; I291-F312 HydrophobicContact CD1-CD1 3.8Å; I291-F312 HydrophobicContact CD1-CE1 3.39Å; I291-F312 HydrophobicContact CD1-CZ 4.33Å; N308-F312 VanDerWaalsContact O-CB 3.28Å; N308-F312 WeakPolarHBondContact O-CB 3.5Å; N308-F312 PolarHBondContact O-N 3.31Å; F309-F312 PolarHBondContact O-N 3.43Å; S310-F312 VanDerWaalsContact C-N 3.33Å; S310-F312 PolarHBondContact O-N 3.47Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 3.39Å; F312-E315 PolarHBondContact O-N 3.07Å; F312-V316 HydrophobicContact CD1-CG2 4.29Å; F312-V316 HydrophobicContact CD2-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 3.84Å; F312-V316 HydrophobicContact CE2-CG2 3.94Å; F312-V316 HydrophobicContact CZ-CG2 3.65Å; F312-V316 WeakPolarHBondContact O-CG2 3.35Å; F312-V316 PolarHBondContact O-N 2.84Å |
| 313 | L | 95 | Very high | 93 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 179.2 | -70.4 | 173.1 | 0 | 0 | 0 | 112.1 | L288 I291 F309 S310 A317 I327 L331 | L288-L313 HydrophobicContact CD2-CD2 4.12Å; I291-L313 HydrophobicContact CG2-CD2 4.35Å; F309-L313 WeakPolarHBondContact O-CB 3.27Å; F309-L313 VanDerWaalsContact O-CG 3.22Å; F309-L313 WeakPolarHBondContact O-CG 3.48Å; F309-L313 PolarHBondContact O-N 2.83Å; S310-L313 PolarHBondContact O-N 3.21Å; L313-A317 WeakPolarHBondContact O-CB 3.36Å; L313-A317 PolarHBondContact O-N 3.26Å; L313-I327 HydrophobicContact CD2-CD1 4.12Å; L313-L331 HydrophobicContact CD1-CD2 3.99Å |
| 314 | L | 95.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 174.6 | -72 | 172.6 | 0 | 0 | 0 | 112.1 | S310 F312 A317 R318 C345 G348 V349 | S310-L314 WeakPolarHBondContact O-CB 3.38Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.35Å; S310-L314 PolarHBondContact O-N 3.16Å; F312-L314 VanDerWaalsContact C-N 3.32Å; F312-L314 PolarHBondContact O-N 3.39Å; L314-A317 PolarHBondContact O-N 2.96Å; L314-R318 WeakPolarHBondContact O-CG 3.38Å; L314-R318 PolarHBondContact O-N 2.97Å; L314-C345 WeakPolarHBondContact CD2-O 3.35Å; L314-G348 VanDerWaalsContact CD2-C 3.47Å; L314-V349 HydrophobicContact CD2-CG2 4.11Å |
| 315 | E | 95.7 | Very high | 93.3 | Very high | 73 Ų | 73 | 30.5 Ų | 30.5 | 34% | 0.341 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.1 | -37.3 | 178.3 | -162.8 | 59.8 | -160.6 | 0 | 0 | 112.2 | M268 N311 F312 A317 R318 T319 | M268-E315 HydrophobicContact CE-CB 4.5Å; M268-E315 HydrophobicContact CE-CG 4.01Å; M268-E315 HydrophobicContact CG-CB 4.1Å; M268-E315 HydrophobicContact CG-CG 3.77Å; M268-E315 HydrophobicContact SD-CB 4.06Å; M268-E315 HydrophobicContact SD-CG 4.05Å; N311-E315 WeakPolarHBondContact O-CB 3.36Å; N311-E315 PolarHBondContact O-N 3.44Å; F312-E315 PolarHBondContact O-N 3.07Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-R318 IonicContact OE2-NH1 3.46Å; E315-R318 PolarHBondContact OE2-NH1 3.48Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.26Å; E315-T319 PolarHBondContact O-OG1 2.94Å |
| 316 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 168.9 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | M268 L288 F312 T319 Y320 L323 | M268-V316 HydrophobicContact CE-CG2 4.45Å; M268-V316 HydrophobicContact SD-CB 4.35Å; M268-V316 HydrophobicContact SD-CG2 3.43Å; M268-V316 WeakPolarHBondContact SD-CG2 3.18Å; L288-V316 HydrophobicContact CD1-CG1 4.13Å; L288-V316 HydrophobicContact CD2-CG1 4.28Å; L288-V316 HydrophobicContact CD2-CG2 4.28Å; F312-V316 HydrophobicContact CD1-CG2 4.29Å; F312-V316 HydrophobicContact CD2-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 3.84Å; F312-V316 HydrophobicContact CE2-CG2 3.94Å; F312-V316 HydrophobicContact CZ-CG2 3.65Å; F312-V316 WeakPolarHBondContact O-CG2 3.35Å; F312-V316 PolarHBondContact O-N 2.84Å; V316-T319 PolarHBondContact O-N 3.09Å; V316-Y320 WeakPolarHBondContact O-CA 3.34Å; V316-Y320 PolarHBondContact O-N 3.43Å; V316-L323 HydrophobicContact CG1-CD2 4.31Å |
| 317 | A | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L313 L314 E315 P321 A324 V349 E352 | L313-A317 WeakPolarHBondContact O-CB 3.36Å; L313-A317 PolarHBondContact O-N 3.26Å; L314-A317 PolarHBondContact O-N 2.96Å; E315-A317 VanDerWaalsContact C-N 3.32Å; A317-P321 WeakPolarHBondContact O-CA 3.46Å; A317-P321 WeakPolarHBondContact O-CG 3.49Å; A317-A324 HydrophobicContact CB-CB 3.79Å; A317-V349 HydrophobicContact CB-CB 4.3Å; A317-V349 HydrophobicContact CB-CG1 4.1Å; A317-V349 HydrophobicContact CB-CG2 3.99Å; A317-E352 HydrophobicContact CB-CB 4.03Å; A317-E352 HydrophobicContact CB-CG 4.13Å |
| 318 | R | 95.3 | Very high | 93.3 | Very high | 117 Ų | 117 | 29.5 Ų | 29.5 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.2 | -74.8 | 173.9 | -163.1 | 138.7 | 2.3 | 112.8 | L314 E315 E352 | L314-R318 WeakPolarHBondContact O-CG 3.38Å; L314-R318 PolarHBondContact O-N 2.97Å; E315-R318 IonicContact OE2-NH1 3.46Å; E315-R318 PolarHBondContact OE2-NH1 3.48Å; R318-E352 HydrophobicContact CG-CG 3.8Å; R318-E352 VanDerWaalsContact CG-OE1 3.25Å; R318-E352 WeakPolarHBondContact CG-OE1 3.15Å; R318-E352 IonicContact NE-OE1 2.75Å; R318-E352 PolarHBondContact NE-OE1 3.4Å |
| 319 | T | 95.8 | Very high | 93 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 26% | 0.258 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -82.7 | -39.8 | -172.7 | -50.4 | 0 | 0 | 0 | 0 | 112.4 | M268 E315 V316 | M268-T319 HydrophobicContact CE-CG2 4.48Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 PolarHBondContact O-N 3.26Å; E315-T319 PolarHBondContact O-OG1 2.94Å; V316-T319 PolarHBondContact O-N 3.09Å |
| 320 | Y | 94.7 | Very high | 92.8 | Very high | 26 Ų | 26 | 37 Ų | 37 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | trans | -128.8 | 70.2 | -176.9 | -55.2 | -70.6 | 0 | 0 | 0 | 111.9 | M268 V271 R272 I275 E276 V316 T322 L323 A324 | M268-Y320 HydrophobicContact CE-CE2 4.49Å; V271-Y320 HydrophobicContact CG1-CD2 4.32Å; V271-Y320 HydrophobicContact CG1-CE2 4.05Å; R272-Y320 WeakPolarHBondContact CA-OH 3.4Å; R272-Y320 WeakPolarHBondContact CB-OH 3.14Å; R272-Y320 WeakPolarHBondContact CG-OH 3.47Å; I275-Y320 HydrophobicContact CD1-CD1 4.14Å; I275-Y320 HydrophobicContact CD1-CD2 3.9Å; I275-Y320 HydrophobicContact CD1-CE1 4.15Å; I275-Y320 HydrophobicContact CD1-CE2 3.91Å; I275-Y320 HydrophobicContact CD1-CG 4.03Å; I275-Y320 HydrophobicContact CG2-CE1 4.25Å; E276-Y320 PolarHBondContact OE1-OH 3.46Å; V316-Y320 WeakPolarHBondContact O-CA 3.34Å; V316-Y320 PolarHBondContact O-N 3.43Å; Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 3.22Å; Y320-L323 WeakPolarHBondContact O-CB 3.35Å; Y320-L323 PolarHBondContact O-N 3.28Å; Y320-A324 PolarHBondContact O-N 3.13Å | ||
| 321 | P | 91.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -36 | -176.3 | -27.1 | 34.6 | 0 | 0 | 0 | 114.8 | A317 L323 A324 Q325 M356 | A317-P321 WeakPolarHBondContact O-CA 3.46Å; A317-P321 WeakPolarHBondContact O-CG 3.49Å; P321-L323 VanDerWaalsContact C-N 3.32Å; P321-L323 PolarHBondContact O-N 3.09Å; P321-A324 WeakPolarHBondContact O-CB 3.42Å; P321-A324 PolarHBondContact O-N 3.45Å; P321-Q325 PolarHBondContact O-N 3.49Å; P321-M356 HydrophobicContact CB-CE 4.41Å; P321-M356 HydrophobicContact CB-CG 4.11Å; P321-M356 HydrophobicContact CB-SD 3.33Å; P321-M356 WeakPolarHBondContact CB-SD 3.36Å |
| 322 | T | 90.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 60% | 0.595 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66 | -34.1 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | Y320 M356 | Y320-T322 VanDerWaalsContact C-N 3.3Å; Y320-T322 PolarHBondContact O-N 3.22Å; T322-M356 HydrophobicContact CG2-CE 3.66Å |
| 323 | L | 92 | Very high | 91.7 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72 | -42 | 173.4 | -178.5 | 62.3 | 0 | 0 | 0 | 110.2 | I275 V284 R285 L288 V316 Y320 P321 Q325 S326 I327 | I275-L323 HydrophobicContact CD1-CD2 3.87Å; V284-L323 HydrophobicContact CG1-CD2 3.75Å; R285-L323 HydrophobicContact CG-CD1 3.65Å; L288-L323 HydrophobicContact CD1-CD1 4.17Å; L288-L323 HydrophobicContact CD1-CD2 3.7Å; L288-L323 HydrophobicContact CD1-CG 3.77Å; V316-L323 HydrophobicContact CG1-CD2 4.31Å; Y320-L323 WeakPolarHBondContact O-CB 3.35Å; Y320-L323 PolarHBondContact O-N 3.28Å; P321-L323 VanDerWaalsContact C-N 3.32Å; P321-L323 PolarHBondContact O-N 3.09Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.17Å; L323-S326 WeakPolarHBondContact O-CB 3.35Å; L323-S326 PolarHBondContact O-N 3.03Å; L323-S326 PolarHBondContact O-OG 3.41Å; L323-I327 PolarHBondContact O-N 2.7Å |
| 324 | A | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A317 Y320 P321 S326 I327 L328 V349 I353 | A317-A324 HydrophobicContact CB-CB 3.79Å; Y320-A324 PolarHBondContact O-N 3.13Å; P321-A324 WeakPolarHBondContact O-CB 3.42Å; P321-A324 PolarHBondContact O-N 3.45Å; A324-S326 PolarHBondContact O-N 2.95Å; A324-I327 WeakPolarHBondContact O-CG1 3.35Å; A324-I327 PolarHBondContact O-N 2.72Å; A324-I327 VanDerWaalsContact O-N 3.12Å; A324-L328 PolarHBondContact O-N 2.74Å; A324-V349 HydrophobicContact CB-CG1 4.34Å; A324-I353 HydrophobicContact CB-CD1 3.9Å; A324-I353 HydrophobicContact CB-CG1 3.99Å |
| 325 | Q | 90 | Very high | 90.8 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.4 | -37 | 173.3 | -169.4 | -169.3 | 5.4 | 0 | 0 | 112.3 | P321 L323 I353 | P321-Q325 PolarHBondContact O-N 3.49Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.17Å; Q325-I353 HydrophobicContact CB-CG2 4.48Å |
| 326 | S | 88.4 | Confident | 90.2 | Very high | 49 Ų | 49 | 46 Ų | 46 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.3 | -24.9 | -179.5 | 77.6 | 0 | 0 | 0 | 0 | 114 | L323 A324 | L323-S326 WeakPolarHBondContact O-CB 3.35Å; L323-S326 PolarHBondContact O-N 3.03Å; L323-S326 PolarHBondContact O-OG 3.41Å; A324-S326 PolarHBondContact O-N 2.95Å |
| 327 | I | 89.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -95.6 | -18.7 | 178.8 | 62.8 | 162.1 | 0 | 0 | 0 | 112.8 | L288 L313 L323 A324 P329 L330 L331 | L288-I327 HydrophobicContact CB-CG2 3.89Å; L288-I327 HydrophobicContact CD1-CD1 4.38Å; L288-I327 HydrophobicContact CD1-CG2 4Å; L313-I327 HydrophobicContact CD2-CD1 4.12Å; L323-I327 PolarHBondContact O-N 2.7Å; A324-I327 WeakPolarHBondContact O-CG1 3.35Å; A324-I327 PolarHBondContact O-N 2.72Å; A324-I327 VanDerWaalsContact O-N 3.12Å; I327-P329 VanDerWaalsContact C-N 3.3Å; I327-P329 VanDerWaalsContact O-N 3.16Å; I327-L330 WeakPolarHBondContact O-CA 3.46Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.29Å; I327-L330 PolarHBondContact O-N 2.87Å; I327-L331 HydrophobicContact CD1-CD1 4.19Å; I327-L331 PolarHBondContact O-N 2.94Å |
| 328 | L | 90.6 | Very high | 88.6 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.4 | -41.3 | -178.4 | -177.1 | 63.5 | 0 | 0 | 0 | 113.7 | A324 L330 L331 R332 V346 V349 I350 I353 L374 | A324-L328 PolarHBondContact O-N 2.74Å; L328-L330 PolarHBondContact O-N 2.9Å; L328-L330 VanDerWaalsContact O-N 3.15Å; L328-L331 PolarHBondContact O-N 3.27Å; L328-R332 WeakPolarHBondContact O-CG 3.46Å; L328-R332 PolarHBondContact O-N 2.9Å; L328-R332 VanDerWaalsContact O-N 3.1Å; L328-V346 HydrophobicContact CD1-CG1 4.13Å; L328-V349 HydrophobicContact CD1-CG1 4.27Å; L328-I350 HydrophobicContact CD1-CG1 3.94Å; L328-I350 HydrophobicContact CD2-CG1 4.35Å; L328-I353 HydrophobicContact CB-CD1 4.23Å; L328-I353 HydrophobicContact CD2-CD1 4.05Å; L328-L374 HydrophobicContact CD2-CD2 3.46Å; L328-L374 VanDerWaalsContact CD2-CD2 3.46Å |
| 329 | P | 89.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.3 | -29.7 | 175.1 | -26.7 | 36.3 | 0 | 0 | 0 | 114.7 | I327 | I327-P329 VanDerWaalsContact C-N 3.3Å; I327-P329 VanDerWaalsContact O-N 3.16Å |
| 330 | L | 87.6 | Confident | 87.2 | Confident | 74 Ų | 74 | 52 Ų | 52 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.9 | -25.7 | 177.1 | -54.9 | 172.6 | 0 | 0 | 0 | 112.3 | K289 C292 I327 L328 C333 | K289-L330 HydrophobicContact CB-CD1 4.46Å; K289-L330 HydrophobicContact CG-CD1 3.61Å; C292-L330 HydrophobicContact CB-CB 4.19Å; I327-L330 WeakPolarHBondContact O-CA 3.46Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.29Å; I327-L330 PolarHBondContact O-N 2.87Å; L328-L330 PolarHBondContact O-N 2.9Å; L328-L330 VanDerWaalsContact O-N 3.15Å; L330-C333 PolarHBondContact O-SG 3.14Å; L330-C333 VanDerWaalsContact O-SG 3.4Å |
| 331 | L | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -86.8 | -18.3 | 179 | -67.2 | 178.1 | 0 | 0 | 0 | 112.7 | C292 L313 I327 L328 C333 R334 V346 V349 | C292-L331 HydrophobicContact CB-CD2 4.39Å; C292-L331 VanDerWaalsContact SG-CD2 3.56Å; L313-L331 HydrophobicContact CD1-CD2 3.99Å; I327-L331 HydrophobicContact CD1-CD1 4.19Å; I327-L331 PolarHBondContact O-N 2.94Å; L328-L331 PolarHBondContact O-N 3.27Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.37Å; L331-R334 VanDerWaalsContact O-CB 3.23Å; L331-R334 WeakPolarHBondContact O-CB 3.44Å; L331-R334 VanDerWaalsContact O-CG 3.31Å; L331-R334 WeakPolarHBondContact O-CG 3.48Å; L331-R334 PolarHBondContact O-N 2.95Å; L331-V346 HydrophobicContact CB-CG1 4.25Å; L331-V346 HydrophobicContact CB-CG2 3.91Å; L331-V349 HydrophobicContact CD1-CG1 4.39Å; L331-V349 HydrophobicContact CD1-CG2 4.31Å |
| 332 | R | 85.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 51.4 Ų | 51.4 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -56.9 | -37.7 | -175.2 | -75.3 | -176.5 | 72.9 | 159.4 | 4.4 | 113.7 | L328 R334 L335 | L328-R332 WeakPolarHBondContact O-CG 3.46Å; L328-R332 PolarHBondContact O-N 2.9Å; L328-R332 VanDerWaalsContact O-N 3.1Å; R332-R334 PolarHBondContact O-N 2.62Å; R332-R334 VanDerWaalsContact O-N 3.14Å; R332-L335 WeakPolarHBondContact O-CB 3.15Å; R332-L335 PolarHBondContact O-N 2.73Å; R332-L335 VanDerWaalsContact O-N 3.14Å |
| 333 | C | 84.1 | Confident | 86.6 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -62.5 | -18.4 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | L330 L331 L335 D336 | L330-C333 PolarHBondContact O-SG 3.14Å; L330-C333 VanDerWaalsContact O-SG 3.4Å; L331-C333 VanDerWaalsContact C-N 3.28Å; L331-C333 PolarHBondContact O-N 3.37Å; C333-L335 VanDerWaalsContact C-N 3.33Å; C333-D336 PolarHBondContact O-N 2.66Å |
| 334 | R | 84.8 | Confident | 86.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -79.2 | -15.7 | 178.6 | -47 | -60.2 | 179.5 | 155.3 | 5.4 | 113.3 | C292 Y294 L331 R332 D336 E337 M342 V346 | C292-R334 PolarHBondContact O-NH2 3.25Å; Y294-R334 VanDerWaalsContact O-CZ 3.28Å; Y294-R334 PolarHBondContact O-NH1 2.99Å; Y294-R334 VanDerWaalsContact O-NH1 3.11Å; Y294-R334 PolarHBondContact O-NH2 3.25Å; L331-R334 VanDerWaalsContact O-CB 3.23Å; L331-R334 WeakPolarHBondContact O-CB 3.44Å; L331-R334 VanDerWaalsContact O-CG 3.31Å; L331-R334 WeakPolarHBondContact O-CG 3.48Å; L331-R334 PolarHBondContact O-N 2.95Å; R332-R334 PolarHBondContact O-N 2.62Å; R332-R334 VanDerWaalsContact O-N 3.14Å; R334-D336 PolarHBondContact O-N 3.37Å; R334-E337 WeakPolarHBondContact CD-OE1 3.43Å; R334-E337 VanDerWaalsContact CD-OE2 3.3Å; R334-E337 WeakPolarHBondContact CD-OE2 3.26Å; R334-E337 IonicContact CZ-OE1 2.8Å; R334-E337 IonicContact NE-OE1 3.18Å; R334-E337 IonicContact NH1-OE1 3.96Å; R334-E337 PolarHBondContact NH1-OE1 3.48Å; R334-E337 IonicContact NH1-OE2 2.87Å; R334-E337 PolarHBondContact O-N 3.43Å; R334-M342 HydrophobicContact CG-CE 4.39Å; R334-V346 HydrophobicContact CB-CG2 3.84Å |
| 335 | L | 87.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -68.4 | -22 | 172.7 | -70.3 | 172.5 | 0 | 0 | 0 | 111.9 | R332 C333 R343 V346 L347 I350 L377 | R332-L335 WeakPolarHBondContact O-CB 3.15Å; R332-L335 PolarHBondContact O-N 2.73Å; R332-L335 VanDerWaalsContact O-N 3.14Å; C333-L335 VanDerWaalsContact C-N 3.33Å; L335-R343 WeakPolarHBondContact O-CD 3.12Å; L335-V346 HydrophobicContact CD1-CG1 3.99Å; L335-V346 HydrophobicContact CD2-CB 3.65Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.04Å; L335-V346 HydrophobicContact CG-CG1 3.69Å; L335-L347 HydrophobicContact CD2-CD2 4.22Å; L335-L347 HydrophobicContact CD2-CG 4.19Å; L335-I350 HydrophobicContact CD1-CD1 4.26Å; L335-L377 HydrophobicContact CD1-CD1 4.35Å; L335-L377 HydrophobicContact CD1-CD2 4.21Å |
| 336 | D | 82.4 | Confident | 86.9 | Confident | 140 Ų | 140 | 45.9 Ų | 45.9 | 75% | 0.749 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -93 | -2.1 | 178.6 | -57.3 | -44.1 | 0 | 0 | 0 | 113 | C333 R334 | C333-D336 PolarHBondContact O-N 2.66Å; R334-D336 PolarHBondContact O-N 3.37Å |
| 337 | E | 82.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -81.2 | 148.2 | -178.9 | -68.4 | -179.8 | 170 | 0 | 0 | 111.7 | G296 R334 R343 | G296-E337 WeakPolarHBondContact CA-OE1 3.42Å; R334-E337 WeakPolarHBondContact CD-OE1 3.43Å; R334-E337 VanDerWaalsContact CD-OE2 3.3Å; R334-E337 WeakPolarHBondContact CD-OE2 3.26Å; R334-E337 IonicContact CZ-OE1 2.8Å; R334-E337 IonicContact NE-OE1 3.18Å; R334-E337 IonicContact NH1-OE1 3.96Å; R334-E337 PolarHBondContact NH1-OE1 3.48Å; R334-E337 IonicContact NH1-OE2 2.87Å; R334-E337 PolarHBondContact O-N 3.43Å; E337-R343 WeakPolarHBondContact O-CD 3.32Å; E337-R343 PolarHBondContact O-NH1 3.43Å |
| 338 | E | 76.7 | Confident | 87.6 | Confident | 154 Ų | 154 | 43.5 Ų | 43.5 | 72% | 0.72 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -63.3 | -37.5 | -178.9 | -68 | -69.5 | 155.4 | 0 | 0 | 115 | Y340 R343 | E338-Y340 PolarHBondContact O-N 3.14Å; E338-R343 PolarHBondContact O-NH1 2.91Å |
| 339 | P | 77.5 | Confident | 87.8 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | trans | -69.3 | 119.1 | 178.8 | -20.9 | 34.8 | 0 | 0 | 0 | 112.4 | E300 Q341 M342 R343 | E300-P339 HydrophobicContact CB-CG 3.83Å; E300-P339 HydrophobicContact CG-CG 3.8Å; P339-Q341 PolarHBondContact O-N 3.14Å; P339-M342 PolarHBondContact O-N 2.89Å; P339-R343 PolarHBondContact O-N 3.5Å | ||
| 340 | Y | 85.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 38.9 Ų | 38.9 | 29% | 0.286 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.9 | -24.4 | -177 | 73 | -92.5 | 0 | 0 | 0 | 113.4 | E338 M342 R343 N344 N386 Y388 | E338-Y340 PolarHBondContact O-N 3.14Å; Y340-M342 PolarHBondContact O-N 3.3Å; Y340-R343 PolarHBondContact O-N 3.22Å; Y340-N344 VanDerWaalsContact O-CB 3.27Å; Y340-N344 WeakPolarHBondContact O-CB 3.23Å; Y340-N344 PolarHBondContact O-N 3.1Å; Y340-N386 WeakPolarHBondContact CD1-ND2 3.46Å; Y340-Y388 HydrophobicContact CD2-CD2 4.45Å; Y340-Y388 HydrophobicContact CD2-CG 4.48Å; Y340-Y388 HydrophobicContact CE2-CD2 4.13Å; Y340-Y388 HydrophobicContact CE2-CG 4.22Å |
| 341 | Q | 86.2 | Confident | 88.5 | Confident | 45 Ų | 45 | 36 Ų | 36 | 21% | 0.21 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | -179.9 | -62.1 | 84.5 | -13.4 | 0 | 0 | 111.1 | P339 N344 C345 | P339-Q341 PolarHBondContact O-N 3.14Å; Q341-N344 PolarHBondContact O-N 2.97Å; Q341-C345 WeakPolarHBondContact O-CB 3.24Å; Q341-C345 PolarHBondContact O-N 3.21Å |
| 342 | M | 86.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 176.8 | -69.9 | -55.6 | -63.9 | 0 | 0 | 111.1 | R334 P339 Y340 N344 C345 V346 | R334-M342 HydrophobicContact CG-CE 4.39Å; P339-M342 PolarHBondContact O-N 2.89Å; Y340-M342 PolarHBondContact O-N 3.3Å; M342-N344 VanDerWaalsContact C-N 3.34Å; M342-N344 PolarHBondContact O-N 3.5Å; M342-C345 VanDerWaalsContact O-CB 3.26Å; M342-C345 WeakPolarHBondContact O-CB 3.38Å; M342-C345 PolarHBondContact O-N 3.37Å; M342-C345 VanDerWaalsContact O-N 3.16Å; M342-V346 WeakPolarHBondContact O-CG2 3.35Å; M342-V346 PolarHBondContact O-N 3.36Å |
| 343 | R | 91 | Very high | 89.1 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -47.4 | 172 | -60.3 | -155.9 | -63.7 | -78.7 | 6.9 | 111.5 | L335 E337 E338 P339 Y340 C345 V346 L347 D384 V389 | L335-R343 WeakPolarHBondContact O-CD 3.12Å; E337-R343 WeakPolarHBondContact O-CD 3.32Å; E337-R343 PolarHBondContact O-NH1 3.43Å; E338-R343 PolarHBondContact O-NH1 2.91Å; P339-R343 PolarHBondContact O-N 3.5Å; Y340-R343 PolarHBondContact O-N 3.22Å; R343-C345 VanDerWaalsContact C-N 3.32Å; R343-C345 PolarHBondContact O-N 3.01Å; R343-V346 PolarHBondContact O-N 3.16Å; R343-V346 VanDerWaalsContact O-N 3.15Å; R343-L347 WeakPolarHBondContact O-CG 3.49Å; R343-L347 PolarHBondContact O-N 3.15Å; R343-D384 IonicContact CZ-OD1 3.99Å; R343-D384 IonicContact CZ-OD2 2.84Å; R343-D384 IonicContact NE-OD1 3.54Å; R343-D384 IonicContact NE-OD2 3.81Å; R343-D384 PolarHBondContact NE-OD2 3.45Å; R343-D384 IonicContact NH2-OD1 2.84Å; R343-D384 PolarHBondContact NH2-OD1 3.5Å; R343-D384 IonicContact NH2-OD2 2.8Å; R343-V389 HydrophobicContact CB-CG1 4.36Å; R343-V389 HydrophobicContact CB-CG2 4.36Å |
| 344 | N | 92.4 | Very high | 89.5 | Confident | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -35.9 | 176.2 | -81.8 | -8.9 | 0 | 0 | 0 | 113.3 | Y340 Q341 M342 G348 V389 K392 | Y340-N344 VanDerWaalsContact O-CB 3.27Å; Y340-N344 WeakPolarHBondContact O-CB 3.23Å; Y340-N344 PolarHBondContact O-N 3.1Å; Q341-N344 PolarHBondContact O-N 2.97Å; M342-N344 VanDerWaalsContact C-N 3.34Å; M342-N344 PolarHBondContact O-N 3.5Å; N344-G348 PolarHBondContact O-N 2.97Å; N344-V389 VanDerWaalsContact OD1-CA 3.26Å; N344-V389 WeakPolarHBondContact OD1-CA 3.44Å; N344-K392 HydrophobicContact CB-CG 4.47Å; N344-K392 WeakPolarHBondContact OD1-CB 3.27Å |
| 345 | C | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.2 | -52 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | S310 L314 Q341 M342 R343 G348 V349 | S310-C345 VanDerWaalsContact CA-SG 3.52Å; S310-C345 VanDerWaalsContact OG-CB 3.24Å; S310-C345 WeakPolarHBondContact OG-CB 3.42Å; L314-C345 WeakPolarHBondContact CD2-O 3.35Å; Q341-C345 WeakPolarHBondContact O-CB 3.24Å; Q341-C345 PolarHBondContact O-N 3.21Å; M342-C345 VanDerWaalsContact O-CB 3.26Å; M342-C345 WeakPolarHBondContact O-CB 3.38Å; M342-C345 PolarHBondContact O-N 3.37Å; M342-C345 VanDerWaalsContact O-N 3.16Å; R343-C345 VanDerWaalsContact C-N 3.32Å; R343-C345 PolarHBondContact O-N 3.01Å; C345-G348 PolarHBondContact O-N 2.87Å; C345-G348 VanDerWaalsContact O-N 3.17Å; C345-V349 WeakPolarHBondContact O-CG2 3.47Å; C345-V349 PolarHBondContact O-N 3.41Å |
| 346 | V | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | -178 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | L328 L331 R334 L335 M342 R343 G348 V349 I350 | L328-V346 HydrophobicContact CD1-CG1 4.13Å; L331-V346 HydrophobicContact CB-CG1 4.25Å; L331-V346 HydrophobicContact CB-CG2 3.91Å; R334-V346 HydrophobicContact CB-CG2 3.84Å; L335-V346 HydrophobicContact CD1-CG1 3.99Å; L335-V346 HydrophobicContact CD2-CB 3.65Å; L335-V346 HydrophobicContact CD2-CG1 3.72Å; L335-V346 HydrophobicContact CG-CB 4.04Å; L335-V346 HydrophobicContact CG-CG1 3.69Å; M342-V346 WeakPolarHBondContact O-CG2 3.35Å; M342-V346 PolarHBondContact O-N 3.36Å; R343-V346 PolarHBondContact O-N 3.16Å; R343-V346 VanDerWaalsContact O-N 3.15Å; V346-G348 VanDerWaalsContact C-N 3.29Å; V346-G348 PolarHBondContact O-N 3.12Å; V346-V349 PolarHBondContact O-N 2.65Å; V346-I350 HydrophobicContact CG1-CD1 4.21Å; V346-I350 WeakPolarHBondContact O-CG1 3.23Å; V346-I350 PolarHBondContact O-N 3.33Å |
| 347 | L | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 171.8 | -72.2 | -178.9 | 0 | 0 | 0 | 111.5 | L335 R343 I350 G351 L378 H381 V389 K392 A393 I396 | L335-L347 HydrophobicContact CD2-CD2 4.22Å; L335-L347 HydrophobicContact CD2-CG 4.19Å; R343-L347 WeakPolarHBondContact O-CG 3.49Å; R343-L347 PolarHBondContact O-N 3.15Å; L347-I350 HydrophobicContact CD2-CD1 4.45Å; L347-I350 CarbonylContact O-C 3.56Å; L347-I350 WeakPolarHBondContact O-CB 3.34Å; L347-I350 PolarHBondContact O-N 3.42Å; L347-G351 PolarHBondContact O-N 2.86Å; L347-L378 HydrophobicContact CD2-CD1 4.08Å; L347-H381 HydrophobicContact CD1-CB 3.97Å; L347-H381 HydrophobicContact CD2-CB 4.13Å; L347-V389 HydrophobicContact CD1-CG1 3.46Å; L347-V389 VanDerWaalsContact CD1-CG1 3.46Å; L347-K392 HydrophobicContact CB-CG 4.27Å; L347-A393 HydrophobicContact CD1-CB 4.33Å; L347-I396 HydrophobicContact CB-CD1 3.94Å; L347-I396 WeakPolarHBondContact O-CD1 3.49Å |
| 348 | G | 96.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L314 N344 C345 V346 I350 G351 E352 | L314-G348 VanDerWaalsContact CD2-C 3.47Å; N344-G348 PolarHBondContact O-N 2.97Å; C345-G348 PolarHBondContact O-N 2.87Å; C345-G348 VanDerWaalsContact O-N 3.17Å; V346-G348 VanDerWaalsContact C-N 3.29Å; V346-G348 PolarHBondContact O-N 3.12Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 2.98Å; G348-G351 CarbonylContact O-C 3.5Å; G348-G351 WeakPolarHBondContact O-CA 3.37Å; G348-G351 PolarHBondContact O-N 3.35Å; G348-E352 WeakPolarHBondContact O-CG 3.39Å; G348-E352 PolarHBondContact O-N 3.23Å |
| 349 | V | 96.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L314 A317 A324 L328 L331 C345 V346 G351 E352 I353 | L314-V349 HydrophobicContact CD2-CG2 4.11Å; A317-V349 HydrophobicContact CB-CB 4.3Å; A317-V349 HydrophobicContact CB-CG1 4.1Å; A317-V349 HydrophobicContact CB-CG2 3.99Å; A324-V349 HydrophobicContact CB-CG1 4.34Å; L328-V349 HydrophobicContact CD1-CG1 4.27Å; L331-V349 HydrophobicContact CD1-CG1 4.39Å; L331-V349 HydrophobicContact CD1-CG2 4.31Å; C345-V349 WeakPolarHBondContact O-CG2 3.47Å; C345-V349 PolarHBondContact O-N 3.41Å; V346-V349 PolarHBondContact O-N 2.65Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 3.03Å; V349-E352 PolarHBondContact O-N 3.42Å; V349-I353 HydrophobicContact CG1-CD1 3.61Å; V349-I353 HydrophobicContact CG1-CG1 4.48Å; V349-I353 WeakPolarHBondContact O-CD1 3.42Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.43Å; V349-I353 PolarHBondContact O-N 2.89Å; V349-I353 VanDerWaalsContact O-N 3.08Å |
| 350 | I | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 172.2 | -68.9 | 169 | 0 | 0 | 0 | 110.2 | L328 L335 V346 L347 G348 E352 I353 L354 L374 L377 | L328-I350 HydrophobicContact CD1-CG1 3.94Å; L328-I350 HydrophobicContact CD2-CG1 4.35Å; L335-I350 HydrophobicContact CD1-CD1 4.26Å; V346-I350 HydrophobicContact CG1-CD1 4.21Å; V346-I350 WeakPolarHBondContact O-CG1 3.23Å; V346-I350 PolarHBondContact O-N 3.33Å; L347-I350 HydrophobicContact CD2-CD1 4.45Å; L347-I350 CarbonylContact O-C 3.56Å; L347-I350 WeakPolarHBondContact O-CB 3.34Å; L347-I350 PolarHBondContact O-N 3.42Å; G348-I350 VanDerWaalsContact C-N 3.33Å; G348-I350 PolarHBondContact O-N 2.98Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 3.39Å; I350-I353 PolarHBondContact O-N 2.91Å; I350-L354 WeakPolarHBondContact O-CB 3.26Å; I350-L354 PolarHBondContact O-N 3.23Å; I350-L374 HydrophobicContact CG1-CD2 4.21Å; I350-L374 HydrophobicContact CG2-CB 4.22Å; I350-L374 HydrophobicContact CG2-CD2 4.28Å; I350-L377 HydrophobicContact CD1-CB 4.38Å; I350-L377 HydrophobicContact CD1-CD1 4.24Å |
| 351 | G | 94.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -29.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L347 G348 V349 P355 | L347-G351 PolarHBondContact O-N 2.86Å; G348-G351 CarbonylContact O-C 3.5Å; G348-G351 WeakPolarHBondContact O-CA 3.37Å; G348-G351 PolarHBondContact O-N 3.35Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 3.03Å; G351-P355 WeakPolarHBondContact O-CD 3.4Å; G351-P355 WeakPolarHBondContact O-CG 3.41Å |
| 352 | E | 94.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -82.2 | -30.4 | 174.1 | -58.3 | -59 | 164.3 | 0 | 0 | 112.4 | A317 R318 G348 V349 I350 | A317-E352 HydrophobicContact CB-CB 4.03Å; A317-E352 HydrophobicContact CB-CG 4.13Å; R318-E352 HydrophobicContact CG-CG 3.8Å; R318-E352 VanDerWaalsContact CG-OE1 3.25Å; R318-E352 WeakPolarHBondContact CG-OE1 3.15Å; R318-E352 IonicContact NE-OE1 2.75Å; R318-E352 PolarHBondContact NE-OE1 3.4Å; G348-E352 WeakPolarHBondContact O-CG 3.39Å; G348-E352 PolarHBondContact O-N 3.23Å; V349-E352 PolarHBondContact O-N 3.42Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 3.39Å |
| 353 | I | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -81.2 | -41.6 | -180 | -68.9 | 164.4 | 0 | 0 | 0 | 111.7 | A324 Q325 L328 V349 I350 P355 M356 F357 L374 | A324-I353 HydrophobicContact CB-CD1 3.9Å; A324-I353 HydrophobicContact CB-CG1 3.99Å; Q325-I353 HydrophobicContact CB-CG2 4.48Å; L328-I353 HydrophobicContact CB-CD1 4.23Å; L328-I353 HydrophobicContact CD2-CD1 4.05Å; V349-I353 HydrophobicContact CG1-CD1 3.61Å; V349-I353 HydrophobicContact CG1-CG1 4.48Å; V349-I353 WeakPolarHBondContact O-CD1 3.42Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.43Å; V349-I353 PolarHBondContact O-N 2.89Å; V349-I353 VanDerWaalsContact O-N 3.08Å; I350-I353 PolarHBondContact O-N 2.91Å; I353-P355 VanDerWaalsContact C-CD 3.48Å; I353-M356 WeakPolarHBondContact O-CB 3.43Å; I353-M356 VanDerWaalsContact O-CG 3.31Å; I353-M356 WeakPolarHBondContact O-CG 3.41Å; I353-M356 PolarHBondContact O-N 2.9Å; I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 HydrophobicContact CG2-CZ 4.46Å; I353-L374 HydrophobicContact CG2-CD1 3.98Å |
| 354 | L | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39.6 | -172.4 | -176.5 | 57.9 | 0 | 0 | 0 | 113.8 | I350 M356 F357 A358 R371 L374 M375 L378 I400 | I350-L354 WeakPolarHBondContact O-CB 3.26Å; I350-L354 PolarHBondContact O-N 3.23Å; L354-M356 PolarHBondContact O-N 3.18Å; L354-M356 VanDerWaalsContact O-N 3.12Å; L354-F357 PolarHBondContact O-N 3.24Å; L354-A358 WeakPolarHBondContact O-CB 3.28Å; L354-A358 PolarHBondContact O-N 3.38Å; L354-R371 HydrophobicContact CD1-CG 4.03Å; L354-L374 HydrophobicContact CD1-CB 3.96Å; L354-L374 HydrophobicContact CD1-CD1 4.32Å; L354-M375 HydrophobicContact CD1-CE 4.17Å; L354-M375 HydrophobicContact CD1-CG 4.1Å; L354-M375 HydrophobicContact CD2-CE 4.47Å; L354-M375 HydrophobicContact CD2-CG 4.03Å; L354-L378 HydrophobicContact CD2-CD2 4.38Å; L354-I400 HydrophobicContact CB-CD1 4.11Å; L354-I400 HydrophobicContact CD2-CD1 3.77Å; L354-I400 HydrophobicContact CD2-CG1 3.79Å; L354-I400 HydrophobicContact CG-CD1 3.71Å; L354-I400 HydrophobicContact CG-CG1 4.31Å |
| 355 | P | 90.2 | Very high | 86.9 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.2 | -26.7 | 174.1 | -29 | 36.8 | 0 | 0 | 0 | 114.8 | G351 I353 F357 A358 I400 L403 | G351-P355 WeakPolarHBondContact O-CD 3.4Å; G351-P355 WeakPolarHBondContact O-CG 3.41Å; I353-P355 VanDerWaalsContact C-CD 3.48Å; P355-F357 PolarHBondContact O-N 3Å; P355-A358 PolarHBondContact O-N 3.45Å; P355-I400 HydrophobicContact CG-CD1 4.05Å; P355-L403 HydrophobicContact CB-CD1 4.24Å; P355-L403 HydrophobicContact CG-CD1 4.17Å |
| 356 | M | 88.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 27% | 0.271 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -26.9 | 175.8 | -60.6 | 173.6 | 63.9 | 0 | 0 | 112.9 | P321 T322 I353 L354 R360 | P321-M356 HydrophobicContact CB-CE 4.41Å; P321-M356 HydrophobicContact CB-CG 4.11Å; P321-M356 HydrophobicContact CB-SD 3.33Å; P321-M356 WeakPolarHBondContact CB-SD 3.36Å; T322-M356 HydrophobicContact CG2-CE 3.66Å; I353-M356 WeakPolarHBondContact O-CB 3.43Å; I353-M356 VanDerWaalsContact O-CG 3.31Å; I353-M356 WeakPolarHBondContact O-CG 3.41Å; I353-M356 PolarHBondContact O-N 2.9Å; L354-M356 PolarHBondContact O-N 3.18Å; L354-M356 VanDerWaalsContact O-N 3.12Å; M356-R360 VanDerWaalsContact O-CD 3.26Å; M356-R360 WeakPolarHBondContact O-CD 3.25Å |
| 357 | F | 85.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -108.2 | -27.1 | 179.8 | -46.4 | -69.7 | 0 | 0 | 0 | 112.6 | I353 L354 P355 K359 L363 E367 Q370 R371 L374 | I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 HydrophobicContact CG2-CZ 4.46Å; L354-F357 PolarHBondContact O-N 3.24Å; P355-F357 PolarHBondContact O-N 3Å; F357-K359 PolarHBondContact O-N 2.81Å; F357-L363 HydrophobicContact CB-CD1 4.45Å; F357-L363 HydrophobicContact CB-CD2 4.39Å; F357-L363 HydrophobicContact CD1-CD2 4.5Å; F357-L363 WeakPolarHBondContact O-CD1 3.23Å; F357-E367 HydrophobicContact CD1-CB 4.1Å; F357-E367 HydrophobicContact CD1-CG 4.05Å; F357-E367 HydrophobicContact CE1-CB 4.4Å; F357-E367 HydrophobicContact CE1-CG 3.94Å; F357-Q370 HydrophobicContact CE2-CG 4.16Å; F357-Q370 HydrophobicContact CZ-CG 4.28Å; F357-R371 HydrophobicContact CB-CB 3.75Å; F357-R371 HydrophobicContact CB-CG 3.96Å; F357-R371 HydrophobicContact CG-CB 4.4Å; F357-L374 HydrophobicContact CD2-CD1 4.19Å; F357-L374 HydrophobicContact CE2-CD1 4.06Å |
| 358 | A | 80.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L354 P355 I400 G405 | L354-A358 WeakPolarHBondContact O-CB 3.28Å; L354-A358 PolarHBondContact O-N 3.38Å; P355-A358 PolarHBondContact O-N 3.45Å; A358-I400 HydrophobicContact CB-CD1 4.26Å; A358-I400 HydrophobicContact CB-CG2 4.47Å; A358-G405 WeakPolarHBondContact O-CA 3.49Å |
| 359 | K | 72.5 | Confident | 85.4 | Confident | 167 Ų | 167 | 65 Ų | 65 | 73% | 0.726 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -82.5 | -18.2 | -175.4 | -168.2 | 175.7 | 179.9 | 177.5 | 0 | 114.5 | F357 | F357-K359 PolarHBondContact O-N 2.81Š|
| 360 | R | 76.5 | Confident | 85.1 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | trans | -83.9 | 121.3 | -169.4 | -71.7 | 169.9 | 61 | -159.5 | -11.2 | 110.8 | M356 L363 E367 | M356-R360 VanDerWaalsContact O-CD 3.26Å; M356-R360 WeakPolarHBondContact O-CD 3.25Å; R360-L363 HydrophobicContact CB-CD2 3.68Å; R360-L363 HydrophobicContact CB-CG 4.21Å; R360-E367 IonicContact CZ-OE1 3.82Å; R360-E367 IonicContact CZ-OE2 2.76Å; R360-E367 VanDerWaalsContact CZ-OE2 3.25Å; R360-E367 VanDerWaalsContact NH1-CD 3.35Å; R360-E367 IonicContact NH1-OE1 2.72Å; R360-E367 PolarHBondContact NH1-OE1 3.01Å; R360-E367 IonicContact NH1-OE2 2.77Å; R360-E367 PolarHBondContact NH1-OE2 3.32Å; R360-E367 IonicContact NH2-OE1 3.58Å; R360-E367 PolarHBondContact NH2-OE1 2.97Å; R360-E367 IonicContact NH2-OE2 3.64Å; R360-E367 PolarHBondContact NH2-OE2 2.92Å | ||
| 361 | E | 65.3 | Low | 84.8 | Confident | 191 Ų | 191 | 68.5 Ų | 68.5 | 89% | 0.893 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -68.5 | -40.1 | 176.4 | -64.3 | -177 | 169.8 | 0 | 0 | 112.3 | ||
| 362 | Q | 74.5 | Confident | 84.6 | Confident | 173 Ų | 173 | 69.8 Ų | 69.8 | 81% | 0.808 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -103.4 | 88.4 | -178.5 | -66.9 | 167.5 | 5.8 | 0 | 0 | 109.7 | ||
| 363 | L | 78.5 | Confident | 84.5 | Confident | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | trans | -98.6 | 141.4 | 169.8 | -64.7 | 171.3 | 0 | 0 | 0 | 109.2 | F357 R360 E367 R368 | F357-L363 HydrophobicContact CB-CD1 4.45Å; F357-L363 HydrophobicContact CB-CD2 4.39Å; F357-L363 HydrophobicContact CD1-CD2 4.5Å; F357-L363 WeakPolarHBondContact O-CD1 3.23Å; R360-L363 HydrophobicContact CB-CD2 3.68Å; R360-L363 HydrophobicContact CB-CG 4.21Å; L363-E367 HydrophobicContact CB-CB 4.1Å; L363-E367 HydrophobicContact CD2-CB 4.04Å; L363-E367 WeakPolarHBondContact CD2-OE2 3.29Å; L363-R368 HydrophobicContact CB-CB 4.3Å | ||
| 364 | D | 84.3 | Confident | 84.5 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | trans | -66.9 | 160.6 | 167 | 75.3 | -87.4 | 0 | 0 | 0 | 110.3 | N366 E367 R368 | D364-N366 PolarHBondContact O-N 3Å; D364-N366 VanDerWaalsContact O-N 3.12Å; D364-N366 WeakPolarHBondContact OD2-CA 3.31Å; D364-N366 VanDerWaalsContact OD2-CB 3.27Å; D364-N366 WeakPolarHBondContact OD2-CB 3.38Å; D364-N366 PolarHBondContact OD2-N 3.01Å; D364-E367 PolarHBondContact O-N 2.67Å; D364-E367 VanDerWaalsContact OD1-CB 3.28Å; D364-E367 WeakPolarHBondContact OD1-CB 3.31Å; D364-E367 WeakPolarHBondContact OD1-CG 3.38Å; D364-E367 PolarHBondContact OD2-N 3.48Å; D364-R368 PolarHBondContact O-N 3.32Å | ||
| 365 | P | 82.3 | Confident | 84.6 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55.1 | -33.1 | -177.2 | -28.1 | 36 | 0 | 0 | 0 | 114.3 | V369 | P365-V369 VanDerWaalsContact O-CG2 3.29Å; P365-V369 WeakPolarHBondContact O-CG2 3.4Å; P365-V369 PolarHBondContact O-N 3.48Å; P365-V369 VanDerWaalsContact O-N 3.16Å |
| 366 | N | 86.2 | Confident | 84.8 | Confident | 127 Ų | 127 | 75.8 Ų | 75.8 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -76.4 | -42.5 | -179.5 | -62.8 | -38.8 | 0 | 0 | 0 | 111.5 | D364 R368 V369 Q370 | D364-N366 PolarHBondContact O-N 3Å; D364-N366 VanDerWaalsContact O-N 3.12Å; D364-N366 WeakPolarHBondContact OD2-CA 3.31Å; D364-N366 VanDerWaalsContact OD2-CB 3.27Å; D364-N366 WeakPolarHBondContact OD2-CB 3.38Å; D364-N366 PolarHBondContact OD2-N 3.01Å; N366-R368 VanDerWaalsContact C-N 3.3Å; N366-R368 PolarHBondContact O-N 2.87Å; N366-V369 PolarHBondContact O-N 3.06Å; N366-Q370 WeakPolarHBondContact O-CB 2.94Å; N366-Q370 PolarHBondContact O-N 3.42Å |
| 367 | E | 87.9 | Confident | 85 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 173.2 | -81 | 177.6 | 155.8 | 0 | 0 | 111.8 | F357 R360 L363 D364 Q370 R371 | F357-E367 HydrophobicContact CD1-CB 4.1Å; F357-E367 HydrophobicContact CD1-CG 4.05Å; F357-E367 HydrophobicContact CE1-CB 4.4Å; F357-E367 HydrophobicContact CE1-CG 3.94Å; R360-E367 IonicContact CZ-OE1 3.82Å; R360-E367 IonicContact CZ-OE2 2.76Å; R360-E367 VanDerWaalsContact CZ-OE2 3.25Å; R360-E367 VanDerWaalsContact NH1-CD 3.35Å; R360-E367 IonicContact NH1-OE1 2.72Å; R360-E367 PolarHBondContact NH1-OE1 3.01Å; R360-E367 IonicContact NH1-OE2 2.77Å; R360-E367 PolarHBondContact NH1-OE2 3.32Å; R360-E367 IonicContact NH2-OE1 3.58Å; R360-E367 PolarHBondContact NH2-OE1 2.97Å; R360-E367 IonicContact NH2-OE2 3.64Å; R360-E367 PolarHBondContact NH2-OE2 2.92Å; L363-E367 HydrophobicContact CB-CB 4.1Å; L363-E367 HydrophobicContact CD2-CB 4.04Å; L363-E367 WeakPolarHBondContact CD2-OE2 3.29Å; D364-E367 PolarHBondContact O-N 2.67Å; D364-E367 VanDerWaalsContact OD1-CB 3.28Å; D364-E367 WeakPolarHBondContact OD1-CB 3.31Å; D364-E367 WeakPolarHBondContact OD1-CG 3.38Å; D364-E367 PolarHBondContact OD2-N 3.48Å; E367-Q370 PolarHBondContact O-N 2.96Å; E367-R371 PolarHBondContact O-N 3.42Å |
| 368 | R | 84.8 | Confident | 85.5 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 176.2 | -173.5 | 174.9 | 179.7 | 148.5 | -1.3 | 112 | L363 D364 N366 Q370 R371 D372 | L363-R368 HydrophobicContact CB-CB 4.3Å; D364-R368 PolarHBondContact O-N 3.32Å; N366-R368 VanDerWaalsContact C-N 3.3Å; N366-R368 PolarHBondContact O-N 2.87Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.27Å; R368-R371 PolarHBondContact O-N 2.99Å; R368-D372 PolarHBondContact O-N 2.99Å |
| 369 | V | 88.8 | Confident | 86.2 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 111 | P365 N366 R373 | P365-V369 VanDerWaalsContact O-CG2 3.29Å; P365-V369 WeakPolarHBondContact O-CG2 3.4Å; P365-V369 PolarHBondContact O-N 3.48Å; P365-V369 VanDerWaalsContact O-N 3.16Å; N366-V369 PolarHBondContact O-N 3.06Å; V369-R373 HydrophobicContact CG1-CG 4.46Å; V369-R373 WeakPolarHBondContact O-CB 3.4Å; V369-R373 VanDerWaalsContact O-CG 3.25Å; V369-R373 WeakPolarHBondContact O-CG 3.38Å; V369-R373 PolarHBondContact O-N 2.85Å |
| 370 | Q | 89.4 | Confident | 87.2 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -49 | 176.9 | -179.4 | 164.3 | 14.6 | 0 | 0 | 111.8 | F357 N366 E367 R368 D372 R373 L374 | F357-Q370 HydrophobicContact CE2-CG 4.16Å; F357-Q370 HydrophobicContact CZ-CG 4.28Å; N366-Q370 WeakPolarHBondContact O-CB 2.94Å; N366-Q370 PolarHBondContact O-N 3.42Å; E367-Q370 PolarHBondContact O-N 2.96Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 3.27Å; Q370-D372 VanDerWaalsContact C-N 3.3Å; Q370-D372 PolarHBondContact O-N 2.91Å; Q370-R373 PolarHBondContact O-N 3.22Å; Q370-L374 HydrophobicContact CG-CD1 4.15Å; Q370-L374 HydrophobicContact CG-CG 4.45Å; Q370-L374 VanDerWaalsContact O-CG 3.3Å; Q370-L374 WeakPolarHBondContact O-CG 3.26Å; Q370-L374 PolarHBondContact O-N 2.94Å |
| 371 | R | 90.6 | Very high | 88.2 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.4 | -50.4 | 174.9 | -177.4 | -160.3 | 66 | -164.6 | -1.9 | 111.2 | L354 F357 E367 R368 R373 L374 M375 | L354-R371 HydrophobicContact CD1-CG 4.03Å; F357-R371 HydrophobicContact CB-CB 3.75Å; F357-R371 HydrophobicContact CB-CG 3.96Å; F357-R371 HydrophobicContact CG-CB 4.4Å; E367-R371 PolarHBondContact O-N 3.42Å; R368-R371 PolarHBondContact O-N 2.99Å; R371-R373 PolarHBondContact O-N 2.93Å; R371-L374 PolarHBondContact O-N 3.42Å; R371-M375 HydrophobicContact CG-CE 3.88Å; R371-M375 HydrophobicContact CG-SD 4.1Å; R371-M375 WeakPolarHBondContact O-CG 3.43Å; R371-M375 PolarHBondContact O-N 2.91Å |
| 372 | D | 90.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -41 | -176 | -69.4 | -18.8 | 0 | 0 | 0 | 111.3 | R368 Q370 L374 M375 D376 R410 | R368-D372 PolarHBondContact O-N 2.99Å; Q370-D372 VanDerWaalsContact C-N 3.3Å; Q370-D372 PolarHBondContact O-N 2.91Å; D372-L374 PolarHBondContact O-N 3.46Å; D372-M375 PolarHBondContact O-N 3.36Å; D372-D376 PolarHBondContact O-N 3.3Å; D372-R410 PolarHBondContact O-NH2 3.43Å; D372-R410 VanDerWaalsContact O-NH2 3.17Å; D372-R410 IonicContact OD1-NE 2.9Å; D372-R410 IonicContact OD1-NH2 3Å |
| 373 | R | 92.1 | Very high | 90.6 | Very high | 153 Ų | 153 | 58.2 Ų | 58.2 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.3 | -38.6 | 174.3 | -74.9 | 173 | 178.9 | 176.8 | 2.3 | 113.4 | V369 Q370 R371 D376 L377 | V369-R373 HydrophobicContact CG1-CG 4.46Å; V369-R373 WeakPolarHBondContact O-CB 3.4Å; V369-R373 VanDerWaalsContact O-CG 3.25Å; V369-R373 WeakPolarHBondContact O-CG 3.38Å; V369-R373 PolarHBondContact O-N 2.85Å; Q370-R373 PolarHBondContact O-N 3.22Å; R371-R373 PolarHBondContact O-N 2.93Å; R373-D376 PolarHBondContact O-N 3.42Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.02Å; R373-L377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 93.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 177.6 | -67.8 | 176.1 | 0 | 0 | 0 | 111.4 | L328 I350 I353 L354 F357 Q370 R371 D372 D376 L377 L378 | L328-L374 HydrophobicContact CD2-CD2 3.46Å; L328-L374 VanDerWaalsContact CD2-CD2 3.46Å; I350-L374 HydrophobicContact CG1-CD2 4.21Å; I350-L374 HydrophobicContact CG2-CB 4.22Å; I350-L374 HydrophobicContact CG2-CD2 4.28Å; I353-L374 HydrophobicContact CG2-CD1 3.98Å; L354-L374 HydrophobicContact CD1-CB 3.96Å; L354-L374 HydrophobicContact CD1-CD1 4.32Å; F357-L374 HydrophobicContact CD2-CD1 4.19Å; F357-L374 HydrophobicContact CE2-CD1 4.06Å; Q370-L374 HydrophobicContact CG-CD1 4.15Å; Q370-L374 HydrophobicContact CG-CG 4.45Å; Q370-L374 VanDerWaalsContact O-CG 3.3Å; Q370-L374 WeakPolarHBondContact O-CG 3.26Å; Q370-L374 PolarHBondContact O-N 2.94Å; R371-L374 PolarHBondContact O-N 3.42Å; D372-L374 PolarHBondContact O-N 3.46Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-L377 PolarHBondContact O-N 3.02Å; L374-L378 PolarHBondContact O-N 3.44Å |
| 375 | M | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 172.9 | -75 | 175.2 | 175.2 | 0 | 0 | 112 | L354 R371 D372 L378 Q379 W397 I400 P407 R410 | L354-M375 HydrophobicContact CD1-CE 4.17Å; L354-M375 HydrophobicContact CD1-CG 4.1Å; L354-M375 HydrophobicContact CD2-CE 4.47Å; L354-M375 HydrophobicContact CD2-CG 4.03Å; R371-M375 HydrophobicContact CG-CE 3.88Å; R371-M375 HydrophobicContact CG-SD 4.1Å; R371-M375 WeakPolarHBondContact O-CG 3.43Å; R371-M375 PolarHBondContact O-N 2.91Å; D372-M375 PolarHBondContact O-N 3.36Å; M375-L378 PolarHBondContact O-N 2.97Å; M375-Q379 WeakPolarHBondContact O-CB 3.33Å; M375-Q379 PolarHBondContact O-N 2.89Å; M375-W397 HydrophobicContact CB-CH2 3.87Å; M375-W397 HydrophobicContact CB-CZ2 4.37Å; M375-W397 HydrophobicContact CG-CH2 3.88Å; M375-W397 HydrophobicContact CG-CZ3 4.35Å; M375-W397 HydrophobicContact SD-CH2 4.46Å; M375-I400 HydrophobicContact CE-CG2 4.31Å; M375-P407 HydrophobicContact CE-CG 4.08Å; M375-P407 HydrophobicContact SD-CG 4.13Å; M375-R410 VanDerWaalsContact SD-CD 3.56Å |
| 376 | D | 94.5 | Very high | 92.2 | Very high | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.7 | -64.1 | -22.5 | 0 | 0 | 0 | 111.6 | D372 R373 L374 L378 Q379 E380 R410 | D372-D376 PolarHBondContact O-N 3.3Å; R373-D376 PolarHBondContact O-N 3.42Å; L374-D376 VanDerWaalsContact C-N 3.35Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 2.98Å; D376-Q379 WeakPolarHBondContact O-CB 3.27Å; D376-Q379 PolarHBondContact O-N 3.09Å; D376-E380 PolarHBondContact O-N 3.22Å; D376-R410 IonicContact OD1-CZ 3.64Å; D376-R410 VanDerWaalsContact OD1-CZ 3.24Å; D376-R410 IonicContact OD1-NH1 3.03Å; D376-R410 PolarHBondContact OD1-NH1 2.74Å; D376-R410 IonicContact OD1-NH2 3.59Å; D376-R410 PolarHBondContact OD1-NH2 3.24Å; D376-R410 IonicContact OD2-NH2 2.65Å |
| 377 | L | 93.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 172.8 | -71.1 | 171.9 | 0 | 0 | 0 | 111.4 | L335 I350 R373 L374 Q379 E380 H381 | L335-L377 HydrophobicContact CD1-CD1 4.35Å; L335-L377 HydrophobicContact CD1-CD2 4.21Å; I350-L377 HydrophobicContact CD1-CB 4.38Å; I350-L377 HydrophobicContact CD1-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.41Å; R373-L377 PolarHBondContact O-N 3.02Å; R373-L377 VanDerWaalsContact O-N 3.1Å; L374-L377 PolarHBondContact O-N 3.02Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 3.1Å; L377-E380 PolarHBondContact O-N 3.23Å; L377-H381 PolarHBondContact O-CD2 3.48Å; L377-H381 PolarHBondContact O-N 3.07Å |
| 378 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 178.6 | -169.6 | 64.7 | 0 | 0 | 0 | 112.3 | L347 L354 L374 M375 D376 A393 I396 W397 | L347-L378 HydrophobicContact CD2-CD1 4.08Å; L354-L378 HydrophobicContact CD2-CD2 4.38Å; L374-L378 PolarHBondContact O-N 3.44Å; M375-L378 PolarHBondContact O-N 2.97Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 2.98Å; L378-A393 HydrophobicContact CD1-CB 3.96Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.88Å; 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 4.31Å; L378-W397 HydrophobicContact CD2-CD2 3.71Å; L378-W397 HydrophobicContact CD2-CE3 4.36Å; L378-W397 HydrophobicContact CD2-CG 3.8Å; L378-W397 HydrophobicContact CD2-CZ2 4.19Å; L378-W397 HydrophobicContact CG-CD2 4.37Å; L378-W397 HydrophobicContact CG-CG 4.3Å; L378-W397 HydrophobicContact CG-CZ2 4.42Å |
| 379 | Q | 95.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 176.6 | -167.3 | -175.8 | -59.4 | 0 | 0 | 112.2 | M375 D376 L377 H381 I382 W397 L417 | M375-Q379 WeakPolarHBondContact O-CB 3.33Å; M375-Q379 PolarHBondContact O-N 2.89Å; D376-Q379 WeakPolarHBondContact O-CB 3.27Å; D376-Q379 PolarHBondContact O-N 3.09Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 3.1Å; Q379-H381 VanDerWaalsContact C-N 3.29Å; Q379-H381 PolarHBondContact O-N 2.96Å; Q379-I382 WeakPolarHBondContact O-CB 3.48Å; Q379-I382 PolarHBondContact O-N 3.22Å; Q379-W397 HydrophobicContact CB-CZ2 4.3Å; Q379-L417 HydrophobicContact CG-CD1 3.28Å |
| 380 | E | 94.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 53 Ų | 53 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -57.1 | -44.2 | 176.9 | -175.1 | 171.7 | -174 | 0 | 0 | 111.2 | D376 L377 I382 H383 | D376-E380 PolarHBondContact O-N 3.22Å; L377-E380 PolarHBondContact O-N 3.23Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.29Å; E380-H383 PolarHBondContact O-N 2.85Å |
| 381 | H | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -78.1 | 0.1 | -179.7 | -70.3 | -72.8 | 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 4.13Å; L377-H381 PolarHBondContact O-CD2 3.48Å; L377-H381 PolarHBondContact O-N 3.07Å; Q379-H381 VanDerWaalsContact C-N 3.29Å; Q379-H381 PolarHBondContact O-N 2.96Å; H381-H383 PolarHBondContact O-N 2.96Å; H381-D384 IonicContact CE1-OD2 2.93Å; H381-D384 IonicContact ND1-OD2 3.41Å; H381-D384 PolarHBondContact ND1-OD2 3.28Å; H381-D384 VanDerWaalsContact ND1-OD2 3.07Å; H381-D384 PolarHBondContact O-N 3.12Å; H381-V389 HydrophobicContact CB-CG1 4.21Å; H381-R390 WeakPolarHBondContact O-CA 3.02Å; H381-A393 HydrophobicContact CB-CB 4.18Å |
| 382 | I | 97 | Very high | 94.7 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.6 | -26.8 | 160.8 | -65.2 | 175.8 | 0 | 0 | 0 | 110.1 | Q379 E380 R390 A393 L394 L414 L417 A424 | Q379-I382 WeakPolarHBondContact O-CB 3.48Å; Q379-I382 PolarHBondContact O-N 3.22Å; E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 3.29Å; I382-R390 WeakPolarHBondContact O-CD 3.21Å; I382-R390 WeakPolarHBondContact O-CG 3.33Å; I382-A393 HydrophobicContact CG1-CB 4.4Å; I382-L394 HydrophobicContact CD1-CD2 4.15Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.3Å; I382-L414 HydrophobicContact CD1-CD1 4.03Å; I382-L417 HydrophobicContact CD1-CB 4.48Å; I382-L417 HydrophobicContact CD1-CD1 4.13Å; I382-A424 HydrophobicContact CG2-CB 4.28Å |
| 383 | H | 93.7 | Very high | 95.1 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -102.2 | 19.3 | -179.7 | -52.9 | 88 | 0 | 0 | 0 | 113 | E380 H381 | E380-H383 PolarHBondContact O-N 2.85Å; H381-H383 PolarHBondContact O-N 2.96Å |
| 384 | D | 95.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | trans | -62.3 | 148.4 | 178 | -162.8 | -75.4 | 0 | 0 | 0 | 111.2 | R343 H381 N386 V389 R390 | R343-D384 IonicContact CZ-OD1 3.99Å; R343-D384 IonicContact CZ-OD2 2.84Å; R343-D384 IonicContact NE-OD1 3.54Å; R343-D384 IonicContact NE-OD2 3.81Å; R343-D384 PolarHBondContact NE-OD2 3.45Å; R343-D384 IonicContact NH2-OD1 2.84Å; R343-D384 PolarHBondContact NH2-OD1 3.5Å; R343-D384 IonicContact NH2-OD2 2.8Å; H381-D384 IonicContact CE1-OD2 2.93Å; H381-D384 IonicContact ND1-OD2 3.41Å; H381-D384 PolarHBondContact ND1-OD2 3.28Å; H381-D384 VanDerWaalsContact ND1-OD2 3.07Å; H381-D384 PolarHBondContact O-N 3.12Å; D384-N386 PolarHBondContact O-N 3.44Å; D384-N386 PolarHBondContact OD1-N 3.14Å; D384-V389 HydrophobicContact CB-CB 3.87Å; D384-V389 HydrophobicContact CB-CG1 3.87Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.31Å; D384-R390 HydrophobicContact CB-CG 3.89Å; D384-R390 WeakPolarHBondContact O-CD 3.45Å; D384-R390 VanDerWaalsContact O-CG 3.32Å; D384-R390 WeakPolarHBondContact O-CG 3.46Å; D384-R390 PolarHBondContact O-NE 2.85Å | ||
| 385 | V | 92 | Very high | 95.6 | Very high | 136 Ų | 136 | 46.4 Ų | 46.4 | 82% | 0.824 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -65.1 | -25.5 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 386 | N | 92.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -99.5 | 123.5 | -176.8 | -171.5 | -53.8 | 0 | 0 | 0 | 111.5 | Y340 D384 Y388 V389 R390 | Y340-N386 WeakPolarHBondContact CD1-ND2 3.46Å; D384-N386 PolarHBondContact O-N 3.44Å; D384-N386 PolarHBondContact OD1-N 3.14Å; N386-Y388 VanDerWaalsContact C-N 3.26Å; N386-Y388 PolarHBondContact O-N 3.14Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.42Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.47Å; N386-Y388 PolarHBondContact OD1-N 2.96Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 2.93Å; N386-R390 PolarHBondContact O-N 3.4Å |
| 387 | G | 94.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -29.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A391 | G387-A391 VanDerWaalsContact O-CB 3.31Å; G387-A391 WeakPolarHBondContact O-CB 3.41Å; G387-A391 PolarHBondContact O-N 3.17Å |
| 388 | Y | 95 | Very high | 96.1 | Very high | 150 Ų | 150 | 44 Ų | 44 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.7 | -32.8 | 175.9 | -66.1 | -72.9 | 0 | 0 | 0 | 112.3 | Y340 N386 K392 | Y340-Y388 HydrophobicContact CD2-CD2 4.45Å; Y340-Y388 HydrophobicContact CD2-CG 4.48Å; Y340-Y388 HydrophobicContact CE2-CD2 4.13Å; Y340-Y388 HydrophobicContact CE2-CG 4.22Å; N386-Y388 VanDerWaalsContact C-N 3.26Å; N386-Y388 PolarHBondContact O-N 3.14Å; N386-Y388 WeakPolarHBondContact OD1-CB 3.42Å; N386-Y388 WeakPolarHBondContact OD1-CD2 3.47Å; N386-Y388 PolarHBondContact OD1-N 2.96Å; Y388-K392 WeakPolarHBondContact O-CB 3.41Å; Y388-K392 PolarHBondContact O-N 3.1Å |
| 389 | V | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -44.5 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | R343 N344 L347 H381 D384 N386 A391 K392 A393 | R343-V389 HydrophobicContact CB-CG1 4.36Å; R343-V389 HydrophobicContact CB-CG2 4.36Å; N344-V389 VanDerWaalsContact OD1-CA 3.26Å; N344-V389 WeakPolarHBondContact OD1-CA 3.44Å; L347-V389 HydrophobicContact CD1-CG1 3.46Å; L347-V389 VanDerWaalsContact CD1-CG1 3.46Å; H381-V389 HydrophobicContact CB-CG1 4.21Å; D384-V389 HydrophobicContact CB-CB 3.87Å; D384-V389 HydrophobicContact CB-CG1 3.87Å; D384-V389 WeakPolarHBondContact OD2-CG1 3.31Å; N386-V389 HydrophobicContact CB-CG2 3.97Å; N386-V389 PolarHBondContact O-N 2.93Å; V389-A391 PolarHBondContact O-N 2.83Å; V389-K392 WeakPolarHBondContact O-CB 3.41Å; V389-K392 PolarHBondContact O-N 2.82Å; V389-K392 VanDerWaalsContact O-N 3.16Å; V389-A393 PolarHBondContact O-N 3.45Å |
| 390 | R | 97.8 | Very high | 96 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 173.2 | -62.2 | -169.4 | -72.4 | 171.8 | 10.1 | 112 | H381 I382 D384 N386 K392 A393 L394 D427 A432 | H381-R390 WeakPolarHBondContact O-CA 3.02Å; I382-R390 WeakPolarHBondContact O-CD 3.21Å; I382-R390 WeakPolarHBondContact O-CG 3.33Å; D384-R390 HydrophobicContact CB-CG 3.89Å; D384-R390 WeakPolarHBondContact O-CD 3.45Å; D384-R390 VanDerWaalsContact O-CG 3.32Å; D384-R390 WeakPolarHBondContact O-CG 3.46Å; D384-R390 PolarHBondContact O-NE 2.85Å; N386-R390 PolarHBondContact O-N 3.4Å; R390-K392 VanDerWaalsContact C-N 3.29Å; R390-K392 PolarHBondContact O-N 3.46Å; R390-A393 PolarHBondContact O-N 2.84Å; R390-L394 WeakPolarHBondContact O-CB 3.42Å; R390-L394 WeakPolarHBondContact O-CD1 3.18Å; R390-L394 VanDerWaalsContact O-CG 3.32Å; R390-L394 WeakPolarHBondContact O-CG 3.29Å; R390-L394 PolarHBondContact O-N 3.27Å; R390-D427 VanDerWaalsContact CZ-CG 3.43Å; R390-D427 IonicContact CZ-OD1 2.68Å; R390-D427 VanDerWaalsContact CZ-OD1 3.28Å; R390-D427 IonicContact CZ-OD2 3.96Å; R390-D427 IonicContact NE-OD1 3.58Å; R390-D427 IonicContact NE-OD2 2.94Å; R390-D427 PolarHBondContact NE-OD2 3.15Å; R390-D427 IonicContact NH1-OD1 2.85Å; R390-D427 IonicContact NH1-OD2 3.59Å; R390-D427 PolarHBondContact NH1-OD2 3.28Å; R390-D427 IonicContact NH2-OD1 2.71Å; R390-D427 PolarHBondContact NH2-OD1 3.4Å; R390-D427 IonicContact NH2-OD2 3.09Å; R390-D427 PolarHBondContact NH2-OD2 3.36Å; R390-A432 HydrophobicContact CB-CB 4.44Å |
| 391 | A | 98.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G387 V389 Q395 A432 | G387-A391 VanDerWaalsContact O-CB 3.31Å; G387-A391 WeakPolarHBondContact O-CB 3.41Å; G387-A391 PolarHBondContact O-N 3.17Å; V389-A391 PolarHBondContact O-N 2.83Å; A391-Q395 VanDerWaalsContact O-CB 3.3Å; A391-Q395 WeakPolarHBondContact O-CB 3.41Å; A391-Q395 PolarHBondContact O-N 2.88Å; A391-A432 HydrophobicContact CB-CB 4.32Å |
| 392 | K | 97.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.2 | -174.9 | 61 | 179.6 | 179.2 | 0 | 112.1 | N344 L347 Y388 V389 R390 Q395 I396 | N344-K392 HydrophobicContact CB-CG 4.47Å; N344-K392 WeakPolarHBondContact OD1-CB 3.27Å; L347-K392 HydrophobicContact CB-CG 4.27Å; Y388-K392 WeakPolarHBondContact O-CB 3.41Å; Y388-K392 PolarHBondContact O-N 3.1Å; V389-K392 WeakPolarHBondContact O-CB 3.41Å; V389-K392 PolarHBondContact O-N 2.82Å; V389-K392 VanDerWaalsContact O-N 3.16Å; R390-K392 VanDerWaalsContact C-N 3.29Å; R390-K392 PolarHBondContact O-N 3.46Å; K392-Q395 VanDerWaalsContact NZ-OE1 3.09Å; K392-Q395 PolarHBondContact O-N 3.41Å; K392-I396 HydrophobicContact CD-CD1 4.5Å; K392-I396 HydrophobicContact CG-CD1 4.18Å; K392-I396 WeakPolarHBondContact O-CD1 3.23Å; K392-I396 VanDerWaalsContact O-CG1 3.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.27Å; K392-I396 PolarHBondContact O-N 2.87Å |
| 393 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L347 L378 H381 I382 V389 R390 I396 W397 | L347-A393 HydrophobicContact CD1-CB 4.33Å; L378-A393 HydrophobicContact CD1-CB 3.96Å; H381-A393 HydrophobicContact CB-CB 4.18Å; I382-A393 HydrophobicContact CG1-CB 4.4Å; V389-A393 PolarHBondContact O-N 3.45Å; R390-A393 PolarHBondContact O-N 2.84Å; A393-I396 PolarHBondContact O-N 3.23Å; A393-W397 PolarHBondContact O-N 3.44Å |
| 394 | L | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.7 | -68.1 | 162.3 | 0 | 0 | 0 | 112.3 | I382 R390 I396 W397 H398 L418 A424 A432 N435 A436 T439 | I382-L394 HydrophobicContact CD1-CD2 4.15Å; I382-L394 HydrophobicContact CG1-CD2 4.14Å; I382-L394 HydrophobicContact CG1-CG 4.47Å; I382-L394 HydrophobicContact CG2-CD2 4.3Å; R390-L394 WeakPolarHBondContact O-CB 3.42Å; R390-L394 WeakPolarHBondContact O-CD1 3.18Å; R390-L394 VanDerWaalsContact O-CG 3.32Å; R390-L394 WeakPolarHBondContact O-CG 3.29Å; R390-L394 PolarHBondContact O-N 3.27Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.08Å; L394-W397 WeakPolarHBondContact O-CB 3.35Å; L394-W397 PolarHBondContact O-N 3.19Å; L394-H398 PolarHBondContact O-N 3.05Å; L394-L418 HydrophobicContact CD2-CD2 3.49Å; L394-L418 VanDerWaalsContact CD2-CD2 3.49Å; L394-A424 HydrophobicContact CD1-CB 3.85Å; L394-A424 HydrophobicContact CD2-CB 3.96Å; L394-A432 HydrophobicContact CD1-CB 3.91Å; L394-A432 WeakPolarHBondContact CD1-O 3.35Å; L394-N435 HydrophobicContact CB-CB 3.68Å; L394-A436 HydrophobicContact CD1-CB 4.26Å; L394-A436 HydrophobicContact CD2-CB 4.31Å; L394-T439 PolarHBondContact O-OG1 3.03Å |
| 395 | Q | 98.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 173.9 | -179.8 | -175.6 | 53.1 | 0 | 0 | 111.7 | A391 K392 H398 N399 | A391-Q395 VanDerWaalsContact O-CB 3.3Å; A391-Q395 WeakPolarHBondContact O-CB 3.41Å; A391-Q395 PolarHBondContact O-N 2.88Å; K392-Q395 VanDerWaalsContact NZ-OE1 3.09Å; K392-Q395 PolarHBondContact O-N 3.41Å; Q395-H398 PolarHBondContact O-N 2.94Å; Q395-N399 VanDerWaalsContact O-CG 3.27Å; Q395-N399 PolarHBondContact O-N 3.2Å; Q395-N399 VanDerWaalsContact O-N 3.08Å; Q395-N399 PolarHBondContact O-OD1 3.02Å |
| 396 | I | 97.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 177.2 | -63.4 | 157.1 | 0 | 0 | 0 | 109.8 | L347 L378 K392 A393 L394 H398 N399 I400 | L347-I396 HydrophobicContact CB-CD1 3.94Å; L347-I396 WeakPolarHBondContact O-CD1 3.49Å; L378-I396 HydrophobicContact CD1-CB 3.98Å; L378-I396 HydrophobicContact CD1-CD1 3.88Å; L378-I396 HydrophobicContact CD1-CG2 4.07Å; L378-I396 HydrophobicContact CD2-CB 4.05Å; L378-I396 HydrophobicContact CD2-CG2 3.59Å; K392-I396 HydrophobicContact CD-CD1 4.5Å; K392-I396 HydrophobicContact CG-CD1 4.18Å; K392-I396 WeakPolarHBondContact O-CD1 3.23Å; K392-I396 VanDerWaalsContact O-CG1 3.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.27Å; K392-I396 PolarHBondContact O-N 2.87Å; A393-I396 PolarHBondContact O-N 3.23Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.08Å; I396-H398 PolarHBondContact O-N 3.46Å; I396-N399 WeakPolarHBondContact O-CB 3.49Å; I396-N399 PolarHBondContact O-N 3.13Å; I396-N399 VanDerWaalsContact O-N 3.14Å; I396-I400 HydrophobicContact CG2-CG1 4.39Å; I396-I400 WeakPolarHBondContact O-CG1 3.35Å; I396-I400 PolarHBondContact O-N 2.78Å |
| 397 | W | 97 | Very high | 93.8 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -48.1 | 173.6 | -85.2 | 117.5 | 0 | 0 | 0 | 112.3 | M375 L378 Q379 A393 L394 N399 I400 V401 L406 L414 T439 | M375-W397 HydrophobicContact CB-CH2 3.87Å; M375-W397 HydrophobicContact CB-CZ2 4.37Å; M375-W397 HydrophobicContact CG-CH2 3.88Å; M375-W397 HydrophobicContact CG-CZ3 4.35Å; M375-W397 HydrophobicContact SD-CH2 4.46Å; L378-W397 HydrophobicContact CB-CZ2 4.31Å; L378-W397 HydrophobicContact CD2-CD2 3.71Å; L378-W397 HydrophobicContact CD2-CE3 4.36Å; L378-W397 HydrophobicContact CD2-CG 3.8Å; L378-W397 HydrophobicContact CD2-CZ2 4.19Å; L378-W397 HydrophobicContact CG-CD2 4.37Å; L378-W397 HydrophobicContact CG-CG 4.3Å; L378-W397 HydrophobicContact CG-CZ2 4.42Å; Q379-W397 HydrophobicContact CB-CZ2 4.3Å; A393-W397 PolarHBondContact O-N 3.44Å; L394-W397 WeakPolarHBondContact O-CB 3.35Å; L394-W397 PolarHBondContact O-N 3.19Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.38Å; W397-I400 PolarHBondContact O-N 3.41Å; W397-I400 VanDerWaalsContact O-N 3.12Å; W397-V401 WeakPolarHBondContact O-CG2 3.49Å; W397-V401 PolarHBondContact O-N 3.14Å; W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CH2-CD1 4.48Å; W397-L406 HydrophobicContact CZ3-CD1 3.6Å; W397-L414 HydrophobicContact CB-CD2 4.44Å; W397-L414 HydrophobicContact CD2-CD1 3.87Å; W397-L414 HydrophobicContact CD2-CD2 3.94Å; W397-L414 HydrophobicContact CE3-CD1 4.34Å; W397-L414 HydrophobicContact CE3-CD2 3.63Å; W397-L414 HydrophobicContact CG-CD1 4Å; W397-L414 HydrophobicContact CG-CD2 4.33Å; W397-L414 HydrophobicContact CZ3-CD2 4.18Å; W397-T439 HydrophobicContact CB-CG2 4.15Å |
| 398 | H | 96.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.6 | -48.1 | 173.4 | 170.3 | -105.7 | 0 | 0 | 0 | 111.6 | L394 Q395 I396 I400 V401 V402 K438 T439 | L394-H398 PolarHBondContact O-N 3.05Å; Q395-H398 PolarHBondContact O-N 2.94Å; I396-H398 PolarHBondContact O-N 3.46Å; H398-I400 PolarHBondContact O-N 2.95Å; H398-V401 PolarHBondContact O-N 2.87Å; H398-V402 WeakPolarHBondContact NE2-CG2 3.33Å; H398-V402 WeakPolarHBondContact O-CG2 3.48Å; H398-V402 PolarHBondContact O-N 2.86Å; H398-K438 PolarHBondContact CD2-O 3.43Å; H398-T439 WeakPolarHBondContact CB-OG1 3.14Å; H398-T439 PolarHBondContact N-OG1 3.02Å |
| 399 | N | 95.3 | Very high | 92 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.7 | -67.2 | -9.9 | 0 | 0 | 0 | 112.2 | Q395 I396 W397 V401 V402 L403 | Q395-N399 VanDerWaalsContact O-CG 3.27Å; Q395-N399 PolarHBondContact O-N 3.2Å; Q395-N399 VanDerWaalsContact O-N 3.08Å; Q395-N399 PolarHBondContact O-OD1 3.02Å; I396-N399 WeakPolarHBondContact O-CB 3.49Å; I396-N399 PolarHBondContact O-N 3.13Å; I396-N399 VanDerWaalsContact O-N 3.14Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.38Å; N399-V401 VanDerWaalsContact C-N 3.33Å; N399-V402 PolarHBondContact O-N 3.31Å; N399-L403 WeakPolarHBondContact O-CB 3.41Å; N399-L403 WeakPolarHBondContact O-CG 3.18Å; N399-L403 PolarHBondContact O-N 2.88Å |
| 400 | I | 93.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 175.8 | -66 | -59.9 | 0 | 0 | 0 | 111.3 | L354 P355 A358 M375 I396 W397 H398 G405 | L354-I400 HydrophobicContact CB-CD1 4.11Å; L354-I400 HydrophobicContact CD2-CD1 3.77Å; L354-I400 HydrophobicContact CD2-CG1 3.79Å; L354-I400 HydrophobicContact CG-CD1 3.71Å; L354-I400 HydrophobicContact CG-CG1 4.31Å; P355-I400 HydrophobicContact CG-CD1 4.05Å; A358-I400 HydrophobicContact CB-CD1 4.26Å; A358-I400 HydrophobicContact CB-CG2 4.47Å; M375-I400 HydrophobicContact CE-CG2 4.31Å; I396-I400 HydrophobicContact CG2-CG1 4.39Å; I396-I400 WeakPolarHBondContact O-CG1 3.35Å; I396-I400 PolarHBondContact O-N 2.78Å; W397-I400 PolarHBondContact O-N 3.41Å; W397-I400 VanDerWaalsContact O-N 3.12Å; H398-I400 PolarHBondContact O-N 2.95Å; I400-G405 WeakPolarHBondContact O-CA 3.26Å; I400-G405 PolarHBondContact O-N 2.87Å |
| 401 | V | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -60 | 173.3 | 175 | 0 | 0 | 0 | 0 | 108.8 | W397 H398 N399 L403 G404 L406 L414 T439 A442 M443 Q446 | W397-V401 WeakPolarHBondContact O-CG2 3.49Å; W397-V401 PolarHBondContact O-N 3.14Å; H398-V401 PolarHBondContact O-N 2.87Å; N399-V401 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 3.49Å; V401-G404 WeakPolarHBondContact O-CA 3.47Å; V401-G404 PolarHBondContact O-N 3.31Å; V401-L406 HydrophobicContact CG2-CB 4.24Å; V401-L406 HydrophobicContact CG2-CD2 3.83Å; V401-L414 HydrophobicContact CG2-CD2 4.28Å; V401-T439 HydrophobicContact CG2-CG2 3.99Å; V401-A442 HydrophobicContact CB-CB 4.45Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V401-M443 HydrophobicContact CB-CG 4.41Å; V401-M443 HydrophobicContact CG1-CB 4.4Å; V401-M443 HydrophobicContact CG1-CG 3.75Å; V401-M443 HydrophobicContact CG2-CG 3.73Å; V401-M443 HydrophobicContact CG2-SD 4.49Å; V401-Q446 PolarHBondContact O-NE2 3.22Å; V401-Q446 PolarHBondContact O-OE1 3.03Å |
| 402 | V | 91.8 | Very high | 90.5 | Very high | 85 Ų | 85 | 32.8 Ų | 32.8 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52 | -35.2 | -177.9 | 170.8 | 0 | 0 | 0 | 0 | 113.3 | H398 N399 G404 A442 | H398-V402 WeakPolarHBondContact NE2-CG2 3.33Å; H398-V402 WeakPolarHBondContact O-CG2 3.48Å; H398-V402 PolarHBondContact O-N 2.86Å; N399-V402 PolarHBondContact O-N 3.31Å; V402-G404 PolarHBondContact O-N 2.87Å; V402-A442 HydrophobicContact CG2-CB 4.09Å |
| 403 | L | 89.2 | Confident | 90.2 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5 | 176.7 | -70.2 | 172.1 | 0 | 0 | 0 | 114.9 | P355 N399 V401 G405 | P355-L403 HydrophobicContact CB-CD1 4.24Å; P355-L403 HydrophobicContact CG-CD1 4.17Å; N399-L403 WeakPolarHBondContact O-CB 3.41Å; N399-L403 WeakPolarHBondContact O-CG 3.18Å; N399-L403 PolarHBondContact O-N 2.88Å; V401-L403 PolarHBondContact O-N 3.49Å; L403-G405 VanDerWaalsContact C-N 3.3Å |
| 404 | G | 85.1 | Confident | 90 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 22.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V401 V402 | V401-G404 WeakPolarHBondContact O-CA 3.47Å; V401-G404 PolarHBondContact O-N 3.31Å; V402-G404 PolarHBondContact O-N 2.87Å |
| 405 | G | 85.9 | Confident | 89.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -94.4 | -0.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | A358 I400 L403 P407 | A358-G405 WeakPolarHBondContact O-CA 3.49Å; I400-G405 WeakPolarHBondContact O-CA 3.26Å; I400-G405 PolarHBondContact O-N 2.87Å; L403-G405 VanDerWaalsContact C-N 3.3Å; G405-P407 VanDerWaalsContact O-CD 3.28Å; G405-P407 WeakPolarHBondContact O-CD 3.08Å | ||
| 406 | L | 88.6 | Confident | 89.5 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -80.5 | 114.7 | -179.7 | -179.6 | 64.3 | 0 | 0 | 0 | 110.5 | W397 V401 R410 Q411 L414 M443 | W397-L406 HydrophobicContact CE3-CD1 4.23Å; W397-L406 HydrophobicContact CH2-CD1 4.48Å; W397-L406 HydrophobicContact CZ3-CD1 3.6Å; V401-L406 HydrophobicContact CG2-CB 4.24Å; V401-L406 HydrophobicContact CG2-CD2 3.83Å; L406-R410 HydrophobicContact CD1-CB 3.89Å; L406-Q411 HydrophobicContact CD2-CB 4.5Å; L406-Q411 HydrophobicContact CD2-CG 3.82Å; L406-Q411 HydrophobicContact CG-CG 4.11Å; L406-L414 HydrophobicContact CD1-CD2 4.17Å; L406-L414 HydrophobicContact CD2-CD2 3.9Å; L406-M443 HydrophobicContact CD2-CE 3.87Å; L406-M443 HydrophobicContact CD2-CG 4.17Å; L406-M443 HydrophobicContact CD2-SD 4.39Å | ||
| 407 | P | 82.3 | Confident | 89.5 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | trans | -63.4 | 141.3 | 177.1 | -21.1 | 34.4 | 0 | 0 | 0 | 111 | M375 G405 S409 R410 Q411 | M375-P407 HydrophobicContact CE-CG 4.08Å; M375-P407 HydrophobicContact SD-CG 4.13Å; G405-P407 VanDerWaalsContact O-CD 3.28Å; G405-P407 WeakPolarHBondContact O-CD 3.08Å; P407-S409 PolarHBondContact O-N 2.86Å; P407-S409 VanDerWaalsContact O-N 3.17Å; P407-R410 WeakPolarHBondContact O-CA 3.32Å; P407-R410 PolarHBondContact O-N 3.15Å; P407-Q411 PolarHBondContact O-N 3.2Å | ||
| 408 | I | 74.5 | Confident | 89.5 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53 | -41.8 | 179.9 | -63.3 | 164.6 | 0 | 0 | 0 | 111.7 | R410 Q411 Y655 | I408-R410 PolarHBondContact O-N 3.47Å; I408-Q411 WeakPolarHBondContact O-CB 3.27Å; I408-Q411 PolarHBondContact O-N 3.44Å; I408-Y655 HydrophobicContact CD1-CD2 4.38Å; I408-Y655 HydrophobicContact CD1-CE2 4.05Å; I408-Y655 HydrophobicContact CG2-CD2 3.69Å; I408-Y655 HydrophobicContact CG2-CE2 3.63Å |
| 409 | S | 76.2 | Confident | 89.5 | Confident | 64 Ų | 64 | 34 Ų | 34 | 45% | 0.448 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.8 | -4.4 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | P407 | P407-S409 PolarHBondContact O-N 2.86Å; P407-S409 VanDerWaalsContact O-N 3.17Å |
| 410 | R | 87 | Confident | 89.4 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -114.9 | -6.6 | 174.5 | -68.2 | -166.5 | 177.1 | -101.6 | 1.8 | 113.3 | D372 M375 D376 L406 P407 I408 K413 L414 | D372-R410 PolarHBondContact O-NH2 3.43Å; D372-R410 VanDerWaalsContact O-NH2 3.17Å; D372-R410 IonicContact OD1-NE 2.9Å; D372-R410 IonicContact OD1-NH2 3Å; M375-R410 VanDerWaalsContact SD-CD 3.56Å; D376-R410 IonicContact OD1-CZ 3.64Å; D376-R410 VanDerWaalsContact OD1-CZ 3.24Å; D376-R410 IonicContact OD1-NH1 3.03Å; D376-R410 PolarHBondContact OD1-NH1 2.74Å; D376-R410 IonicContact OD1-NH2 3.59Å; D376-R410 PolarHBondContact OD1-NH2 3.24Å; D376-R410 IonicContact OD2-NH2 2.65Å; L406-R410 HydrophobicContact CD1-CB 3.89Å; P407-R410 WeakPolarHBondContact O-CA 3.32Å; P407-R410 PolarHBondContact O-N 3.15Å; I408-R410 PolarHBondContact O-N 3.47Å; R410-K413 PolarHBondContact O-N 3.39Å; R410-L414 WeakPolarHBondContact O-CB 3.07Å; R410-L414 PolarHBondContact O-N 3.35Å |
| 411 | Q | 87.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 38 Ų | 38 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -53.6 | 179.5 | -72.8 | -180 | -3.5 | 0 | 0 | 111.5 | L406 P407 I408 K413 L414 A415 M443 F662 | L406-Q411 HydrophobicContact CD2-CB 4.5Å; L406-Q411 HydrophobicContact CD2-CG 3.82Å; L406-Q411 HydrophobicContact CG-CG 4.11Å; P407-Q411 PolarHBondContact O-N 3.2Å; I408-Q411 WeakPolarHBondContact O-CB 3.27Å; I408-Q411 PolarHBondContact O-N 3.44Å; Q411-K413 PolarHBondContact O-N 2.9Å; Q411-L414 PolarHBondContact O-N 3.12Å; Q411-A415 WeakPolarHBondContact O-CB 3.44Å; Q411-A415 PolarHBondContact O-N 3.4Å; Q411-M443 HydrophobicContact CB-CE 4.45Å; Q411-M443 WeakPolarHBondContact O-CE 3.21Å; Q411-F662 HydrophobicContact CB-CD2 4.38Å |
| 412 | S | 87.5 | Confident | 89.2 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | L414 A415 A416 E658 S661 | S412-L414 PolarHBondContact O-N 2.91Å; S412-A415 PolarHBondContact O-N 3Å; S412-A416 WeakPolarHBondContact O-CB 3.25Å; S412-A416 PolarHBondContact O-N 3.25Å; S412-E658 VanDerWaalsContact CB-OE2 3.32Å; S412-E658 WeakPolarHBondContact CB-OE2 3.4Å; S412-S661 VanDerWaalsContact OG-CB 3.27Å; S412-S661 WeakPolarHBondContact OG-CB 3.48Å; S412-S661 PolarHBondContact OG-OG 3.42Å |
| 413 | K | 90.4 | Very high | 89.3 | Confident | 114 Ų | 114 | 42.7 Ų | 42.7 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 179.1 | -64.9 | 178.6 | -176.3 | 173.1 | 0 | 113 | R410 Q411 L417 | R410-K413 PolarHBondContact O-N 3.39Å; Q411-K413 PolarHBondContact O-N 2.9Å; K413-L417 WeakPolarHBondContact O-CG 3.47Å |
| 414 | L | 94.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -44.7 | 177.3 | -178.7 | 59.9 | 0 | 0 | 0 | 110.4 | I382 W397 V401 L406 R410 Q411 S412 A416 L417 L418 T439 M443 | I382-L414 HydrophobicContact CD1-CD1 4.03Å; W397-L414 HydrophobicContact CB-CD2 4.44Å; W397-L414 HydrophobicContact CD2-CD1 3.87Å; W397-L414 HydrophobicContact CD2-CD2 3.94Å; W397-L414 HydrophobicContact CE3-CD1 4.34Å; W397-L414 HydrophobicContact CE3-CD2 3.63Å; W397-L414 HydrophobicContact CG-CD1 4Å; W397-L414 HydrophobicContact CG-CD2 4.33Å; W397-L414 HydrophobicContact CZ3-CD2 4.18Å; V401-L414 HydrophobicContact CG2-CD2 4.28Å; L406-L414 HydrophobicContact CD1-CD2 4.17Å; L406-L414 HydrophobicContact CD2-CD2 3.9Å; R410-L414 WeakPolarHBondContact O-CB 3.07Å; R410-L414 PolarHBondContact O-N 3.35Å; Q411-L414 PolarHBondContact O-N 3.12Å; S412-L414 PolarHBondContact O-N 2.91Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 3.03Å; L414-L417 WeakPolarHBondContact O-CB 3.45Å; L414-L417 PolarHBondContact O-N 3.01Å; L414-L418 HydrophobicContact CG-CD1 4.29Å; L414-L418 WeakPolarHBondContact O-CG 3.48Å; L414-L418 PolarHBondContact O-N 3.41Å; L414-T439 HydrophobicContact CD2-CG2 4.04Å; L414-M443 HydrophobicContact CB-CE 4.08Å; L414-M443 HydrophobicContact CD2-CE 4.21Å; L414-M443 HydrophobicContact CD2-SD 3.84Å; L414-M443 HydrophobicContact CG-CE 4.24Å; L414-M443 HydrophobicContact CG-SD 4.08Å |
| 415 | A | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.1 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q411 S412 L417 L418 V419 L440 M443 F662 H665 | Q411-A415 WeakPolarHBondContact O-CB 3.44Å; Q411-A415 PolarHBondContact O-N 3.4Å; S412-A415 PolarHBondContact O-N 3Å; A415-L417 PolarHBondContact O-N 3.37Å; A415-L417 VanDerWaalsContact O-N 3.15Å; A415-L418 PolarHBondContact O-N 3.48Å; A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 2.87Å; A415-V419 VanDerWaalsContact O-N 3.15Å; A415-L440 HydrophobicContact CB-CD1 4.49Å; A415-M443 HydrophobicContact CB-CE 4.07Å; A415-F662 HydrophobicContact CB-CD2 3.67Å; A415-F662 HydrophobicContact CB-CE2 3.74Å; A415-H665 HydrophobicContact CB-CB 3.85Å |
| 416 | A | 94 | Very high | 90.6 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -24.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S412 L414 | S412-A416 WeakPolarHBondContact O-CB 3.25Å; S412-A416 PolarHBondContact O-N 3.25Å; L414-A416 VanDerWaalsContact C-N 3.27Å; L414-A416 PolarHBondContact O-N 3.03Å |
| 417 | L | 96.9 | Very high | 91 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -89.3 | -15.2 | 176.8 | -61.8 | 176.1 | 0 | 0 | 0 | 113 | Q379 I382 K413 L414 A415 G423 A424 | Q379-L417 HydrophobicContact CG-CD1 3.28Å; I382-L417 HydrophobicContact CD1-CB 4.48Å; I382-L417 HydrophobicContact CD1-CD1 4.13Å; K413-L417 WeakPolarHBondContact O-CG 3.47Å; L414-L417 WeakPolarHBondContact O-CB 3.45Å; L414-L417 PolarHBondContact O-N 3.01Å; A415-L417 PolarHBondContact O-N 3.37Å; A415-L417 VanDerWaalsContact O-N 3.15Å; L417-G423 WeakPolarHBondContact O-CA 3.41Å; L417-A424 PolarHBondContact O-N 3.44Å |
| 418 | L | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -92.1 | -40.2 | -179 | -60.1 | 179.7 | 0 | 0 | 0 | 111.6 | L394 L414 A415 G423 A424 M425 A436 T439 L440 M443 | L394-L418 HydrophobicContact CD2-CD2 3.49Å; L394-L418 VanDerWaalsContact CD2-CD2 3.49Å; L414-L418 HydrophobicContact CG-CD1 4.29Å; L414-L418 WeakPolarHBondContact O-CG 3.48Å; L414-L418 PolarHBondContact O-N 3.41Å; A415-L418 PolarHBondContact O-N 3.48Å; L418-G423 CarbonylContact O-C 3.52Å; L418-A424 HydrophobicContact CD2-CB 4.14Å; L418-A424 PolarHBondContact O-N 3.46Å; L418-M425 VanDerWaalsContact O-CB 3.3Å; L418-M425 WeakPolarHBondContact O-CB 3.27Å; L418-M425 VanDerWaalsContact O-CG 3.24Å; L418-M425 WeakPolarHBondContact O-CG 3.45Å; L418-M425 PolarHBondContact O-N 2.99Å; L418-A436 HydrophobicContact CD2-CB 3.92Å; L418-T439 HydrophobicContact CD1-CG2 3.81Å; L418-L440 HydrophobicContact CD1-CB 3.96Å; L418-L440 HydrophobicContact CD1-CD1 4.32Å; L418-M443 HydrophobicContact CD1-SD 3.9Å |
| 419 | V | 96.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -99.1 | 161.1 | -169 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | A415 G423 M425 L440 H665 T668 A669 D672 | A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 2.87Å; A415-V419 VanDerWaalsContact O-N 3.15Å; V419-G423 WeakPolarHBondContact O-CA 3.3Å; V419-M425 HydrophobicContact CG1-SD 4.22Å; V419-L440 HydrophobicContact CG1-CD1 4.42Å; V419-L440 HydrophobicContact CG1-CD2 3.41Å; V419-L440 VanDerWaalsContact CG1-CD2 3.41Å; V419-H665 HydrophobicContact CG2-CB 3.9Å; V419-T668 HydrophobicContact CB-CG2 4.26Å; V419-T668 HydrophobicContact CG2-CG2 4.17Å; V419-A669 HydrophobicContact CG1-CB 3.72Å; V419-D672 WeakPolarHBondContact CA-OD2 3.31Å; V419-D672 WeakPolarHBondContact CB-OD2 3.49Å |
| 420 | G | 93.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 42 Ų | 42 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 82 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L422 G423 D672 | G420-L422 PolarHBondContact O-N 3.17Å; G420-G423 WeakPolarHBondContact O-CA 2.9Å; G420-G423 PolarHBondContact O-N 3.35Å; G420-D672 PolarHBondContact N-OD2 3.34Å |
| 421 | N | 90.1 | Very high | 93.9 | Very high | 151 Ų | 151 | 43.8 Ų | 43.8 | 81% | 0.807 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.3 | -171.9 | -62 | -0.4 | 0 | 0 | 0 | 114.9 | ||
| 422 | L | 90.8 | Very high | 94.4 | Very high | 177 Ų | 177 | 43 Ų | 43 | 93% | 0.927 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 1.9 | 176.8 | -60.4 | 177.9 | 0 | 0 | 0 | 112.6 | G420 | G420-L422 PolarHBondContact O-N 3.17Š|
| 423 | G | 95.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.1 | 159.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L417 L418 V419 G420 M425 M426 | L417-G423 WeakPolarHBondContact O-CA 3.41Å; L418-G423 CarbonylContact O-C 3.52Å; V419-G423 WeakPolarHBondContact O-CA 3.3Å; G420-G423 WeakPolarHBondContact O-CA 2.9Å; G420-G423 PolarHBondContact O-N 3.35Å; G423-M425 PolarHBondContact O-N 3.36Å; G423-M425 VanDerWaalsContact O-N 3.12Å; G423-M426 PolarHBondContact O-N 3.44Å |
| 424 | A | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.9 | -14.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I382 L394 L417 L418 M426 D427 A436 | I382-A424 HydrophobicContact CG2-CB 4.28Å; L394-A424 HydrophobicContact CD1-CB 3.85Å; L394-A424 HydrophobicContact CD2-CB 3.96Å; L417-A424 PolarHBondContact O-N 3.44Å; L418-A424 HydrophobicContact CD2-CB 4.14Å; L418-A424 PolarHBondContact O-N 3.46Å; A424-M426 VanDerWaalsContact C-N 3.28Å; A424-D427 VanDerWaalsContact O-CB 3.24Å; A424-D427 WeakPolarHBondContact O-CB 3.09Å; A424-D427 PolarHBondContact O-N 3.04Å; A424-A436 HydrophobicContact CB-CB 3.74Å |
| 425 | M | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -71.4 | -23 | 170.9 | -71.7 | 175.4 | 59.5 | 0 | 0 | 112.9 | L418 V419 G423 D427 R433 A436 L440 D672 F673 M676 | L418-M425 VanDerWaalsContact O-CB 3.3Å; L418-M425 WeakPolarHBondContact O-CB 3.27Å; L418-M425 VanDerWaalsContact O-CG 3.24Å; L418-M425 WeakPolarHBondContact O-CG 3.45Å; L418-M425 PolarHBondContact O-N 2.99Å; V419-M425 HydrophobicContact CG1-SD 4.22Å; G423-M425 PolarHBondContact O-N 3.36Å; G423-M425 VanDerWaalsContact O-N 3.12Å; M425-D427 VanDerWaalsContact C-N 3.35Å; M425-R433 WeakPolarHBondContact O-CD 3.21Å; M425-R433 VanDerWaalsContact O-CG 3.26Å; M425-R433 WeakPolarHBondContact O-CG 3.2Å; M425-A436 HydrophobicContact CG-CB 3.93Å; M425-L440 HydrophobicContact SD-CD2 3.46Å; M425-L440 WeakPolarHBondContact SD-CD2 3.28Å; M425-D672 HydrophobicContact CE-CB 3.75Å; M425-F673 HydrophobicContact CE-CD1 3.9Å; M425-F673 HydrophobicContact CE-CD2 3.57Å; M425-F673 HydrophobicContact CE-CE1 3.79Å; M425-F673 HydrophobicContact CE-CE2 3.4Å; M425-F673 HydrophobicContact CE-CG 3.84Å; M425-F673 HydrophobicContact CE-CZ 3.55Å; M425-F673 HydrophobicContact SD-CE2 4.14Å; M425-F673 HydrophobicContact SD-CZ 4.34Å; M425-M676 HydrophobicContact CE-SD 3.94Å |
| 426 | M | 94.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -99.9 | 20.3 | 176.2 | -60.3 | -58.1 | 138.2 | 0 | 0 | 112.3 | G423 A424 D672 M676 | G423-M426 PolarHBondContact O-N 3.44Å; A424-M426 VanDerWaalsContact C-N 3.28Å; M426-D672 HydrophobicContact CE-CB 3.63Å; M426-M676 HydrophobicContact CE-CG 4.27Å; M426-M676 HydrophobicContact CE-SD 4.42Å |
| 427 | D | 96.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | trans | -66.5 | 146.8 | -178.6 | -160.6 | -84.6 | 0 | 0 | 0 | 112.9 | R390 A424 M425 S429 A432 R433 | R390-D427 VanDerWaalsContact CZ-CG 3.43Å; R390-D427 IonicContact CZ-OD1 2.68Å; R390-D427 VanDerWaalsContact CZ-OD1 3.28Å; R390-D427 IonicContact CZ-OD2 3.96Å; R390-D427 IonicContact NE-OD1 3.58Å; R390-D427 IonicContact NE-OD2 2.94Å; R390-D427 PolarHBondContact NE-OD2 3.15Å; R390-D427 IonicContact NH1-OD1 2.85Å; R390-D427 IonicContact NH1-OD2 3.59Å; R390-D427 PolarHBondContact NH1-OD2 3.28Å; R390-D427 IonicContact NH2-OD1 2.71Å; R390-D427 PolarHBondContact NH2-OD1 3.4Å; R390-D427 IonicContact NH2-OD2 3.09Å; R390-D427 PolarHBondContact NH2-OD2 3.36Å; A424-D427 VanDerWaalsContact O-CB 3.24Å; A424-D427 WeakPolarHBondContact O-CB 3.09Å; A424-D427 PolarHBondContact O-N 3.04Å; M425-D427 VanDerWaalsContact C-N 3.35Å; D427-S429 VanDerWaalsContact C-N 3.27Å; D427-S429 PolarHBondContact O-N 3.4Å; D427-S429 WeakPolarHBondContact OD1-CA 3.07Å; D427-S429 VanDerWaalsContact OD1-CB 3.23Å; D427-S429 WeakPolarHBondContact OD1-CB 3.36Å; D427-S429 PolarHBondContact OD1-N 3.35Å; D427-A432 HydrophobicContact CB-CB 3.91Å; D427-A432 WeakPolarHBondContact OD1-CB 3.46Å; D427-R433 HydrophobicContact CB-CG 3.85Å; D427-R433 WeakPolarHBondContact O-CD 3.25Å; D427-R433 WeakPolarHBondContact O-CG 3.31Å; D427-R433 PolarHBondContact O-NH1 3.44Å | ||
| 428 | V | 94.5 | Very high | 95.9 | Very high | 134 Ų | 134 | 42.6 Ų | 42.6 | 81% | 0.812 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -62.1 | -36 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | A430 R433 | V428-A430 PolarHBondContact O-N 3.22Å; V428-R433 PolarHBondContact O-NH1 3.34Å; V428-R433 VanDerWaalsContact O-NH1 3.11Å |
| 429 | S | 95 | Very high | 95.9 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -77.2 | 114 | 178 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | D427 S431 A432 R433 | D427-S429 VanDerWaalsContact C-N 3.27Å; D427-S429 PolarHBondContact O-N 3.4Å; D427-S429 WeakPolarHBondContact OD1-CA 3.07Å; D427-S429 VanDerWaalsContact OD1-CB 3.23Å; D427-S429 WeakPolarHBondContact OD1-CB 3.36Å; D427-S429 PolarHBondContact OD1-N 3.35Å; S429-S431 PolarHBondContact O-N 3.42Å; S429-S431 VanDerWaalsContact O-N 3.15Å; S429-S431 PolarHBondContact OG-N 3.03Å; S429-A432 WeakPolarHBondContact O-CA 3.41Å; S429-A432 WeakPolarHBondContact O-CB 3.3Å; S429-A432 PolarHBondContact O-N 3.45Å; S429-A432 PolarHBondContact OG-N 3.48Å; S429-R433 PolarHBondContact O-N 3.29Å |
| 430 | A | 95.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.7 | -32.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V428 K434 T681 | V428-A430 PolarHBondContact O-N 3.22Å; A430-K434 VanDerWaalsContact O-CB 3.25Å; A430-K434 WeakPolarHBondContact O-CB 3.13Å; A430-K434 PolarHBondContact O-N 3.1Å; A430-T681 HydrophobicContact CB-CG2 4.3Å |
| 431 | S | 96.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 41.9 Ų | 41.9 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.1 | -37.7 | 175 | -168 | 0 | 0 | 0 | 0 | 112.1 | S429 N435 | S429-S431 PolarHBondContact O-N 3.42Å; S429-S431 VanDerWaalsContact O-N 3.15Å; S429-S431 PolarHBondContact OG-N 3.03Å; S431-N435 PolarHBondContact O-N 2.98Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 2.9Å |
| 432 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -48.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R390 A391 L394 D427 S429 K434 N435 A436 | R390-A432 HydrophobicContact CB-CB 4.44Å; A391-A432 HydrophobicContact CB-CB 4.32Å; L394-A432 HydrophobicContact CD1-CB 3.91Å; L394-A432 WeakPolarHBondContact CD1-O 3.35Å; D427-A432 HydrophobicContact CB-CB 3.91Å; D427-A432 WeakPolarHBondContact OD1-CB 3.46Å; S429-A432 WeakPolarHBondContact O-CA 3.41Å; S429-A432 WeakPolarHBondContact O-CB 3.3Å; S429-A432 PolarHBondContact O-N 3.45Å; S429-A432 PolarHBondContact OG-N 3.48Å; A432-K434 PolarHBondContact O-N 3.23Å; A432-N435 PolarHBondContact O-N 3.43Å; A432-A436 WeakPolarHBondContact O-CB 3.31Å; A432-A436 PolarHBondContact O-N 3.23Å |
| 433 | R | 97.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 27 Ų | 27 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53 | -52.5 | 174.8 | -63.6 | -162.1 | -61.5 | -89.8 | 10.8 | 112 | M425 D427 V428 S429 N435 A436 C437 T681 D684 | M425-R433 WeakPolarHBondContact O-CD 3.21Å; M425-R433 VanDerWaalsContact O-CG 3.26Å; M425-R433 WeakPolarHBondContact O-CG 3.2Å; D427-R433 HydrophobicContact CB-CG 3.85Å; D427-R433 WeakPolarHBondContact O-CD 3.25Å; D427-R433 WeakPolarHBondContact O-CG 3.31Å; D427-R433 PolarHBondContact O-NH1 3.44Å; V428-R433 PolarHBondContact O-NH1 3.34Å; V428-R433 VanDerWaalsContact O-NH1 3.11Å; S429-R433 PolarHBondContact O-N 3.29Å; R433-N435 VanDerWaalsContact C-N 3.34Å; R433-N435 PolarHBondContact O-N 3.32Å; R433-A436 WeakPolarHBondContact O-CB 3.45Å; R433-A436 PolarHBondContact O-N 3.01Å; R433-C437 PolarHBondContact O-N 3.43Å; R433-C437 PolarHBondContact O-SG 3.47Å; R433-T681 PolarHBondContact NH2-OG1 3.22Å; R433-D684 IonicContact CZ-OD1 3.51Å; R433-D684 IonicContact CZ-OD2 2.73Å; R433-D684 VanDerWaalsContact CZ-OD2 3.3Å; R433-D684 IonicContact NE-OD1 3.6Å; R433-D684 PolarHBondContact NE-OD1 3.29Å; R433-D684 IonicContact NE-OD2 3.69Å; R433-D684 PolarHBondContact NE-OD2 3.02Å; R433-D684 IonicContact NH2-OD1 2.63Å; R433-D684 IonicContact NH2-OD2 3.84Å; R433-D684 PolarHBondContact NH2-OD2 2.89Å |
| 434 | K | 98.2 | Very high | 95.6 | Very high | 82 Ų | 82 | 26.9 Ų | 26.9 | 36% | 0.357 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.5 | -49 | 177.6 | 178.7 | 174.5 | -176.8 | 169.9 | 0 | 112.5 | A430 A432 K438 E687 | A430-K434 VanDerWaalsContact O-CB 3.25Å; A430-K434 WeakPolarHBondContact O-CB 3.13Å; A430-K434 PolarHBondContact O-N 3.1Å; A432-K434 PolarHBondContact O-N 3.23Å; K434-K438 WeakPolarHBondContact O-CG 3.32Å; K434-K438 PolarHBondContact O-N 3.45Å; K434-E687 VanDerWaalsContact CE-OE1 3.24Å; K434-E687 WeakPolarHBondContact CE-OE1 3.24Å; K434-E687 HydrophobicContact CG-CG 4.09Å |
| 435 | N | 98.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.4 | -33.1 | 179.8 | -72.3 | -69.3 | 0 | 0 | 0 | 112.2 | L394 S431 A432 R433 T439 | L394-N435 HydrophobicContact CB-CB 3.68Å; S431-N435 PolarHBondContact O-N 2.98Å; S431-N435 VanDerWaalsContact O-N 3.16Å; S431-N435 PolarHBondContact O-ND2 2.9Å; A432-N435 PolarHBondContact O-N 3.43Å; R433-N435 VanDerWaalsContact C-N 3.34Å; R433-N435 PolarHBondContact O-N 3.32Å; N435-T439 WeakPolarHBondContact O-CB 3.36Å; N435-T439 PolarHBondContact O-N 3.12Å; N435-T439 PolarHBondContact O-OG1 3.19Å |
| 436 | A | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L394 L418 A424 M425 A432 R433 K438 T439 L440 | L394-A436 HydrophobicContact CD1-CB 4.26Å; L394-A436 HydrophobicContact CD2-CB 4.31Å; L418-A436 HydrophobicContact CD2-CB 3.92Å; A424-A436 HydrophobicContact CB-CB 3.74Å; M425-A436 HydrophobicContact CG-CB 3.93Å; A432-A436 WeakPolarHBondContact O-CB 3.31Å; A432-A436 PolarHBondContact O-N 3.23Å; R433-A436 WeakPolarHBondContact O-CB 3.45Å; R433-A436 PolarHBondContact O-N 3.01Å; A436-K438 PolarHBondContact O-N 2.94Å; A436-T439 WeakPolarHBondContact O-CB 3.09Å; A436-T439 PolarHBondContact O-N 3.01Å; A436-L440 PolarHBondContact O-N 3.21Å |
| 437 | C | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.8 | -51.3 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | R433 T439 L440 T441 F673 M676 E687 | R433-C437 PolarHBondContact O-N 3.43Å; R433-C437 PolarHBondContact O-SG 3.47Å; C437-T439 VanDerWaalsContact C-N 3.3Å; C437-T439 PolarHBondContact O-N 3.48Å; C437-L440 PolarHBondContact O-N 2.86Å; C437-T441 WeakPolarHBondContact O-CB 3Å; C437-T441 PolarHBondContact O-N 3.16Å; C437-T441 PolarHBondContact O-OG1 2.95Å; C437-F673 HydrophobicContact CB-CE1 3.71Å; C437-F673 HydrophobicContact CB-CZ 3.79Å; C437-F673 VanDerWaalsContact SG-CE1 3.59Å; C437-M676 VanDerWaalsContact SG-CE 3.51Å; C437-M676 VanDerWaalsContact SG-SD 3.67Å; C437-E687 HydrophobicContact CB-CB 3.84Å; C437-E687 HydrophobicContact CB-CG 4.48Å |
| 438 | K | 97.4 | Very high | 91.1 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.4 | -44.3 | 175.9 | -73.4 | -174 | -179.1 | -115.4 | 0 | 112.8 | H398 K434 A436 A442 E687 | H398-K438 PolarHBondContact CD2-O 3.43Å; K434-K438 WeakPolarHBondContact O-CG 3.32Å; K434-K438 PolarHBondContact O-N 3.45Å; A436-K438 PolarHBondContact O-N 2.94Å; K438-A442 WeakPolarHBondContact O-CB 3.44Å; K438-A442 PolarHBondContact O-N 3.26Å; K438-E687 VanDerWaalsContact CE-CD 3.41Å; K438-E687 WeakPolarHBondContact CE-OE1 3.24Å; K438-E687 VanDerWaalsContact CE-OE2 3.24Å; K438-E687 WeakPolarHBondContact CE-OE2 3.32Å; K438-E687 WeakPolarHBondContact CG-OE2 3.24Å; K438-E687 IonicContact NZ-OE1 2.64Å; K438-E687 PolarHBondContact NZ-OE1 3.43Å; K438-E687 IonicContact NZ-OE2 2.7Å |
| 439 | T | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110 | L394 W397 H398 V401 L414 L418 N435 A436 C437 A442 M443 | L394-T439 PolarHBondContact O-OG1 3.03Å; W397-T439 HydrophobicContact CB-CG2 4.15Å; H398-T439 WeakPolarHBondContact CB-OG1 3.14Å; H398-T439 PolarHBondContact N-OG1 3.02Å; V401-T439 HydrophobicContact CG2-CG2 3.99Å; L414-T439 HydrophobicContact CD2-CG2 4.04Å; L418-T439 HydrophobicContact CD1-CG2 3.81Å; N435-T439 WeakPolarHBondContact O-CB 3.36Å; N435-T439 PolarHBondContact O-N 3.12Å; N435-T439 PolarHBondContact O-OG1 3.19Å; A436-T439 WeakPolarHBondContact O-CB 3.09Å; A436-T439 PolarHBondContact O-N 3.01Å; C437-T439 VanDerWaalsContact C-N 3.3Å; C437-T439 PolarHBondContact O-N 3.48Å; T439-A442 PolarHBondContact O-N 2.86Å; T439-M443 HydrophobicContact CG2-SD 4.11Å; T439-M443 VanDerWaalsContact O-CG 3.24Å; T439-M443 WeakPolarHBondContact O-CG 3.39Å; T439-M443 PolarHBondContact O-N 3.2Å |
| 440 | L | 95 | Very high | 88 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | -177.7 | -171.1 | 59.7 | 0 | 0 | 0 | 112.8 | A415 L418 V419 M425 A436 C437 A442 M443 I444 I666 A669 F673 | A415-L440 HydrophobicContact CB-CD1 4.49Å; L418-L440 HydrophobicContact CD1-CB 3.96Å; L418-L440 HydrophobicContact CD1-CD1 4.32Å; V419-L440 HydrophobicContact CG1-CD1 4.42Å; V419-L440 HydrophobicContact CG1-CD2 3.41Å; V419-L440 VanDerWaalsContact CG1-CD2 3.41Å; M425-L440 HydrophobicContact SD-CD2 3.46Å; M425-L440 WeakPolarHBondContact SD-CD2 3.28Å; A436-L440 PolarHBondContact O-N 3.21Å; C437-L440 PolarHBondContact O-N 2.86Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.24Å; L440-M443 HydrophobicContact CD1-SD 4.36Å; L440-M443 WeakPolarHBondContact O-CB 3.19Å; L440-M443 PolarHBondContact O-N 3.42Å; L440-M443 VanDerWaalsContact O-N 3.11Å; L440-I444 PolarHBondContact O-N 3.22Å; L440-I666 HydrophobicContact CD1-CD1 4.01Å; L440-A669 HydrophobicContact CD2-CB 3.47Å; L440-A669 VanDerWaalsContact CD2-CB 3.47Å; L440-F673 HydrophobicContact CD2-CE2 4.08Å |
| 441 | T | 94.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | C437 I444 I694 | C437-T441 WeakPolarHBondContact O-CB 3Å; C437-T441 PolarHBondContact O-N 3.16Å; C437-T441 PolarHBondContact O-OG1 2.95Å; T441-I444 PolarHBondContact O-N 3.36Å; T441-I694 HydrophobicContact CG2-CB 3.99Å; T441-I694 HydrophobicContact CG2-CD1 3.45Å; T441-I694 VanDerWaalsContact CG2-CD1 3.45Å; T441-I694 HydrophobicContact CG2-CG1 4.28Å; T441-I694 HydrophobicContact CG2-CG2 3.99Å |
| 442 | A | 92.6 | Very high | 85.4 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.4 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V401 V402 K438 T439 L440 I444 L445 | V401-A442 HydrophobicContact CB-CB 4.45Å; V401-A442 HydrophobicContact CG1-CB 3.62Å; V402-A442 HydrophobicContact CG2-CB 4.09Å; K438-A442 WeakPolarHBondContact O-CB 3.44Å; K438-A442 PolarHBondContact O-N 3.26Å; T439-A442 PolarHBondContact O-N 2.86Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.24Å; A442-I444 VanDerWaalsContact C-N 3.34Å; A442-I444 PolarHBondContact O-N 3.07Å; A442-L445 PolarHBondContact O-N 2.82Å |
| 443 | M | 90.8 | Very high | 84.1 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 178 | -73.3 | 169.1 | 74.2 | 0 | 0 | 112.4 | V401 L406 Q411 L414 A415 L418 T439 L440 L445 Q446 C447 F662 | V401-M443 HydrophobicContact CB-CG 4.41Å; V401-M443 HydrophobicContact CG1-CB 4.4Å; V401-M443 HydrophobicContact CG1-CG 3.75Å; V401-M443 HydrophobicContact CG2-CG 3.73Å; V401-M443 HydrophobicContact CG2-SD 4.49Å; L406-M443 HydrophobicContact CD2-CE 3.87Å; L406-M443 HydrophobicContact CD2-CG 4.17Å; L406-M443 HydrophobicContact CD2-SD 4.39Å; Q411-M443 HydrophobicContact CB-CE 4.45Å; Q411-M443 WeakPolarHBondContact O-CE 3.21Å; L414-M443 HydrophobicContact CB-CE 4.08Å; L414-M443 HydrophobicContact CD2-CE 4.21Å; L414-M443 HydrophobicContact CD2-SD 3.84Å; L414-M443 HydrophobicContact CG-CE 4.24Å; L414-M443 HydrophobicContact CG-SD 4.08Å; A415-M443 HydrophobicContact CB-CE 4.07Å; L418-M443 HydrophobicContact CD1-SD 3.9Å; T439-M443 HydrophobicContact CG2-SD 4.11Å; T439-M443 VanDerWaalsContact O-CG 3.24Å; T439-M443 WeakPolarHBondContact O-CG 3.39Å; T439-M443 PolarHBondContact O-N 3.2Å; L440-M443 HydrophobicContact CD1-SD 4.36Å; L440-M443 WeakPolarHBondContact O-CB 3.19Å; L440-M443 PolarHBondContact O-N 3.42Å; L440-M443 VanDerWaalsContact O-N 3.11Å; M443-L445 VanDerWaalsContact C-N 3.27Å; M443-L445 PolarHBondContact O-N 3.38Å; M443-Q446 PolarHBondContact O-N 2.62Å; M443-C447 PolarHBondContact O-N 3Å; M443-F662 HydrophobicContact CB-CZ 4.28Å; M443-F662 HydrophobicContact CE-CD2 4.5Å; M443-F662 HydrophobicContact CE-CE2 3.74Å |
| 444 | I | 87.4 | Confident | 83 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 178.2 | -79.1 | 167.2 | 0 | 0 | 0 | 111.7 | L440 T441 A442 Q446 C447 I666 F691 A698 I700 | L440-I444 PolarHBondContact O-N 3.22Å; T441-I444 PolarHBondContact O-N 3.36Å; A442-I444 VanDerWaalsContact C-N 3.34Å; A442-I444 PolarHBondContact O-N 3.07Å; I444-Q446 PolarHBondContact O-N 2.81Å; I444-Q446 VanDerWaalsContact O-N 3.14Å; I444-C447 PolarHBondContact O-N 3.42Å; I444-I666 HydrophobicContact CD1-CD1 4.06Å; I444-I666 HydrophobicContact CG1-CD1 3.75Å; I444-F691 HydrophobicContact CD1-CD2 3.96Å; I444-F691 HydrophobicContact CD1-CE2 3.26Å; I444-F691 HydrophobicContact CD1-CZ 4.04Å; I444-A698 HydrophobicContact CG2-CB 3.78Å; I444-I700 HydrophobicContact CB-CD1 4.33Å; I444-I700 HydrophobicContact CD1-CD1 3.73Å; I444-I700 HydrophobicContact CG1-CD1 3.94Å; I444-I700 HydrophobicContact CG2-CD1 3.46Å; I444-I700 VanDerWaalsContact CG2-CD1 3.46Å; I444-I700 HydrophobicContact CG2-CG1 4.46Å |
| 445 | L | 82.6 | Confident | 82 | Confident | 113 Ų | 113 | 33 Ų | 33 | 59% | 0.592 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.7 | 179.3 | -67.2 | 176.5 | 0 | 0 | 0 | 113.4 | A442 M443 I694 | A442-L445 PolarHBondContact O-N 2.82Å; M443-L445 VanDerWaalsContact C-N 3.27Å; M443-L445 PolarHBondContact O-N 3.38Å; L445-I694 HydrophobicContact CD1-CG2 4.16Å; L445-I694 HydrophobicContact CD2-CG2 3.78Å; L445-I694 HydrophobicContact CG-CG2 3.87Å |
| 446 | Q | 76.9 | Confident | 81.1 | Confident | 58 Ų | 58 | 35.4 Ų | 35.4 | 27% | 0.271 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -3.5 | -177 | -61.9 | -170.5 | -4.1 | 0 | 0 | 114.3 | V401 M443 I444 P448 | V401-Q446 PolarHBondContact O-NE2 3.22Å; V401-Q446 PolarHBondContact O-OE1 3.03Å; M443-Q446 PolarHBondContact O-N 2.62Å; I444-Q446 PolarHBondContact O-N 2.81Å; I444-Q446 VanDerWaalsContact O-N 3.14Å; Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.47Å |
| 447 | C | 71.3 | Confident | 80.1 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | trans | -115.1 | 88.9 | 179.7 | -164.3 | 0 | 0 | 0 | 0 | 109.8 | M443 I444 A449 A450 F662 | M443-C447 PolarHBondContact O-N 3Å; I444-C447 PolarHBondContact O-N 3.42Å; C447-A449 PolarHBondContact O-N 2.8Å; C447-A450 WeakPolarHBondContact O-CB 3.47Å; C447-A450 PolarHBondContact O-N 3.33Å; C447-F662 HydrophobicContact CB-CD1 4.02Å; C447-F662 HydrophobicContact CB-CE1 3.5Å; C447-F662 VanDerWaalsContact CB-CE1 3.5Å; C447-F662 HydrophobicContact CB-CZ 4.22Å; C447-F662 VanDerWaalsContact SG-CD1 3.54Å | ||
| 448 | P | 59.6 | Low | 79.3 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 40% | 0.403 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -55.2 | -29.5 | -175.7 | -28.2 | 35.3 | 0 | 0 | 0 | 114.5 | Q446 A450 A590 | Q446-P448 VanDerWaalsContact O-CD 3.31Å; Q446-P448 WeakPolarHBondContact O-CD 3.47Å; P448-A450 PolarHBondContact O-N 3.31Å; P448-A590 HydrophobicContact CB-CB 3.54Å |
| 449 | A | 61.7 | Low | 78.7 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -74.9 | -7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C447 K451 L452 T659 I663 | C447-A449 PolarHBondContact O-N 2.8Å; A449-K451 PolarHBondContact O-N 3.1Å; A449-L452 HydrophobicContact CB-CD1 4.43Å; A449-L452 WeakPolarHBondContact O-CB 3.47Å; A449-L452 PolarHBondContact O-N 2.66Å; A449-T659 HydrophobicContact CB-CG2 3.25Å; A449-I663 WeakPolarHBondContact O-CD1 3.37Å |
| 450 | A | 63.2 | Low | 77.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -61.1 | -14.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | C447 P448 L452 I700 | C447-A450 WeakPolarHBondContact O-CB 3.47Å; C447-A450 PolarHBondContact O-N 3.33Å; P448-A450 PolarHBondContact O-N 3.31Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-I700 HydrophobicContact CB-CD1 4.36Å; A450-I700 HydrophobicContact CB-CG1 4.3Å |
| 451 | K | 67.8 | Low | 77.3 | Confident | 94 Ų | 94 | 45 Ų | 45 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -73.4 | -21.4 | 173.6 | -65.4 | 179.9 | 178.9 | -173.6 | 0 | 114 | A449 A698 | A449-K451 PolarHBondContact O-N 3.1Å; K451-A698 WeakPolarHBondContact CE-O 3.46Å; K451-A698 VanDerWaalsContact CG-O 3.22Å; K451-A698 WeakPolarHBondContact CG-O 3.34Å |
| 452 | L | 67.2 | Low | 77 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -82.9 | 143 | -177.8 | -70.3 | 165.2 | 0 | 0 | 0 | 110.8 | A449 A450 E456 L457 A587 | A449-L452 HydrophobicContact CB-CD1 4.43Å; A449-L452 WeakPolarHBondContact O-CB 3.47Å; A449-L452 PolarHBondContact O-N 2.66Å; A450-L452 VanDerWaalsContact C-N 3.34Å; L452-E456 HydrophobicContact CD2-CB 4.11Å; L452-L457 HydrophobicContact CB-CB 4.45Å; L452-L457 HydrophobicContact CD1-CD1 4.23Å; L452-A587 HydrophobicContact CD2-CB 3.69Å; L452-A587 HydrophobicContact CG-CB 4.16Å |
| 453 | T | 71.3 | Confident | 76.7 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | trans | -69.8 | 154.4 | 166.5 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | N455 E456 L457 K701 | T453-N455 PolarHBondContact O-N 3.28Å; T453-N455 VanDerWaalsContact O-N 3.14Å; T453-E456 PolarHBondContact N-OE2 2.78Å; T453-E456 PolarHBondContact O-N 2.74Å; T453-E456 WeakPolarHBondContact OG1-CB 3.33Å; T453-E456 WeakPolarHBondContact OG1-CG 3.41Å; T453-E456 PolarHBondContact OG1-N 3.38Å; T453-E456 PolarHBondContact OG1-OE2 3.47Å; T453-L457 PolarHBondContact O-N 2.77Å; T453-K701 HydrophobicContact CG2-CD 3.65Å | ||
| 454 | T | 74.7 | Confident | 76.4 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -52.5 | -36.7 | 174.1 | -44.7 | 0 | 0 | 0 | 0 | 111.7 | Q458 Q667 | T454-Q458 VanDerWaalsContact O-CB 3.27Å; T454-Q458 WeakPolarHBondContact O-CB 3.49Å; T454-Q458 PolarHBondContact O-N 2.73Å; T454-Q667 PolarHBondContact OG1-NE2 3.35Å |
| 455 | N | 78.1 | Confident | 76.5 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 66% | 0.658 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.1 | -47.3 | -179.9 | -70.3 | -17.5 | 0 | 0 | 0 | 113 | T453 L457 Q458 Q459 | T453-N455 PolarHBondContact O-N 3.28Å; T453-N455 VanDerWaalsContact O-N 3.14Å; N455-L457 VanDerWaalsContact C-N 3.31Å; N455-L457 PolarHBondContact O-N 3.47Å; N455-Q458 PolarHBondContact O-N 2.74Å; N455-Q459 WeakPolarHBondContact O-CG 3.37Å; N455-Q459 PolarHBondContact O-N 3.22Å |
| 456 | E | 78.1 | Confident | 77 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.4 | -72.3 | 155 | 175.7 | 0 | 0 | 110.3 | L452 T453 Q458 Q459 V460 K701 | L452-E456 HydrophobicContact CD2-CB 4.11Å; T453-E456 PolarHBondContact N-OE2 2.78Å; T453-E456 PolarHBondContact O-N 2.74Å; T453-E456 WeakPolarHBondContact OG1-CB 3.33Å; T453-E456 WeakPolarHBondContact OG1-CG 3.41Å; T453-E456 PolarHBondContact OG1-N 3.38Å; T453-E456 PolarHBondContact OG1-OE2 3.47Å; E456-Q458 PolarHBondContact O-N 3.17Å; E456-Q459 PolarHBondContact O-N 2.81Å; E456-V460 WeakPolarHBondContact O-CG2 3.23Å; E456-V460 PolarHBondContact O-N 3Å; E456-K701 IonicContact OE1-NZ 2.8Å; E456-K701 IonicContact OE2-NZ 3.06Å |
| 457 | L | 77.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.9 | -176.5 | 63.2 | 0 | 0 | 0 | 111.9 | L452 T453 N455 Q459 V460 V461 L656 T659 I663 | L452-L457 HydrophobicContact CB-CB 4.45Å; L452-L457 HydrophobicContact CD1-CD1 4.23Å; T453-L457 PolarHBondContact O-N 2.77Å; N455-L457 VanDerWaalsContact C-N 3.31Å; N455-L457 PolarHBondContact O-N 3.47Å; L457-Q459 VanDerWaalsContact C-N 3.27Å; L457-Q459 PolarHBondContact O-N 2.82Å; L457-V460 PolarHBondContact O-N 3.46Å; L457-V460 VanDerWaalsContact O-N 3.17Å; L457-V461 HydrophobicContact CD1-CG2 4.41Å; L457-V461 HydrophobicContact CG-CG2 4.24Å; L457-V461 VanDerWaalsContact O-CG2 3.25Å; L457-V461 WeakPolarHBondContact O-CG2 3.35Å; L457-V461 PolarHBondContact O-N 3.31Å; L457-L656 HydrophobicContact CD1-CD2 4.12Å; L457-T659 HydrophobicContact CD2-CG2 3.87Å; L457-I663 HydrophobicContact CD2-CD1 3.53Å |
| 458 | Q | 81.7 | Confident | 78.3 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177.8 | -168.4 | 65.6 | 28.3 | 0 | 0 | 111.9 | T454 N455 E456 N462 | T454-Q458 VanDerWaalsContact O-CB 3.27Å; T454-Q458 WeakPolarHBondContact O-CB 3.49Å; T454-Q458 PolarHBondContact O-N 2.73Å; N455-Q458 PolarHBondContact O-N 2.74Å; E456-Q458 PolarHBondContact O-N 3.17Å; Q458-N462 PolarHBondContact NE2-OD1 2.79Å; Q458-N462 WeakPolarHBondContact O-CB 3.41Å; Q458-N462 PolarHBondContact O-N 3.45Å; Q458-N462 PolarHBondContact O-ND2 2.9Å |
| 459 | Q | 83.1 | Confident | 79.9 | Confident | 140 Ų | 140 | 65.5 Ų | 65.5 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 174.8 | -69.1 | 178.7 | 14.3 | 0 | 0 | 111.9 | N455 E456 L457 N462 K463 | N455-Q459 WeakPolarHBondContact O-CG 3.37Å; N455-Q459 PolarHBondContact O-N 3.22Å; E456-Q459 PolarHBondContact O-N 2.81Å; L457-Q459 VanDerWaalsContact C-N 3.27Å; L457-Q459 PolarHBondContact O-N 2.82Å; Q459-N462 PolarHBondContact O-N 2.85Å; Q459-K463 WeakPolarHBondContact O-CB 3.49Å; Q459-K463 PolarHBondContact O-N 3.4Å |
| 460 | V | 81.6 | Confident | 81.4 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 22% | 0.218 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | E456 L457 N462 K463 E464 L591 L656 | E456-V460 WeakPolarHBondContact O-CG2 3.23Å; E456-V460 PolarHBondContact O-N 3Å; L457-V460 PolarHBondContact O-N 3.46Å; L457-V460 VanDerWaalsContact O-N 3.17Å; V460-N462 VanDerWaalsContact C-N 3.33Å; V460-N462 PolarHBondContact O-N 3.37Å; V460-K463 WeakPolarHBondContact O-CB 3.37Å; V460-K463 PolarHBondContact O-N 3.29Å; V460-E464 HydrophobicContact CG1-CG 4.45Å; V460-E464 WeakPolarHBondContact O-CG 3.38Å; V460-E464 PolarHBondContact O-N 3.31Å; V460-L591 HydrophobicContact CG1-CD1 4.33Å; V460-L591 HydrophobicContact CG1-CD2 3.58Å; V460-L591 HydrophobicContact CG2-CD2 4.36Å; V460-L656 HydrophobicContact CG1-CD1 4.03Å; V460-L656 HydrophobicContact CG1-CD2 4.23Å |
| 461 | V | 82.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.3 | -51.1 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110 | L457 K463 E464 T465 L656 L657 | L457-V461 HydrophobicContact CD1-CG2 4.41Å; L457-V461 HydrophobicContact CG-CG2 4.24Å; L457-V461 VanDerWaalsContact O-CG2 3.25Å; L457-V461 WeakPolarHBondContact O-CG2 3.35Å; L457-V461 PolarHBondContact O-N 3.31Å; V461-K463 VanDerWaalsContact C-N 3.29Å; V461-K463 PolarHBondContact O-N 3.42Å; V461-E464 PolarHBondContact O-N 3.09Å; V461-T465 HydrophobicContact CG1-CG2 4.16Å; V461-T465 WeakPolarHBondContact O-CB 3.32Å; V461-T465 VanDerWaalsContact O-CG2 3.24Å; V461-T465 WeakPolarHBondContact O-CG2 3.49Å; V461-T465 PolarHBondContact O-N 3.05Å; V461-T465 PolarHBondContact O-OG1 3.32Å; V461-T465 VanDerWaalsContact O-OG1 3.06Å; V461-L656 HydrophobicContact CG2-CB 3.66Å; V461-L657 HydrophobicContact CG1-CD2 3.79Å |
| 462 | N | 87.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -33.4 | -179.3 | -72.3 | -18.4 | 0 | 0 | 0 | 113.4 | Q458 Q459 V460 T465 K466 | Q458-N462 PolarHBondContact NE2-OD1 2.79Å; Q458-N462 WeakPolarHBondContact O-CB 3.41Å; Q458-N462 PolarHBondContact O-N 3.45Å; Q458-N462 PolarHBondContact O-ND2 2.9Å; Q459-N462 PolarHBondContact O-N 2.85Å; V460-N462 VanDerWaalsContact C-N 3.33Å; V460-N462 PolarHBondContact O-N 3.37Å; N462-T465 WeakPolarHBondContact CA-OG1 3.47Å; N462-T465 PolarHBondContact O-OG1 3.04Å; N462-K466 VanDerWaalsContact O-CG 3.3Å; N462-K466 WeakPolarHBondContact O-CG 3.03Å; N462-K466 PolarHBondContact O-N 2.81Å |
| 463 | K | 86.4 | Confident | 84.6 | Confident | 147 Ų | 147 | 71.2 Ų | 71.2 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.9 | -46.8 | 176.1 | -179.9 | -175.6 | 174.3 | -173.5 | 0 | 110.9 | Q459 V460 V461 K466 R467 | Q459-K463 WeakPolarHBondContact O-CB 3.49Å; Q459-K463 PolarHBondContact O-N 3.4Å; V460-K463 WeakPolarHBondContact O-CB 3.37Å; V460-K463 PolarHBondContact O-N 3.29Å; V461-K463 VanDerWaalsContact C-N 3.29Å; V461-K463 PolarHBondContact O-N 3.42Å; K463-K466 PolarHBondContact O-N 3.5Å; K463-R467 PolarHBondContact O-N 2.87Å; K463-R467 VanDerWaalsContact O-N 3.13Å |
| 464 | E | 84.9 | Confident | 85.3 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.9 | -28.2 | -177 | -65 | -52.2 | 131.6 | 0 | 0 | 112.9 | V460 V461 R467 L468 Q649 V653 L656 | V460-E464 HydrophobicContact CG1-CG 4.45Å; V460-E464 WeakPolarHBondContact O-CG 3.38Å; V460-E464 PolarHBondContact O-N 3.31Å; V461-E464 PolarHBondContact O-N 3.09Å; E464-R467 PolarHBondContact O-N 3.46Å; E464-R467 IonicContact OE2-NH1 2.9Å; E464-L468 PolarHBondContact O-N 3.15Å; E464-Q649 PolarHBondContact O-NE2 3.03Å; E464-Q649 PolarHBondContact OE2-NE2 3.46Å; E464-V653 HydrophobicContact CB-CG2 4.22Å; E464-V653 WeakPolarHBondContact O-CG2 3.35Å; E464-L656 HydrophobicContact CB-CD1 3.89Å; E464-L656 HydrophobicContact CG-CD1 3.89Å |
| 465 | T | 88.9 | Confident | 85.7 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 22% | 0.221 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | V461 N462 R467 L468 E469 V653 | V461-T465 HydrophobicContact CG1-CG2 4.16Å; V461-T465 WeakPolarHBondContact O-CB 3.32Å; V461-T465 VanDerWaalsContact O-CG2 3.24Å; V461-T465 WeakPolarHBondContact O-CG2 3.49Å; V461-T465 PolarHBondContact O-N 3.05Å; V461-T465 PolarHBondContact O-OG1 3.32Å; V461-T465 VanDerWaalsContact O-OG1 3.06Å; N462-T465 WeakPolarHBondContact CA-OG1 3.47Å; N462-T465 PolarHBondContact O-OG1 3.04Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 3.45Å; T465-L468 WeakPolarHBondContact O-CB 3.45Å; T465-L468 PolarHBondContact O-N 3.24Å; T465-L468 VanDerWaalsContact O-N 3.09Å; T465-E469 WeakPolarHBondContact O-CG 3.29Å; T465-E469 PolarHBondContact O-N 3.21Å; T465-V653 HydrophobicContact CG2-CG1 3.62Å; T465-V653 HydrophobicContact CG2-CG2 4.24Å |
| 466 | K | 92.5 | Very high | 85.9 | Confident | 142 Ų | 142 | 71.6 Ų | 71.6 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61 | -37 | 173.9 | -73.6 | 176.1 | -177.7 | 179.7 | 0 | 112.5 | N462 K463 L468 E469 S470 | N462-K466 VanDerWaalsContact O-CG 3.3Å; N462-K466 WeakPolarHBondContact O-CG 3.03Å; N462-K466 PolarHBondContact O-N 2.81Å; K463-K466 PolarHBondContact O-N 3.5Å; K466-L468 VanDerWaalsContact C-N 3.33Å; K466-E469 PolarHBondContact O-N 3.34Å; K466-S470 PolarHBondContact O-N 3.06Å |
| 467 | R | 87.2 | Confident | 85.9 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 174.3 | -174.4 | -179.9 | -178.5 | 169.1 | 2.3 | 111.7 | K463 E464 T465 S470 L471 | K463-R467 PolarHBondContact O-N 2.87Å; K463-R467 VanDerWaalsContact O-N 3.13Å; E464-R467 PolarHBondContact O-N 3.46Å; E464-R467 IonicContact OE2-NH1 2.9Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 3.45Å; R467-S470 PolarHBondContact O-N 3.27Å; R467-L471 WeakPolarHBondContact O-CG 3.43Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.12Å |
| 468 | L | 89.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 75 Ų | 75 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 174.3 | 176.4 | 59.1 | 0 | 0 | 0 | 111.5 | E464 T465 K466 S470 L471 E472 V646 Q649 R650 V653 | E464-L468 PolarHBondContact O-N 3.15Å; T465-L468 WeakPolarHBondContact O-CB 3.45Å; T465-L468 PolarHBondContact O-N 3.24Å; T465-L468 VanDerWaalsContact O-N 3.09Å; K466-L468 VanDerWaalsContact C-N 3.33Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 2.9Å; L468-L471 PolarHBondContact O-N 3.32Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L468-E472 HydrophobicContact CD1-CG 4.02Å; L468-E472 HydrophobicContact CG-CG 4.4Å; L468-E472 WeakPolarHBondContact O-CG 3.31Å; L468-E472 PolarHBondContact O-N 2.97Å; L468-V646 HydrophobicContact CD1-CG1 4.21Å; L468-Q649 HydrophobicContact CB-CG 3.75Å; L468-Q649 HydrophobicContact CD1-CB 4.06Å; L468-Q649 HydrophobicContact CD1-CG 4.05Å; L468-Q649 HydrophobicContact CG-CG 4.47Å; L468-R650 HydrophobicContact CD1-CB 4.47Å; L468-R650 HydrophobicContact CD1-CG 3.48Å; L468-R650 VanDerWaalsContact CD1-CG 3.48Å; L468-R650 HydrophobicContact CD2-CG 3.78Å; L468-R650 HydrophobicContact CG-CG 4.27Å; L468-V653 HydrophobicContact CB-CG2 4.27Å; L468-V653 HydrophobicContact CD2-CB 4.43Å; L468-V653 HydrophobicContact CD2-CG2 4.16Å |
| 469 | E | 92.8 | Very high | 84.5 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.6 | -43.1 | 177.8 | -69.3 | 170.7 | 176.9 | 0 | 0 | 111.5 | T465 K466 L471 E472 E473 | T465-E469 WeakPolarHBondContact O-CG 3.29Å; T465-E469 PolarHBondContact O-N 3.21Å; K466-E469 PolarHBondContact O-N 3.34Å; E469-L471 PolarHBondContact O-N 3.18Å; E469-E472 PolarHBondContact O-N 3.37Å; E469-E473 WeakPolarHBondContact O-CB 3.37Å; E469-E473 PolarHBondContact O-N 2.67Å |
| 470 | S | 91.9 | Very high | 83.2 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 44% | 0.441 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | K466 R467 L468 L474 | K466-S470 PolarHBondContact O-N 3.06Å; R467-S470 PolarHBondContact O-N 3.27Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 2.9Å; S470-L474 WeakPolarHBondContact O-CG 3.45Å; S470-L474 PolarHBondContact O-N 2.89Å; S470-L474 VanDerWaalsContact O-N 3.07Å |
| 471 | L | 87.9 | Confident | 81.8 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | 176.7 | -73 | 171.4 | 0 | 0 | 0 | 112.3 | R467 L468 E469 L474 L475 L642 V646 Q649 | R467-L471 WeakPolarHBondContact O-CG 3.43Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.12Å; L468-L471 PolarHBondContact O-N 3.32Å; L468-L471 VanDerWaalsContact O-N 3.14Å; E469-L471 PolarHBondContact O-N 3.18Å; L471-L474 PolarHBondContact O-N 3.17Å; L471-L475 WeakPolarHBondContact O-CB 3.47Å; L471-L475 PolarHBondContact O-N 3.3Å; L471-L642 HydrophobicContact CD2-CD1 3.94Å; L471-V646 HydrophobicContact CB-CG2 3.78Å; L471-Q649 HydrophobicContact CD1-CB 3.92Å; L471-Q649 HydrophobicContact CD1-CG 4.1Å |
| 472 | E | 90.4 | Very high | 80.2 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.6 | -71.5 | -177.8 | 165.3 | 0 | 0 | 111.6 | L468 E469 L475 T476 V646 R650 | L468-E472 HydrophobicContact CD1-CG 4.02Å; L468-E472 HydrophobicContact CG-CG 4.4Å; L468-E472 WeakPolarHBondContact O-CG 3.31Å; L468-E472 PolarHBondContact O-N 2.97Å; E469-E472 PolarHBondContact O-N 3.37Å; E472-L475 PolarHBondContact O-N 2.6Å; E472-T476 WeakPolarHBondContact O-CB 3.23Å; E472-T476 PolarHBondContact O-N 3.18Å; E472-T476 PolarHBondContact O-OG1 3.2Å; E472-V646 HydrophobicContact CG-CG1 3.96Å; E472-R650 IonicContact OE1-CZ 3.95Å; E472-R650 IonicContact OE1-NE 3.42Å; E472-R650 PolarHBondContact OE1-NE 3.04Å; E472-R650 IonicContact OE1-NH2 3.56Å; E472-R650 PolarHBondContact OE1-NH2 3.11Å |
| 473 | E | 88.8 | Confident | 78.2 | Confident | 104 Ų | 104 | 82 Ų | 82 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.2 | -165.1 | -169.9 | 165.7 | 0 | 0 | 111.4 | E469 T476 K477 | E469-E473 WeakPolarHBondContact O-CB 3.37Å; E469-E473 PolarHBondContact O-N 2.67Å; E473-T476 PolarHBondContact O-N 2.89Å; E473-K477 WeakPolarHBondContact O-CG 3.48Å; E473-K477 PolarHBondContact O-N 2.78Å; E473-K477 WeakPolarHBondContact OE1-CE 3.45Å; E473-K477 IonicContact OE1-NZ 3.66Å; E473-K477 PolarHBondContact OE1-NZ 2.75Å |
| 474 | L | 86 | Confident | 76.1 | Confident | 85 Ų | 85 | 81.3 Ų | 81.3 | 45% | 0.445 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174 | -75.9 | 169 | 0 | 0 | 0 | 112 | S470 L471 T476 K477 V478 L642 | S470-L474 WeakPolarHBondContact O-CG 3.45Å; S470-L474 PolarHBondContact O-N 2.89Å; S470-L474 VanDerWaalsContact O-N 3.07Å; L471-L474 PolarHBondContact O-N 3.17Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 3.16Å; L474-K477 PolarHBondContact O-N 3.02Å; L474-V478 WeakPolarHBondContact O-CG2 3.43Å; L474-V478 PolarHBondContact O-N 3.36Å; L474-L642 HydrophobicContact CB-CD1 4.45Å; L474-L642 HydrophobicContact CB-CD2 4.18Å |
| 475 | L | 82.4 | Confident | 73.8 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.7 | -173.7 | 68.1 | 0 | 0 | 0 | 111.2 | L471 E472 V478 G479 Q639 L642 V646 | L471-L475 WeakPolarHBondContact O-CB 3.47Å; L471-L475 PolarHBondContact O-N 3.3Å; E472-L475 PolarHBondContact O-N 2.6Å; L475-V478 PolarHBondContact O-N 3.38Å; L475-G479 PolarHBondContact O-N 3.04Å; L475-G479 VanDerWaalsContact O-N 3.07Å; L475-Q639 HydrophobicContact CD1-CG 4.36Å; L475-L642 HydrophobicContact CB-CD2 4.01Å; L475-L642 HydrophobicContact CB-CG 4.21Å; L475-L642 HydrophobicContact CD1-CB 4.26Å; L475-L642 HydrophobicContact CD1-CD2 3.93Å; L475-L642 HydrophobicContact CD1-CG 3.92Å; L475-V646 HydrophobicContact CB-CG2 4.43Å; L475-V646 HydrophobicContact CD2-CG2 4.21Å |
| 476 | T | 81.3 | Confident | 71.2 | Confident | 96 Ų | 96 | 93.4 Ų | 93.4 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 176.4 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | E472 E473 L474 G479 T480 | E472-T476 WeakPolarHBondContact O-CB 3.23Å; E472-T476 PolarHBondContact O-N 3.18Å; E472-T476 PolarHBondContact O-OG1 3.2Å; E473-T476 PolarHBondContact O-N 2.89Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 3.16Å; T476-G479 PolarHBondContact O-N 3.39Å; T476-T480 PolarHBondContact O-N 3.47Å |
| 477 | K | 78.7 | Confident | 68.2 | Low | 103 Ų | 103 | 91.2 Ų | 91.2 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.1 | -74.7 | 171.9 | -176.7 | 166.4 | 0 | 112.7 | E473 L474 G479 T480 L481 | E473-K477 WeakPolarHBondContact O-CG 3.48Å; E473-K477 PolarHBondContact O-N 2.78Å; E473-K477 WeakPolarHBondContact OE1-CE 3.45Å; E473-K477 IonicContact OE1-NZ 3.66Å; E473-K477 PolarHBondContact OE1-NZ 2.75Å; L474-K477 PolarHBondContact O-N 3.02Å; K477-G479 VanDerWaalsContact C-N 3.34Å; K477-T480 PolarHBondContact O-N 3.19Å; K477-T480 PolarHBondContact O-OG1 3.33Å; K477-L481 PolarHBondContact O-N 2.91Å |
| 478 | V | 69 | Low | 65.4 | Low | 37 Ų | 37 | 91 Ų | 91 | 22% | 0.224 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L474 L475 T480 L481 T635 Q639 L642 | L474-V478 WeakPolarHBondContact O-CG2 3.43Å; L474-V478 PolarHBondContact O-N 3.36Å; L475-V478 PolarHBondContact O-N 3.38Å; V478-T480 VanDerWaalsContact C-N 3.28Å; V478-T480 PolarHBondContact O-N 3.34Å; V478-L481 PolarHBondContact O-N 3.11Å; V478-T635 HydrophobicContact CG1-CG2 4.46Å; V478-Q639 HydrophobicContact CG1-CB 4.29Å; V478-Q639 HydrophobicContact CG1-CG 4.31Å; V478-L642 HydrophobicContact CG2-CD2 4.17Å |
| 479 | G | 61.3 | Low | 62.5 | Low | 32 Ų | 32 | 99 Ų | 99 | 33% | 0.33 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L475 T476 K477 | L475-G479 PolarHBondContact O-N 3.04Å; L475-G479 VanDerWaalsContact O-N 3.07Å; T476-G479 PolarHBondContact O-N 3.39Å; K477-G479 VanDerWaalsContact C-N 3.34Å |
| 480 | T | 56.3 | Low | 59.5 | Low | 78 Ų | 78 | 100.7 Ų | 100.7 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -79.3 | -17.3 | 178.1 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | T476 K477 V478 | T476-T480 PolarHBondContact O-N 3.47Å; K477-T480 PolarHBondContact O-N 3.19Å; K477-T480 PolarHBondContact O-OG1 3.33Å; V478-T480 VanDerWaalsContact C-N 3.28Å; V478-T480 PolarHBondContact O-N 3.34Å |
| 481 | L | 52.5 | Low | 56.6 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.7 | -28.2 | 179.6 | -74.9 | 166.4 | 0 | 0 | 0 | 112.5 | K477 V478 E483 N484 | K477-L481 PolarHBondContact O-N 2.91Å; V478-L481 PolarHBondContact O-N 3.11Å; L481-E483 VanDerWaalsContact C-N 3.29Å; L481-E483 PolarHBondContact O-N 3.37Å; L481-N484 PolarHBondContact O-N 3.47Å |
| 482 | D | 48.6 | Very low | 53.8 | Low | 97 Ų | 97 | 110 Ų | 110 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -20.8 | 177.6 | -84.1 | -10.7 | 0 | 0 | 0 | 113.3 | ||
| 483 | E | 45.5 | Very low | 50.8 | Low | 157 Ų | 157 | 113.3 Ų | 113.3 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -21.9 | 178.8 | -68.1 | -168.1 | 163.8 | 0 | 0 | 113.5 | L481 | L481-E483 VanDerWaalsContact C-N 3.29Å; L481-E483 PolarHBondContact O-N 3.37Å |
| 484 | N | 42.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -91.5 | -3.6 | -171.2 | -81.3 | -25.3 | 0 | 0 | 0 | 115.7 | L481 T486 | L481-N484 PolarHBondContact O-N 3.47Å; N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 3.28Å |
| 485 | E | 36.5 | Very low | 45.1 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 84% | 0.841 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -80.6 | 6.1 | 178.1 | -74.3 | -160.5 | 155.9 | 0 | 0 | 115 | ||
| 486 | T | 34 | Very low | 42.4 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -108.3 | 3.4 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 117.1 | N484 | N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 3.28Å |
| 487 | A | 30.5 | Very low | 39.8 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -119.3 | 89.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 488 | T | 27.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -89.4 | 139.9 | 164.5 | 35 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 489 | K | 28.4 | Very low | 35.4 | Very low | 189 Ų | 189 | 130 Ų | 130 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | 72.7 | 109.5 | 164.6 | -62.1 | 175.3 | 177.5 | 177.6 | 0 | 117.3 | ||||
| 490 | D | 30.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | -172.8 | 155.7 | 107 | -91.8 | -16 | 0 | 0 | 0 | 111.7 | |||||
| 491 | D | 30 | Very low | 32.2 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -73.3 | 140.1 | -153.1 | -80.8 | -50.4 | 0 | 0 | 0 | 117 | ||||
| 492 | N | 28.7 | Very low | 30.8 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | 52.5 | 104.5 | 122 | -134.2 | 8.8 | 0 | 0 | 0 | 119.5 | |||||
| 493 | N | 27.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | 62.2 | 104.2 | 123.3 | -160.5 | 23.9 | 0 | 0 | 0 | 118.5 | |||||
| 494 | N | 28.7 | Very low | 28.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -168.2 | 149.8 | 114.5 | -127.8 | -26.6 | 0 | 0 | 0 | 114.8 | |||||
| 495 | N | 27.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 143.6 | -177.9 | -78.3 | -43 | 0 | 0 | 0 | 116.6 | ||||
| 496 | G | 26.4 | Very low | 27.3 | Very low | 67 Ų | 67 | 145.7 Ų | 145.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | 82.6 | 106.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 497 | I | 26.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -164.8 | 117.2 | 142.4 | -91.9 | 139.1 | 0 | 0 | 0 | 107.7 | I499 | I497-I499 HydrophobicContact CG2-CB 4.16Å; I497-I499 HydrophobicContact CG2-CD1 4.09Å; I497-I499 HydrophobicContact CG2-CG1 3.93Å | ||
| 498 | N | 26.2 | Very low | 26.5 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -97.1 | 97.8 | 166.5 | -173.7 | 7.1 | 0 | 0 | 0 | 106.6 | ||||
| 499 | I | 28 | Very low | 26.4 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -138.3 | 100.9 | 169 | -64.7 | 176.1 | 0 | 0 | 0 | 109.4 | I497 | I497-I499 HydrophobicContact CG2-CB 4.16Å; I497-I499 HydrophobicContact CG2-CD1 4.09Å; I497-I499 HydrophobicContact CG2-CG1 3.93Å | ||
| 500 | Q | 25.1 | Very low | 26.2 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 115.4 | 150.8 | -168.5 | 87.4 | -5.2 | 0 | 0 | 108.6 | ||||
| 501 | K | 25.1 | Very low | 25.9 | Very low | 189 Ų | 189 | 158 Ų | 158 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 161.2 | 120.8 | 137.5 | -91.5 | 171.1 | 180 | 177.7 | 0 | 113.3 | ||||
| 502 | S | 24 | Very low | 25.7 | Very low | 99 Ų | 99 | 162.2 Ų | 162.2 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | 69.2 | 98.7 | 129 | -170.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 503 | L | 26 | Very low | 25.4 | Very low | 179 Ų | 179 | 163 Ų | 163 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -138.7 | 99.7 | 146.6 | -91.8 | 166.9 | 0 | 0 | 0 | 110.4 | ||||
| 504 | D | 23.7 | Very low | 25.3 | Very low | 133 Ų | 133 | 162.5 Ų | 162.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -59.1 | 138.8 | 154.1 | -71.5 | -54.5 | 0 | 0 | 0 | 110.6 | ||||
| 505 | K | 25.8 | Very low | 25.2 | Very low | 178 Ų | 178 | 165.2 Ų | 165.2 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | 149.1 | 112.9 | 122.8 | -82.5 | 167 | -174.8 | 166.9 | 0 | 112.9 | |||||
| 506 | K | 23.7 | Very low | 25.1 | Very low | 178 Ų | 178 | 167 Ų | 167 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | 55.2 | 112.6 | 126.2 | -62.6 | -179.8 | 172.8 | 176.7 | 0 | 118.1 | |||||
| 507 | K | 24.9 | Very low | 25 | Very low | 186 Ų | 186 | 169.3 Ų | 169.3 | 81% | 0.809 | 82% | 0.824 | S | S | * | * | 167.4 | 121.9 | 102.1 | -93.6 | 170.1 | -177 | 174 | 0 | 113.1 | |||||
| 508 | K | 22.4 | Very low | 25 | Very low | 200 Ų | 200 | 168.8 Ų | 168.8 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | 45 | 112.6 | 131.7 | -64.6 | -178.6 | 173.8 | -176.9 | 0 | 118.8 | ||||
| 509 | S | 25 | Very low | 24.8 | Very low | 115 Ų | 115 | 166 Ų | 166 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | -170.2 | 117.7 | 113.1 | -157.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 510 | K | 24 | Very low | 24.7 | Very low | 198 Ų | 198 | 166 Ų | 166 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | 7.2 | 114.8 | 150.1 | -68.3 | 170.1 | 173.5 | 174.1 | 0 | 119.5 | ||||
| 511 | R | 25.4 | Very low | 24.8 | Very low | 260 Ų | 260 | 162.8 Ų | 162.8 | 98% | 0.981 | 82% | 0.817 | S | S | * | * | trans | -132 | 136.4 | 138.8 | -104.1 | -177.7 | 168.2 | 175.8 | -3.6 | 109.2 | ||||
| 512 | R | 25.3 | Very low | 24.7 | Very low | 240 Ų | 240 | 163.3 Ų | 163.3 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -91.1 | 145.4 | -168.1 | -81.5 | 169.2 | 146.6 | 166.7 | -9.2 | 111.7 | ||||
| 513 | N | 22.3 | Very low | 24.8 | Very low | 155 Ų | 155 | 166 Ų | 166 | 83% | 0.829 | 83% | 0.829 | S | S | * | * | trans | 22.3 | 124.7 | 144.7 | -67.1 | 6.7 | 0 | 0 | 0 | 120.7 | ||||
| 514 | S | 26 | Very low | 24.7 | Very low | 117 Ų | 117 | 163 Ų | 163 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | 178.2 | 82.6 | 116.4 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 515 | K | 26.9 | Very low | 24.8 | Very low | 205 Ų | 205 | 159.8 Ų | 159.8 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -145.3 | 93.7 | 153.1 | -86.2 | -167.9 | 177.6 | 176.2 | 0 | 107.2 | S517 | K515-S517 PolarHBondContact O-N 3.15Š| ||
| 516 | E | 25.1 | Very low | 24.7 | Very low | 184 Ų | 184 | 162.9 Ų | 162.9 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -70.8 | 117.9 | 170.4 | -79.7 | 171.1 | 153.8 | 0 | 0 | 108.5 | ||||
| 517 | S | 23.5 | Very low | 24.8 | Very low | 117 Ų | 117 | 163.9 Ų | 163.9 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -100.2 | 103.9 | 167 | -48.2 | 0 | 0 | 0 | 0 | 105.9 | K515 | K515-S517 PolarHBondContact O-N 3.15Š| ||
| 518 | I | 26.1 | Very low | 24.7 | Very low | 142 Ų | 142 | 166.8 Ų | 166.8 | 73% | 0.728 | 84% | 0.839 | S | S | * | * | trans | -97.6 | 107 | 171.8 | -66.9 | 175.1 | 0 | 0 | 0 | 107.4 | ||||
| 519 | S | 23.5 | Very low | 24.9 | Very low | 104 Ų | 104 | 166.1 Ų | 166.1 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | -61.7 | 124.8 | 162.8 | 50 | 0 | 0 | 0 | 0 | 110 | ||||
| 520 | V | 26 | Very low | 24.9 | Very low | 138 Ų | 138 | 166.7 Ų | 166.7 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -108 | 113.7 | 162.2 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 521 | S | 26.3 | Very low | 24.8 | Very low | 102 Ų | 102 | 166.5 Ų | 166.5 | 71% | 0.713 | 84% | 0.837 | S | S | * | * | trans | -75.1 | 148 | -179.1 | -47.3 | 0 | 0 | 0 | 0 | 111.3 | D523 | S521-D523 PolarHBondContact O-N 2.95Š| ||
| 522 | E | 22.2 | Very low | 24.8 | Very low | 200 Ų | 200 | 165.1 Ų | 165.1 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -56.8 | 125.1 | 168.3 | -63.9 | 170.1 | 142.9 | 0 | 0 | 110.8 | ||||
| 523 | D | 26.7 | Very low | 24.7 | Very low | 155 Ų | 155 | 165.2 Ų | 165.2 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | trans | -126.3 | 110 | 159.2 | -162.6 | 8.5 | 0 | 0 | 0 | 109.5 | S521 | S521-D523 PolarHBondContact O-N 2.95Š| ||
| 524 | S | 24 | Very low | 24.7 | Very low | 115 Ų | 115 | 167.6 Ų | 167.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -76.3 | 111.2 | 173.3 | 49.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 525 | G | 26.3 | Very low | 24.8 | Very low | 67 Ų | 67 | 167.9 Ų | 167.9 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -168.3 | 72.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 526 | R | 22.9 | Very low | 24.7 | Very low | 242 Ų | 242 | 167.9 Ų | 167.9 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | 61.2 | 105.6 | 133.2 | -148.9 | 174.7 | -162.1 | 172.4 | 4.1 | 118.4 | ||||
| 527 | K | 26.4 | Very low | 24.8 | Very low | 199 Ų | 199 | 170.6 Ų | 170.6 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | 171.3 | 73.3 | 125.5 | -90.7 | 167 | -172.6 | -177.7 | 0 | 110.7 | Q529 | K527-Q529 PolarHBondContact O-N 2.93Š| |||
| 528 | R | 23.3 | Very low | 25 | Very low | 248 Ų | 248 | 169.7 Ų | 169.7 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | -78.7 | 98 | 158.4 | -80.7 | -176 | 173.1 | -176.7 | -2 | 107.5 | T530 | R528-T530 PolarHBondContact O-N 2.78Š| ||
| 529 | Q | 25 | Very low | 25 | Very low | 185 Ų | 185 | 170 Ų | 170 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -86.3 | 100.9 | 169.1 | -153.2 | 170.6 | 6.1 | 0 | 0 | 106.7 | K527 F531 | K527-Q529 PolarHBondContact O-N 2.93Å; Q529-F531 PolarHBondContact O-N 3.36Å | ||
| 530 | T | 25.2 | Very low | 25.5 | Very low | 128 Ų | 128 | 172 Ų | 172 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -69 | 92.3 | 176 | 35.9 | 0 | 0 | 0 | 0 | 109.5 | R528 R532 | R528-T530 PolarHBondContact O-N 2.78Å; T530-R532 PolarHBondContact O-N 2.94Å; T530-R532 VanDerWaalsContact O-N 3.16Å | ||
| 531 | F | 23.2 | Very low | 25.6 | Very low | 193 Ų | 193 | 169.7 Ų | 169.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -81.1 | 91.3 | 167.5 | -144.3 | -97.7 | 0 | 0 | 0 | 108.4 | Q529 R533 | Q529-F531 PolarHBondContact O-N 3.36Å; F531-R533 PolarHBondContact O-N 3.36Å; F531-R533 VanDerWaalsContact O-N 3.09Å | ||
| 532 | R | 24.6 | Very low | 25.9 | Very low | 231 Ų | 231 | 171.1 Ų | 171.1 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -57.8 | 109.7 | 170.6 | -81.5 | 178.2 | 161.5 | 159.6 | -6.2 | 108.9 | T530 R534 | T530-R532 PolarHBondContact O-N 2.94Å; T530-R532 VanDerWaalsContact O-N 3.16Å; R532-R534 PolarHBondContact O-N 2.97Å; R532-R534 VanDerWaalsContact O-N 3.08Å | ||
| 533 | R | 22.6 | Very low | 26.3 | Very low | 243 Ų | 243 | 168.8 Ų | 168.8 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -60.8 | 104.7 | 165.5 | -93.3 | 178.7 | 167.2 | 159.9 | -5.6 | 108.3 | F531 | F531-R533 PolarHBondContact O-N 3.36Å; F531-R533 VanDerWaalsContact O-N 3.09Å | ||
| 534 | R | 23.5 | Very low | 26.6 | Very low | 204 Ų | 204 | 171.1 Ų | 171.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -90.3 | 101.2 | 172 | -166.5 | 177.3 | -161 | 159.2 | 4.8 | 107.3 | R532 R536 | R532-R534 PolarHBondContact O-N 2.97Å; R532-R534 VanDerWaalsContact O-N 3.08Å; R534-R536 PolarHBondContact O-N 3.23Å | ||
| 535 | V | 26.5 | Very low | 26.9 | Very low | 124 Ų | 124 | 174.2 Ų | 174.2 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -70.1 | 105.4 | 169.1 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | R537 | V535-R537 HydrophobicContact CG1-CG 4.24Š| ||
| 536 | R | 25.9 | Very low | 27.2 | Very low | 204 Ų | 204 | 180.4 Ų | 180.4 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -97.2 | 102.8 | 163.5 | -81.1 | -179.3 | 171.1 | 163.9 | -4.2 | 106.5 | R534 | R534-R536 PolarHBondContact O-N 3.23Š| ||
| 537 | R | 26.6 | Very low | 27.5 | Very low | 241 Ų | 241 | 177.4 Ų | 177.4 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -77.4 | 123.7 | 161.5 | -79.5 | -179.8 | 174.1 | 168.6 | -2.7 | 107.2 | V535 | V535-R537 HydrophobicContact CG1-CG 4.24Š| ||
| 538 | S | 28.4 | Very low | 27.7 | Very low | 99 Ų | 99 | 172.7 Ų | 172.7 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -140.3 | 110.5 | 176 | -163.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 539 | L | 26.7 | Very low | 28 | Very low | 148 Ų | 148 | 165.5 Ų | 165.5 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 57 | 142.2 | 139 | -63.3 | 165.7 | 0 | 0 | 0 | 121.6 | ||||
| 540 | D | 32.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 164.1 Ų | 164.1 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 75.3 | 139.9 | 159.8 | -55.7 | -20.5 | 0 | 0 | 0 | 116.6 | ||||
| 541 | S | 28.7 | Very low | 28.5 | Very low | 88 Ų | 88 | 164.7 Ų | 164.7 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | cis | -173 | 165.4 | -8.9 | 51.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 542 | D | 33.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 162.2 Ų | 162.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 83.1 | 93.4 | 155 | -46.1 | -38 | 0 | 0 | 0 | 119.5 | ||||
| 543 | D | 29.7 | Very low | 29.5 | Very low | 151 Ų | 151 | 158.4 Ų | 158.4 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | 41 | 111.5 | 117.7 | -57.9 | -21.1 | 0 | 0 | 0 | 119.1 | |||||
| 544 | E | 34.3 | Very low | 29.8 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | -161 | 127.7 | 119.5 | -106 | -178.3 | -163.9 | 0 | 0 | 111.1 | |||||
| 545 | E | 28.4 | Very low | 30.2 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 139.2 | -169.7 | -58.3 | 163.3 | 137.3 | 0 | 0 | 113.2 | ||||
| 546 | Q | 32.8 | Very low | 30.4 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 170.5 | 71.6 | 134.7 | -92.9 | 161.9 | 54.9 | 0 | 0 | 109.3 | ||||
| 547 | Q | 30.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 114.1 | 161.2 | -89.7 | 175 | -23.7 | 0 | 0 | 107.6 | T549 | Q547-T549 HydrophobicContact CB-CG2 4.48Å; Q547-T549 PolarHBondContact O-N 2.99Å | ||
| 548 | A | 30.3 | Very low | 30.7 | Very low | 100 Ų | 100 | 150 Ų | 150 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 103 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 549 | T | 28.8 | Very low | 30.8 | Very low | 98 Ų | 98 | 154 Ų | 154 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 100.4 | 168.9 | 49.2 | 0 | 0 | 0 | 0 | 107.1 | Q547 | Q547-T549 HydrophobicContact CB-CG2 4.48Å; Q547-T549 PolarHBondContact O-N 2.99Å | ||
| 550 | D | 31.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -95.4 | 102.3 | 155.6 | -74.2 | -32.1 | 0 | 0 | 0 | 105.6 | ||||
| 551 | D | 30.5 | Very low | 30.7 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -74 | 111.5 | 170.2 | -66.4 | -44.1 | 0 | 0 | 0 | 107.5 | ||||
| 552 | D | 35.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 161.2 Ų | 161.2 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -136.2 | 113.8 | 162.3 | -87.1 | -37.4 | 0 | 0 | 0 | 108.6 | ||||
| 553 | D | 33 | Very low | 30.5 | Very low | 151 Ų | 151 | 159.8 Ų | 159.8 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -52.2 | 152.5 | -172.2 | -68.7 | -57.8 | 0 | 0 | 0 | 114.3 | E555 | D553-E555 PolarHBondContact O-N 2.98Š| ||
| 554 | E | 29.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -70 | 112 | 176.1 | -62.8 | 173 | 163.9 | 0 | 0 | 109.8 | ||||
| 555 | E | 31.9 | Very low | 30.2 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -112 | 111.4 | 159.2 | -70.7 | -165.8 | 160.6 | 0 | 0 | 107.3 | D553 E557 R1266 | D553-E555 PolarHBondContact O-N 2.98Å; E555-E557 PolarHBondContact O-N 3.37Å; E555-R1266 IonicContact OE1-NH1 3.01Å; E555-R1266 PolarHBondContact OE1-NH1 3.16Å | ||
| 556 | E | 30.4 | Very low | 30.1 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -69.4 | 105.7 | 169.4 | -68.4 | -169 | 152.5 | 0 | 0 | 108.2 | D558 | E556-D558 PolarHBondContact O-N 2.85Š| ||
| 557 | E | 29.9 | Very low | 29.8 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -80.7 | 96.5 | 167.4 | -74.4 | -174.8 | 171.2 | 0 | 0 | 108.3 | E555 Q559 | E555-E557 PolarHBondContact O-N 3.37Å; E557-Q559 PolarHBondContact O-N 2.73Å | ||
| 558 | D | 30.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -61.4 | 128.7 | 170.2 | -83.8 | -39.1 | 0 | 0 | 0 | 110.3 | E556 E560 | E556-D558 PolarHBondContact O-N 2.85Å; D558-E560 PolarHBondContact O-N 2.87Å | ||
| 559 | Q | 30.4 | Very low | 29.6 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 124.2 | -178.5 | -66.6 | 166.2 | 31.2 | 0 | 0 | 110.3 | E557 E561 | E557-Q559 PolarHBondContact O-N 2.73Å; Q559-E561 PolarHBondContact O-N 3.42Å; Q559-E561 VanDerWaalsContact O-N 3.12Å | ||
| 560 | E | 28.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 157 Ų | 157 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -66.1 | 107.7 | 166.4 | -72.2 | -176.4 | 154.9 | 0 | 0 | 108.8 | D558 E562 | D558-E560 PolarHBondContact O-N 2.87Å; E560-E562 VanDerWaalsContact C-N 3.34Å; E560-E562 PolarHBondContact O-N 3.47Å | ||
| 561 | E | 28.5 | Very low | 29.3 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 95.9 | 160.1 | -70.4 | -168.5 | 167 | 0 | 0 | 107.8 | Q559 S563 | Q559-E561 PolarHBondContact O-N 3.42Å; Q559-E561 VanDerWaalsContact O-N 3.12Å; E561-S563 PolarHBondContact O-N 3.21Å | ||
| 562 | E | 29.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 114.8 | 164 | -78.9 | -170.6 | 158.2 | 0 | 0 | 108.1 | E560 D564 | E560-E562 VanDerWaalsContact C-N 3.34Å; E560-E562 PolarHBondContact O-N 3.47Å; E562-D564 PolarHBondContact O-N 3.3Å | ||
| 563 | S | 27.7 | Very low | 29 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -58.3 | 120 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | E561 D565 | E561-S563 PolarHBondContact O-N 3.21Å; S563-D565 PolarHBondContact O-N 3.46Å | ||
| 564 | D | 27.6 | Very low | 28.6 | Very low | 155 Ų | 155 | 157 Ų | 157 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -54.3 | 91.4 | 168.7 | -70.7 | -46.3 | 0 | 0 | 0 | 110.8 | E562 E566 | E562-D564 PolarHBondContact O-N 3.3Å; D564-E566 PolarHBondContact O-N 2.93Å | ||
| 565 | D | 29.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 97.9 | 158.2 | -84.2 | -29.7 | 0 | 0 | 0 | 107.3 | S563 V567 | S563-D565 PolarHBondContact O-N 3.46Å; D565-V567 PolarHBondContact O-N 3.15Å | ||
| 566 | E | 25.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -50.1 | 96.1 | 167.9 | -76.7 | -179.6 | 146.5 | 0 | 0 | 110 | D564 D568 | D564-E566 PolarHBondContact O-N 2.93Å; E566-D568 PolarHBondContact O-N 3.16Å | ||
| 567 | V | 27.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -81.8 | 103.7 | 162.7 | -97.6 | 0 | 0 | 0 | 0 | 108.1 | D565 V569 | D565-V567 PolarHBondContact O-N 3.15Å; V567-V569 PolarHBondContact O-N 3.07Å | ||
| 568 | D | 27.9 | Very low | 28.1 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -43.7 | 106.9 | 168.9 | -82.9 | -44.1 | 0 | 0 | 0 | 110.6 | E566 D570 | E566-D568 PolarHBondContact O-N 3.16Å; D568-D570 VanDerWaalsContact C-N 3.28Å; D568-D570 PolarHBondContact O-N 3.36Å | ||
| 569 | V | 28 | Very low | 27.9 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -75.8 | 87.9 | 171.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | V567 N571 | V567-V569 PolarHBondContact O-N 3.07Å; V569-N571 PolarHBondContact O-N 3.46Å | ||
| 570 | D | 28.2 | Very low | 28.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 101.7 | 168.9 | -109.7 | -19.7 | 0 | 0 | 0 | 109 | D568 S572 | D568-D570 VanDerWaalsContact C-N 3.28Å; D568-D570 PolarHBondContact O-N 3.36Å; D570-S572 PolarHBondContact O-N 2.75Å | ||
| 571 | N | 25.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -57.3 | 92.1 | 172.3 | -175.6 | 20.2 | 0 | 0 | 0 | 110.1 | V569 | V569-N571 PolarHBondContact O-N 3.46Š| ||
| 572 | S | 29.7 | Very low | 28.7 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -138.8 | 114.3 | 169.4 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | D570 | D570-S572 PolarHBondContact O-N 2.75Š| ||
| 573 | N | 29.3 | Very low | 29 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 101.9 | 156.4 | -61.4 | -25 | 0 | 0 | 0 | 117.9 | A575 | N573-A575 VanDerWaalsContact C-N 3.27Å; N573-A575 PolarHBondContact O-N 3.16Å | ||
| 574 | D | 26.2 | Very low | 29.5 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 96% | 0.963 | 74% | 0.741 | S | S | * | * | trans | -38.5 | 87.1 | 147.1 | -77.8 | -42.4 | 0 | 0 | 0 | 111.4 | ||||
| 575 | A | 28.3 | Very low | 30.4 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | trans | -85.9 | 109.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | N573 V577 | N573-A575 VanDerWaalsContact C-N 3.27Å; N573-A575 PolarHBondContact O-N 3.16Å; A575-V577 VanDerWaalsContact C-N 3.26Å; A575-V577 PolarHBondContact O-N 2.89Å | ||
| 576 | N | 27.9 | Very low | 31.1 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -54.2 | 79.5 | 179.5 | -149.8 | 8.4 | 0 | 0 | 0 | 111.1 | T578 | N576-T578 PolarHBondContact O-N 3.34Š| ||
| 577 | V | 26.9 | Very low | 32 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | -77.6 | 106.9 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | A575 L579 | A575-V577 VanDerWaalsContact C-N 3.26Å; A575-V577 PolarHBondContact O-N 2.89Å; V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.84Å | ||
| 578 | T | 26.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 113 Ų | 113 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -56.9 | 86.9 | 173.9 | -49.6 | 0 | 0 | 0 | 0 | 109.8 | N576 C580 | N576-T578 PolarHBondContact O-N 3.34Å; T578-C580 PolarHBondContact O-N 3.21Å | ||
| 579 | L | 27.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 108.1 Ų | 108.1 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | trans | -61 | 130.6 | 171.1 | -79.2 | 155.3 | 0 | 0 | 0 | 108.5 | V577 P581 | V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.84Å; L579-P581 WeakPolarHBondContact O-CD 3.49Å | ||
| 580 | C | 32.8 | Very low | 35 | Very low | 92 Ų | 92 | 102.4 Ų | 102.4 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | trans | -58.8 | 119 | 177.3 | -157.6 | 0 | 0 | 0 | 0 | 108.7 | T578 T582 | T578-C580 PolarHBondContact O-N 3.21Å; C580-T582 PolarHBondContact O-N 3.39Å | ||
| 581 | P | 32 | Very low | 36.2 | Very low | 87 Ų | 87 | 96.6 Ų | 96.6 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -3.6 | -167.6 | -19 | 30.8 | 0 | 0 | 0 | 115.2 | L579 L585 | L579-P581 WeakPolarHBondContact O-CD 3.49Å; P581-L585 WeakPolarHBondContact O-CB 3.24Å; P581-L585 PolarHBondContact O-N 3.14Å |
| 582 | T | 38.4 | Very low | 37.6 | Very low | 86 Ų | 86 | 94.9 Ų | 94.9 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.1 | -39.3 | -172.8 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | C580 L585 D586 | C580-T582 PolarHBondContact O-N 3.39Å; T582-L585 PolarHBondContact O-N 2.92Å; T582-D586 PolarHBondContact O-N 3.5Å |
| 583 | A | 36.4 | Very low | 38.8 | Very low | 69 Ų | 69 | 93.4 Ų | 93.4 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.5 | -38 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A587 | A583-A587 WeakPolarHBondContact O-CB 3.4Å; A583-A587 PolarHBondContact O-N 3.46Å |
| 584 | E | 37.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 86.6 Ų | 86.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 173.9 | -70.8 | -176.1 | 172.1 | 0 | 0 | 111.5 | A587 A588 | E584-A587 PolarHBondContact O-N 3.41Å; E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.32Å; E584-A588 PolarHBondContact O-N 2.97Å |
| 585 | L | 47.6 | Very low | 41.1 | Very low | 116 Ų | 116 | 79.9 Ų | 79.9 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | -114.1 | 152 | 0 | 0 | 0 | 111.8 | P581 T582 A588 A589 | P581-L585 WeakPolarHBondContact O-CB 3.24Å; P581-L585 PolarHBondContact O-N 3.14Å; T582-L585 PolarHBondContact O-N 2.92Å; L585-A588 PolarHBondContact O-N 3.49Å; L585-A589 VanDerWaalsContact O-CB 3.25Å; L585-A589 WeakPolarHBondContact O-CB 3.48Å; L585-A589 PolarHBondContact O-N 3.12Å |
| 586 | D | 43.6 | Very low | 42.4 | Very low | 95 Ų | 95 | 82.3 Ų | 82.3 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.9 | -75.6 | -16.3 | 0 | 0 | 0 | 111.8 | T582 A589 A590 | T582-D586 PolarHBondContact O-N 3.5Å; D586-A589 PolarHBondContact O-N 3.08Å; D586-A590 WeakPolarHBondContact O-CB 3.48Å; D586-A590 PolarHBondContact O-N 3Å |
| 587 | A | 43.9 | Very low | 43.6 | Very low | 12 Ų | 12 | 77.4 Ų | 77.4 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L452 A583 E584 L591 | L452-A587 HydrophobicContact CD2-CB 3.69Å; L452-A587 HydrophobicContact CG-CB 4.16Å; A583-A587 WeakPolarHBondContact O-CB 3.4Å; A583-A587 PolarHBondContact O-N 3.46Å; E584-A587 PolarHBondContact O-N 3.41Å; A587-L591 VanDerWaalsContact O-CB 3.24Å; A587-L591 WeakPolarHBondContact O-CB 3.47Å; A587-L591 PolarHBondContact O-N 3.48Å |
| 588 | A | 47.7 | Very low | 44.7 | Very low | 47 Ų | 47 | 72.4 Ų | 72.4 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E584 L585 L591 E592 | E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.32Å; E584-A588 PolarHBondContact O-N 2.97Å; L585-A588 PolarHBondContact O-N 3.49Å; A588-L591 WeakPolarHBondContact O-CB 3.22Å; A588-L591 PolarHBondContact O-N 3.23Å; A588-E592 WeakPolarHBondContact O-CB 3.49Å; A588-E592 WeakPolarHBondContact O-CG 3.36Å; A588-E592 PolarHBondContact O-N 2.72Å |
| 589 | A | 52.2 | Low | 45.9 | Very low | 49 Ų | 49 | 67 Ų | 67 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L585 D586 L591 E592 A593 | L585-A589 VanDerWaalsContact O-CB 3.25Å; L585-A589 WeakPolarHBondContact O-CB 3.48Å; L585-A589 PolarHBondContact O-N 3.12Å; D586-A589 PolarHBondContact O-N 3.08Å; A589-L591 VanDerWaalsContact C-N 3.32Å; A589-E592 PolarHBondContact O-N 3.22Å; A589-A593 WeakPolarHBondContact O-CB 3.31Å; A589-A593 PolarHBondContact O-N 3.11Å |
| 590 | A | 48.2 | Very low | 47 | Very low | 20 Ų | 20 | 64 Ų | 64 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P448 D586 A594 | P448-A590 HydrophobicContact CB-CB 3.54Å; D586-A590 WeakPolarHBondContact O-CB 3.48Å; D586-A590 PolarHBondContact O-N 3Å; A590-A594 VanDerWaalsContact O-CB 3.27Å; A590-A594 WeakPolarHBondContact O-CB 3.47Å; A590-A594 PolarHBondContact O-N 3.08Å |
| 591 | L | 52.2 | Low | 47.8 | Very low | 24 Ų | 24 | 63.4 Ų | 63.4 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 174.1 | -170.4 | 76.6 | 0 | 0 | 0 | 111.4 | V460 A587 A588 A589 A594 I595 L656 | V460-L591 HydrophobicContact CG1-CD1 4.33Å; V460-L591 HydrophobicContact CG1-CD2 3.58Å; V460-L591 HydrophobicContact CG2-CD2 4.36Å; A587-L591 VanDerWaalsContact O-CB 3.24Å; A587-L591 WeakPolarHBondContact O-CB 3.47Å; A587-L591 PolarHBondContact O-N 3.48Å; A588-L591 WeakPolarHBondContact O-CB 3.22Å; A588-L591 PolarHBondContact O-N 3.23Å; A589-L591 VanDerWaalsContact C-N 3.32Å; L591-A594 WeakPolarHBondContact O-CB 3.33Å; L591-A594 PolarHBondContact O-N 3.03Å; L591-I595 HydrophobicContact CD2-CD1 4.42Å; L591-I595 HydrophobicContact CG-CD1 4.04Å; L591-I595 WeakPolarHBondContact O-CG1 3.38Å; L591-I595 PolarHBondContact O-N 2.74Å; L591-L656 HydrophobicContact CD1-CD2 3.36Å; L591-L656 HydrophobicContact CG-CD2 4.47Å |
| 592 | E | 54.9 | Low | 48.5 | Very low | 126 Ų | 126 | 59.9 Ų | 59.9 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.7 | -46.7 | 177 | -80.1 | -171.1 | 167.7 | 0 | 0 | 111.7 | A588 A589 A594 I595 H596 | A588-E592 WeakPolarHBondContact O-CB 3.49Å; A588-E592 WeakPolarHBondContact O-CG 3.36Å; A588-E592 PolarHBondContact O-N 2.72Å; A589-E592 PolarHBondContact O-N 3.22Å; E592-A594 VanDerWaalsContact C-N 3.25Å; E592-A594 PolarHBondContact O-N 3.19Å; E592-I595 PolarHBondContact O-N 3.24Å; E592-H596 PolarHBondContact O-CD2 2.82Å; E592-H596 PolarHBondContact O-N 2.95Å |
| 593 | A | 54.1 | Low | 48.9 | Very low | 63 Ų | 63 | 58.7 Ų | 58.7 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A589 H596 S597 | A589-A593 WeakPolarHBondContact O-CB 3.31Å; A589-A593 PolarHBondContact O-N 3.11Å; A593-H596 PolarHBondContact O-N 3.25Å; A593-S597 PolarHBondContact O-N 3.12Å |
| 594 | A | 51.1 | Low | 49.3 | Very low | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.9 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A590 L591 E592 H596 S597 A598 Y655 | A590-A594 VanDerWaalsContact O-CB 3.27Å; A590-A594 WeakPolarHBondContact O-CB 3.47Å; A590-A594 PolarHBondContact O-N 3.08Å; L591-A594 WeakPolarHBondContact O-CB 3.33Å; L591-A594 PolarHBondContact O-N 3.03Å; E592-A594 VanDerWaalsContact C-N 3.25Å; E592-A594 PolarHBondContact O-N 3.19Å; A594-H596 VanDerWaalsContact C-N 3.29Å; A594-H596 PolarHBondContact O-N 3.19Å; A594-S597 PolarHBondContact O-N 3.11Å; A594-A598 WeakPolarHBondContact O-CB 3.42Å; A594-A598 PolarHBondContact O-N 2.74Å; A594-Y655 HydrophobicContact CB-CD1 4.27Å; A594-Y655 HydrophobicContact CB-CE1 3.42Å; A594-Y655 VanDerWaalsContact CB-CE1 3.42Å; A594-Y655 HydrophobicContact CB-CE2 4.12Å; A594-Y655 VanDerWaalsContact CB-OH 3.23Å; A594-Y655 WeakPolarHBondContact CB-OH 3.36Å |
| 595 | I | 52.5 | Low | 49.5 | Very low | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.205 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 172 | -68.3 | 167.7 | 0 | 0 | 0 | 109.9 | L591 E592 A598 A599 C652 | L591-I595 HydrophobicContact CD2-CD1 4.42Å; L591-I595 HydrophobicContact CG-CD1 4.04Å; L591-I595 WeakPolarHBondContact O-CG1 3.38Å; L591-I595 PolarHBondContact O-N 2.74Å; E592-I595 PolarHBondContact O-N 3.24Å; I595-A598 PolarHBondContact O-N 3.5Å; I595-A599 WeakPolarHBondContact O-CB 3.3Å; I595-A599 PolarHBondContact O-N 2.82Å; I595-C652 HydrophobicContact CG2-CB 4.36Å |
| 596 | H | 56.7 | Low | 49 | Very low | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.606 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 175 | -80.2 | -65.8 | 0 | 0 | 0 | 112.3 | E592 A593 A594 A599 A600 | E592-H596 PolarHBondContact O-CD2 2.82Å; E592-H596 PolarHBondContact O-N 2.95Å; A593-H596 PolarHBondContact O-N 3.25Å; A594-H596 VanDerWaalsContact C-N 3.29Å; A594-H596 PolarHBondContact O-N 3.19Å; H596-A599 PolarHBondContact O-N 3.38Å; H596-A600 WeakPolarHBondContact O-CB 3.5Å; H596-A600 PolarHBondContact O-N 2.74Å |
| 597 | S | 53.4 | Low | 48.3 | Very low | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | A593 A594 A599 A600 V601 | A593-S597 PolarHBondContact O-N 3.12Å; A594-S597 PolarHBondContact O-N 3.11Å; S597-A599 VanDerWaalsContact C-N 3.31Å; S597-A599 PolarHBondContact O-N 3.36Å; S597-A600 WeakPolarHBondContact O-CB 3.36Å; S597-A600 PolarHBondContact O-N 2.97Å; S597-A600 VanDerWaalsContact O-N 3.15Å; S597-V601 WeakPolarHBondContact O-CG2 3.44Å; S597-V601 PolarHBondContact O-N 3.48Å |
| 598 | A | 50.5 | Low | 47.7 | Very low | 11 Ų | 11 | 63.5 Ų | 63.5 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A594 I595 V601 A602 Y655 | A594-A598 WeakPolarHBondContact O-CB 3.42Å; A594-A598 PolarHBondContact O-N 2.74Å; I595-A598 PolarHBondContact O-N 3.5Å; A598-V601 PolarHBondContact O-N 2.74Å; A598-A602 WeakPolarHBondContact O-CB 2.99Å; A598-A602 PolarHBondContact O-N 3.02Å; A598-Y655 HydrophobicContact CB-CD2 4.47Å; A598-Y655 HydrophobicContact CB-CG 4.26Å |
| 599 | A | 50.7 | Low | 46.7 | Very low | 18 Ų | 18 | 68.7 Ų | 68.7 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I595 H596 S597 A602 A603 R648 | I595-A599 WeakPolarHBondContact O-CB 3.3Å; I595-A599 PolarHBondContact O-N 2.82Å; H596-A599 PolarHBondContact O-N 3.38Å; S597-A599 VanDerWaalsContact C-N 3.31Å; S597-A599 PolarHBondContact O-N 3.36Å; A599-A602 PolarHBondContact O-N 3.28Å; A599-A603 PolarHBondContact O-N 2.89Å; A599-R648 HydrophobicContact CB-CG 3.62Å |
| 600 | A | 50.4 | Low | 45.5 | Very low | 66 Ų | 66 | 71.6 Ų | 71.6 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H596 S597 A602 A603 G604 | H596-A600 WeakPolarHBondContact O-CB 3.5Å; H596-A600 PolarHBondContact O-N 2.74Å; S597-A600 WeakPolarHBondContact O-CB 3.36Å; S597-A600 PolarHBondContact O-N 2.97Å; S597-A600 VanDerWaalsContact O-N 3.15Å; A600-A602 VanDerWaalsContact C-N 3.32Å; A600-A602 PolarHBondContact O-N 3.06Å; A600-A603 PolarHBondContact O-N 3.4Å; A600-G604 PolarHBondContact O-N 3.23Å; A600-G604 VanDerWaalsContact O-N 3.17Å |
| 601 | V | 50.2 | Low | 44.4 | Very low | 79 Ų | 79 | 75.9 Ų | 75.9 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | S597 A598 G604 | S597-V601 WeakPolarHBondContact O-CG2 3.44Å; S597-V601 PolarHBondContact O-N 3.48Å; A598-V601 PolarHBondContact O-N 2.74Å; V601-G604 PolarHBondContact O-N 2.92Å |
| 602 | A | 47.1 | Very low | 43.2 | Very low | 14 Ų | 14 | 80.7 Ų | 80.7 | 12% | 0.116 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A598 A599 A600 G604 S605 V647 A651 | A598-A602 WeakPolarHBondContact O-CB 2.99Å; A598-A602 PolarHBondContact O-N 3.02Å; A599-A602 PolarHBondContact O-N 3.28Å; A600-A602 VanDerWaalsContact C-N 3.32Å; A600-A602 PolarHBondContact O-N 3.06Å; A602-G604 VanDerWaalsContact C-N 3.28Å; A602-G604 PolarHBondContact O-N 3.35Å; A602-S605 PolarHBondContact O-N 3.47Å; A602-V647 HydrophobicContact CB-CG1 4.16Å; A602-A651 HydrophobicContact CB-CB 3.58Å |
| 603 | A | 47 | Very low | 41.7 | Very low | 61 Ų | 61 | 83.9 Ų | 83.9 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A599 A600 S605 V606 | A599-A603 PolarHBondContact O-N 2.89Å; A600-A603 PolarHBondContact O-N 3.4Å; A603-S605 PolarHBondContact O-N 3.28Å; A603-V606 PolarHBondContact O-N 3.09Å |
| 604 | G | 43.4 | Very low | 40.4 | Very low | 58 Ų | 58 | 87.7 Ų | 87.7 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -20.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A600 V601 A602 | A600-G604 PolarHBondContact O-N 3.23Å; A600-G604 VanDerWaalsContact O-N 3.17Å; V601-G604 PolarHBondContact O-N 2.92Å; A602-G604 VanDerWaalsContact C-N 3.28Å; A602-G604 PolarHBondContact O-N 3.35Å |
| 605 | S | 41.6 | Very low | 39.2 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -90.1 | -15.8 | 179.8 | -161.4 | 0 | 0 | 0 | 0 | 114.3 | A602 A603 | A602-S605 PolarHBondContact O-N 3.47Å; A603-S605 PolarHBondContact O-N 3.28Å |
| 606 | V | 37.3 | Very low | 37.8 | Very low | 92 Ų | 92 | 98.6 Ų | 98.6 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -98.9 | -20.2 | -174.5 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | A603 N608 V647 | A603-V606 PolarHBondContact O-N 3.09Å; V606-N608 PolarHBondContact O-N 3.39Å; V606-V647 HydrophobicContact CG2-CG1 4.08Å |
| 607 | N | 29.7 | Very low | 36.4 | Very low | 146 Ų | 146 | 99.4 Ų | 99.4 | 78% | 0.781 | 61% | 0.606 | S | S | * | * | trans | -78.9 | 20.7 | -172.2 | -113.7 | 10.9 | 0 | 0 | 0 | 116.5 | N609 | N607-N609 PolarHBondContact O-N 2.96Š| ||
| 608 | N | 30.1 | Very low | 35 | Very low | 129 Ų | 129 | 100 Ų | 100 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | trans | -95.8 | 40.8 | 179.2 | -85 | -15 | 0 | 0 | 0 | 114 | V606 | V606-N608 PolarHBondContact O-N 3.39Š| ||
| 609 | N | 26.9 | Very low | 33.9 | Very low | 156 Ų | 156 | 107.6 Ų | 107.6 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | trans | -118.7 | 112.1 | 164.2 | -101.2 | -8.2 | 0 | 0 | 0 | 110.2 | N607 | N607-N609 PolarHBondContact O-N 2.96Š| ||
| 610 | P | 26.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 71% | 0.714 | 69% | 0.692 | S | S | * | * | trans | -79.4 | 154.2 | 178 | 34.6 | -33.1 | 0 | 0 | 0 | 110.3 | ||||
| 611 | S | 25.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 114 Ų | 114 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | 74.9 | 93.6 | 165.9 | 68.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 612 | V | 27.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 114 Ų | 114 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | -146.8 | 94.8 | 124.2 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | N614 | V612-N614 PolarHBondContact O-N 3.45Š| |||
| 613 | E | 24.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 120.8 Ų | 120.8 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -63.4 | 117.1 | 160.6 | -70.1 | 173.7 | 149.2 | 0 | 0 | 107.8 | ||||
| 614 | N | 25.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -132.7 | 105.1 | 162.7 | -100.7 | -18.8 | 0 | 0 | 0 | 109.8 | V612 C616 | V612-N614 PolarHBondContact O-N 3.45Å; N614-C616 PolarHBondContact O-N 3.34Å | ||
| 615 | N | 26.1 | Very low | 28.1 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -48.3 | 114.6 | 164.7 | -94.6 | -28.5 | 0 | 0 | 0 | 111.1 | ||||
| 616 | C | 24.7 | Very low | 27.5 | Very low | 130 Ų | 130 | 133 Ų | 133 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -110.7 | 95.7 | 156.4 | -82.5 | 0 | 0 | 0 | 0 | 108.4 | N614 | N614-C616 PolarHBondContact O-N 3.34Š| ||
| 617 | I | 25.6 | Very low | 27.1 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -78.4 | 137.8 | 166.7 | -69.5 | 171.3 | 0 | 0 | 0 | 107.8 | ||||
| 618 | G | 24.4 | Very low | 27 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 150.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 619 | I | 27.5 | Very low | 27 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -123.8 | 109.4 | 156.8 | -60.8 | 180 | 0 | 0 | 0 | 106.6 | ||||
| 620 | T | 24.5 | Very low | 27.3 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -88.2 | 132.5 | 170.3 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 621 | G | 27 | Very low | 27.9 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 106 | 132.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 622 | G | 29.4 | Very low | 28.4 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 127.9 | 100.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 623 | N | 26.4 | Very low | 29.3 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -50.8 | 130.6 | 167.1 | -67.2 | -22.9 | 0 | 0 | 0 | 111.2 | ||||
| 624 | D | 33.3 | Very low | 30.8 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -147.9 | 136.6 | 142 | -101.8 | -29.2 | 0 | 0 | 0 | 111.4 | ||||
| 625 | L | 27.6 | Very low | 32.5 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -81.3 | 153 | -176.5 | -111 | 109.5 | 0 | 0 | 0 | 110.4 | ||||
| 626 | M | 28.4 | Very low | 34.7 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 83.8 | 114 | 159.5 | -58.5 | -60.9 | -148 | 0 | 0 | 119.1 | ||||
| 627 | T | 27.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | 67.2 | 116.5 | 127 | 59 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 628 | E | 28.6 | Very low | 39.1 | Very low | 182 Ų | 182 | 117.5 Ų | 117.5 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | 72.8 | 62.6 | 136.8 | -62.2 | -174.2 | -176.5 | 0 | 0 | 117.6 | ||||
| 629 | S | 29.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -149.8 | 88.2 | 141.6 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | P631 | S629-P631 WeakPolarHBondContact O-CD 3.26Å; S629-P631 VanDerWaalsContact O-N 3.08Å | ||
| 630 | S | 32.6 | Very low | 44 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -55.2 | 119.1 | 169.6 | -67.9 | 0 | 0 | 0 | 0 | 107.5 | L632 | S630-L632 PolarHBondContact O-N 2.85Å; S630-L632 VanDerWaalsContact O-N 3.11Å | ||
| 631 | P | 39.7 | Very low | 46.7 | Very low | 119 Ų | 119 | 111.2 Ų | 111.2 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -64.6 | 121 | -177.9 | 25.5 | -30.2 | 0 | 0 | 0 | 106.6 | S629 R633 | S629-P631 WeakPolarHBondContact O-CD 3.26Å; S629-P631 VanDerWaalsContact O-N 3.08Å; P631-R633 VanDerWaalsContact C-N 3.29Å; P631-R633 PolarHBondContact O-N 3.47Å | ||
| 632 | L | 36.3 | Very low | 49.4 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 93% | 0.927 | 63% | 0.627 | S | S | * | * | trans | -50.2 | 95 | 173.2 | -68.4 | 160.4 | 0 | 0 | 0 | 108.2 | S630 S634 | S630-L632 PolarHBondContact O-N 2.85Å; S630-L632 VanDerWaalsContact O-N 3.11Å; L632-S634 PolarHBondContact O-N 3.17Å | ||
| 633 | R | 45.5 | Very low | 51.9 | Low | 155 Ų | 155 | 107.7 Ų | 107.7 | 59% | 0.585 | 61% | 0.606 | S | S | * | * | trans | -59.5 | 113.4 | 168.7 | -175.5 | 175.3 | -177 | 179.7 | -1.2 | 104.7 | P631 T635 V637 | P631-R633 VanDerWaalsContact C-N 3.29Å; P631-R633 PolarHBondContact O-N 3.47Å; R633-T635 PolarHBondContact O-N 3.44Å; R633-V637 HydrophobicContact CG-CB 4.16Å; R633-V637 HydrophobicContact CG-CG1 4.24Å | ||
| 634 | S | 55.4 | Low | 54.5 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 53% | 0.531 | 59% | 0.585 | S | S | . | * | trans | -48.9 | 133.9 | -174.9 | -159.7 | 0 | 0 | 0 | 0 | 109.8 | L632 S636 V637 A638 | L632-S634 PolarHBondContact O-N 3.17Å; S634-S636 PolarHBondContact O-N 3Å; S634-V637 PolarHBondContact O-N 3Å; S634-A638 PolarHBondContact O-N 3.01Å | ||
| 635 | T | 63.2 | Low | 57 | Low | 75 Ų | 75 | 96.2 Ų | 96.2 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -48 | -34.5 | -177.3 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | V478 R633 V637 A638 Q639 | V478-T635 HydrophobicContact CG1-CG2 4.46Å; R633-T635 PolarHBondContact O-N 3.44Å; T635-V637 PolarHBondContact O-N 3.01Å; T635-A638 PolarHBondContact O-N 3.25Å; T635-Q639 WeakPolarHBondContact O-CB 3.42Å; T635-Q639 PolarHBondContact O-N 3.31Å |
| 636 | S | 70.9 | Confident | 59.7 | Low | 67 Ų | 67 | 89.3 Ų | 89.3 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 176 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | S634 T640 | S634-S636 PolarHBondContact O-N 3Å; S636-T640 WeakPolarHBondContact O-CB 3.44Å; S636-T640 PolarHBondContact O-N 3.27Å; S636-T640 PolarHBondContact O-OG1 2.79Å |
| 637 | V | 70.1 | Confident | 62.3 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.3 | -38.3 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | R633 S634 T635 Q641 | R633-V637 HydrophobicContact CG-CB 4.16Å; R633-V637 HydrophobicContact CG-CG1 4.24Å; S634-V637 PolarHBondContact O-N 3Å; T635-V637 PolarHBondContact O-N 3.01Å; V637-Q641 WeakPolarHBondContact O-CB 3.43Å; V637-Q641 PolarHBondContact O-N 3.08Å |
| 638 | A | 73.1 | Confident | 64.8 | Low | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S634 T635 Q641 L642 | S634-A638 PolarHBondContact O-N 3.01Å; T635-A638 PolarHBondContact O-N 3.25Å; A638-Q641 PolarHBondContact O-N 3.12Å; A638-L642 WeakPolarHBondContact O-CB 3.35Å; A638-L642 PolarHBondContact O-N 3.05Å |
| 639 | Q | 77.8 | Confident | 67.5 | Low | 59 Ų | 59 | 76.3 Ų | 76.3 | 28% | 0.276 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 176.3 | -170.4 | 176 | 10.1 | 0 | 0 | 112 | L475 V478 T635 Q641 L642 T643 | L475-Q639 HydrophobicContact CD1-CG 4.36Å; V478-Q639 HydrophobicContact CG1-CB 4.29Å; V478-Q639 HydrophobicContact CG1-CG 4.31Å; T635-Q639 WeakPolarHBondContact O-CB 3.42Å; T635-Q639 PolarHBondContact O-N 3.31Å; Q639-Q641 PolarHBondContact O-N 2.89Å; Q639-L642 PolarHBondContact O-N 3.14Å; Q639-T643 WeakPolarHBondContact O-CB 3.35Å; Q639-T643 PolarHBondContact O-N 3.26Å; Q639-T643 PolarHBondContact O-OG1 2.97Å |
| 640 | T | 76.6 | Confident | 70.1 | Confident | 96 Ų | 96 | 77 Ų | 77 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.1 | S636 T643 A644 | S636-T640 WeakPolarHBondContact O-CB 3.44Å; S636-T640 PolarHBondContact O-N 3.27Å; S636-T640 PolarHBondContact O-OG1 2.79Å; T640-T643 PolarHBondContact O-N 3.43Å; T640-A644 PolarHBondContact O-N 3.2Å |
| 641 | Q | 80.6 | Confident | 72.2 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.4 | -176.8 | 65 | 41 | 0 | 0 | 112 | V637 A638 Q639 T643 A644 D645 | V637-Q641 WeakPolarHBondContact O-CB 3.43Å; V637-Q641 PolarHBondContact O-N 3.08Å; A638-Q641 PolarHBondContact O-N 3.12Å; Q639-Q641 PolarHBondContact O-N 2.89Å; Q641-T643 VanDerWaalsContact C-N 3.29Å; Q641-T643 PolarHBondContact O-N 3.47Å; Q641-A644 WeakPolarHBondContact O-CB 3.33Å; Q641-A644 PolarHBondContact O-N 2.93Å; Q641-D645 PolarHBondContact O-N 3.12Å |
| 642 | L | 84.4 | Confident | 74.1 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 178.8 | -177 | 60 | 0 | 0 | 0 | 111.8 | L471 L474 L475 V478 A638 Q639 D645 V646 | L471-L642 HydrophobicContact CD2-CD1 3.94Å; L474-L642 HydrophobicContact CB-CD1 4.45Å; L474-L642 HydrophobicContact CB-CD2 4.18Å; L475-L642 HydrophobicContact CB-CD2 4.01Å; L475-L642 HydrophobicContact CB-CG 4.21Å; L475-L642 HydrophobicContact CD1-CB 4.26Å; L475-L642 HydrophobicContact CD1-CD2 3.93Å; L475-L642 HydrophobicContact CD1-CG 3.92Å; V478-L642 HydrophobicContact CG2-CD2 4.17Å; A638-L642 WeakPolarHBondContact O-CB 3.35Å; A638-L642 PolarHBondContact O-N 3.05Å; Q639-L642 PolarHBondContact O-N 3.14Å; L642-D645 PolarHBondContact O-N 2.84Å; L642-V646 WeakPolarHBondContact O-CG2 3.05Å; L642-V646 PolarHBondContact O-N 2.86Å |
| 643 | T | 82 | Confident | 76.4 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.1 | -50.8 | 0 | 0 | 0 | 0 | 111 | Q639 T640 Q641 D645 V646 V647 | Q639-T643 WeakPolarHBondContact O-CB 3.35Å; Q639-T643 PolarHBondContact O-N 3.26Å; Q639-T643 PolarHBondContact O-OG1 2.97Å; T640-T643 PolarHBondContact O-N 3.43Å; Q641-T643 VanDerWaalsContact C-N 3.29Å; Q641-T643 PolarHBondContact O-N 3.47Å; T643-D645 VanDerWaalsContact C-N 3.34Å; T643-D645 PolarHBondContact O-N 3.42Å; T643-V646 PolarHBondContact O-N 3.02Å; T643-V647 WeakPolarHBondContact O-CG2 3.24Å; T643-V647 PolarHBondContact O-N 2.79Å |
| 644 | A | 81.1 | Confident | 78 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | T640 Q641 V647 R648 | T640-A644 PolarHBondContact O-N 3.2Å; Q641-A644 WeakPolarHBondContact O-CB 3.33Å; Q641-A644 PolarHBondContact O-N 2.93Å; A644-V647 PolarHBondContact O-N 3.39Å; A644-R648 WeakPolarHBondContact O-CB 3.48Å; A644-R648 PolarHBondContact O-N 2.97Å |
| 645 | D | 84.9 | Confident | 79.1 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 176.1 | -74.4 | -33.5 | 0 | 0 | 0 | 112.4 | Q641 L642 T643 R648 Q649 | Q641-D645 PolarHBondContact O-N 3.12Å; L642-D645 PolarHBondContact O-N 2.84Å; T643-D645 VanDerWaalsContact C-N 3.34Å; T643-D645 PolarHBondContact O-N 3.42Å; D645-R648 PolarHBondContact O-N 3.19Å; D645-R648 IonicContact OD1-CZ 3.31Å; D645-R648 IonicContact OD1-NE 2.8Å; D645-R648 IonicContact OD1-NH2 3.8Å; D645-R648 PolarHBondContact OD1-NH2 3.4Å; D645-Q649 WeakPolarHBondContact O-CB 3.49Å; D645-Q649 PolarHBondContact O-N 2.87Å |
| 646 | V | 85.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 172.6 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L468 L471 E472 L475 L642 T643 R648 Q649 R650 | L468-V646 HydrophobicContact CD1-CG1 4.21Å; L471-V646 HydrophobicContact CB-CG2 3.78Å; E472-V646 HydrophobicContact CG-CG1 3.96Å; L475-V646 HydrophobicContact CB-CG2 4.43Å; L475-V646 HydrophobicContact CD2-CG2 4.21Å; L642-V646 WeakPolarHBondContact O-CG2 3.05Å; L642-V646 PolarHBondContact O-N 2.86Å; T643-V646 PolarHBondContact O-N 3.02Å; V646-R648 VanDerWaalsContact C-N 3.34Å; V646-R648 PolarHBondContact O-N 3.18Å; V646-Q649 PolarHBondContact O-N 2.84Å; V646-R650 HydrophobicContact CG1-CG 4.37Å; V646-R650 WeakPolarHBondContact O-CB 3.25Å; V646-R650 WeakPolarHBondContact O-CG 3.27Å; V646-R650 PolarHBondContact O-N 3.16Å |
| 647 | V | 82.6 | Confident | 80.4 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 30% | 0.303 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | A602 V606 T643 A644 R650 A651 | A602-V647 HydrophobicContact CB-CG1 4.16Å; V606-V647 HydrophobicContact CG2-CG1 4.08Å; T643-V647 WeakPolarHBondContact O-CG2 3.24Å; T643-V647 PolarHBondContact O-N 2.79Å; A644-V647 PolarHBondContact O-N 3.39Å; V647-R650 PolarHBondContact O-N 2.73Å; V647-A651 PolarHBondContact O-N 3.24Å |
| 648 | R | 80.2 | Confident | 80.9 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176 | 178.1 | 172.8 | 59.1 | 124.1 | -2.8 | 111.9 | A599 A644 D645 V646 A651 C652 | A599-R648 HydrophobicContact CB-CG 3.62Å; A644-R648 WeakPolarHBondContact O-CB 3.48Å; A644-R648 PolarHBondContact O-N 2.97Å; D645-R648 PolarHBondContact O-N 3.19Å; D645-R648 IonicContact OD1-CZ 3.31Å; D645-R648 IonicContact OD1-NE 2.8Å; D645-R648 IonicContact OD1-NH2 3.8Å; D645-R648 PolarHBondContact OD1-NH2 3.4Å; V646-R648 VanDerWaalsContact C-N 3.34Å; V646-R648 PolarHBondContact O-N 3.18Å; R648-A651 PolarHBondContact O-N 3.31Å; R648-C652 PolarHBondContact O-N 3.3Å |
| 649 | Q | 86.1 | Confident | 81.3 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 179 | -170.1 | 66.7 | 22.3 | 0 | 0 | 111.8 | E464 L468 L471 D645 V646 A651 C652 V653 | E464-Q649 PolarHBondContact O-NE2 3.03Å; E464-Q649 PolarHBondContact OE2-NE2 3.46Å; L468-Q649 HydrophobicContact CB-CG 3.75Å; L468-Q649 HydrophobicContact CD1-CB 4.06Å; L468-Q649 HydrophobicContact CD1-CG 4.05Å; L468-Q649 HydrophobicContact CG-CG 4.47Å; L471-Q649 HydrophobicContact CD1-CB 3.92Å; L471-Q649 HydrophobicContact CD1-CG 4.1Å; D645-Q649 WeakPolarHBondContact O-CB 3.49Å; D645-Q649 PolarHBondContact O-N 2.87Å; V646-Q649 PolarHBondContact O-N 2.84Å; Q649-A651 VanDerWaalsContact C-N 3.32Å; Q649-A651 PolarHBondContact O-N 2.92Å; Q649-C652 WeakPolarHBondContact O-CB 3.44Å; Q649-C652 PolarHBondContact O-N 3.25Å; Q649-V653 WeakPolarHBondContact O-CG2 3.33Å; Q649-V653 PolarHBondContact O-N 3.04Å |
| 650 | R | 83.9 | Confident | 81.5 | Confident | 131 Ų | 131 | 45.9 Ų | 45.9 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 172.6 | -75.8 | -178.6 | 176.8 | 172.8 | -1.9 | 111.9 | L468 E472 V646 V647 V653 A654 | L468-R650 HydrophobicContact CD1-CB 4.47Å; L468-R650 HydrophobicContact CD1-CG 3.48Å; L468-R650 VanDerWaalsContact CD1-CG 3.48Å; L468-R650 HydrophobicContact CD2-CG 3.78Å; L468-R650 HydrophobicContact CG-CG 4.27Å; E472-R650 IonicContact OE1-CZ 3.95Å; E472-R650 IonicContact OE1-NE 3.42Å; E472-R650 PolarHBondContact OE1-NE 3.04Å; E472-R650 IonicContact OE1-NH2 3.56Å; E472-R650 PolarHBondContact OE1-NH2 3.11Å; V646-R650 HydrophobicContact CG1-CG 4.37Å; V646-R650 WeakPolarHBondContact O-CB 3.25Å; V646-R650 WeakPolarHBondContact O-CG 3.27Å; V646-R650 PolarHBondContact O-N 3.16Å; V647-R650 PolarHBondContact O-N 2.73Å; R650-V653 PolarHBondContact O-N 3.26Å; R650-A654 WeakPolarHBondContact O-CB 3.42Å; R650-A654 PolarHBondContact O-N 2.66Å |
| 651 | A | 76.8 | Confident | 82 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A602 V647 R648 Q649 A654 Y655 | A602-A651 HydrophobicContact CB-CB 3.58Å; V647-A651 PolarHBondContact O-N 3.24Å; R648-A651 PolarHBondContact O-N 3.31Å; Q649-A651 VanDerWaalsContact C-N 3.32Å; Q649-A651 PolarHBondContact O-N 2.92Å; A651-A654 PolarHBondContact O-N 3.42Å; A651-Y655 WeakPolarHBondContact O-CB 3.49Å; A651-Y655 PolarHBondContact O-N 2.86Å |
| 652 | C | 80.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -53.1 | 171.5 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | I595 R648 Q649 A654 Y655 L656 | I595-C652 HydrophobicContact CG2-CB 4.36Å; R648-C652 PolarHBondContact O-N 3.3Å; Q649-C652 WeakPolarHBondContact O-CB 3.44Å; Q649-C652 PolarHBondContact O-N 3.25Å; C652-A654 PolarHBondContact O-N 2.94Å; C652-Y655 WeakPolarHBondContact O-CB 3.18Å; C652-Y655 PolarHBondContact O-N 3.12Å; C652-L656 WeakPolarHBondContact O-CG 3.21Å; C652-L656 PolarHBondContact O-N 3.23Å |
| 653 | V | 83 | Confident | 82.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | E464 T465 L468 Q649 R650 Y655 L656 L657 | E464-V653 HydrophobicContact CB-CG2 4.22Å; E464-V653 WeakPolarHBondContact O-CG2 3.35Å; T465-V653 HydrophobicContact CG2-CG1 3.62Å; T465-V653 HydrophobicContact CG2-CG2 4.24Å; L468-V653 HydrophobicContact CB-CG2 4.27Å; L468-V653 HydrophobicContact CD2-CB 4.43Å; L468-V653 HydrophobicContact CD2-CG2 4.16Å; Q649-V653 WeakPolarHBondContact O-CG2 3.33Å; Q649-V653 PolarHBondContact O-N 3.04Å; R650-V653 PolarHBondContact O-N 3.26Å; V653-Y655 VanDerWaalsContact C-N 3.32Å; V653-Y655 PolarHBondContact O-N 2.86Å; V653-L656 PolarHBondContact O-N 3.06Å; V653-L657 HydrophobicContact CG1-CD1 4.08Å; V653-L657 HydrophobicContact CG1-CG 4.45Å; V653-L657 WeakPolarHBondContact O-CG 3.34Å; V653-L657 PolarHBondContact O-N 3.49Å |
| 654 | A | 79.6 | Confident | 82.7 | Confident | 52 Ų | 52 | 38.9 Ų | 38.9 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R650 A651 C652 L657 E658 | R650-A654 WeakPolarHBondContact O-CB 3.42Å; R650-A654 PolarHBondContact O-N 2.66Å; A651-A654 PolarHBondContact O-N 3.42Å; C652-A654 PolarHBondContact O-N 2.94Å; A654-L657 PolarHBondContact O-N 3.35Å; A654-E658 WeakPolarHBondContact O-CG 3.24Å; A654-E658 PolarHBondContact O-N 3.44Å |
| 655 | Y | 78.1 | Confident | 83.1 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 7% | 0.071 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.7 | 172 | -91.8 | 0 | 0 | 0 | 112.1 | I408 A594 A598 A651 C652 V653 L657 E658 T659 | I408-Y655 HydrophobicContact CD1-CD2 4.38Å; I408-Y655 HydrophobicContact CD1-CE2 4.05Å; I408-Y655 HydrophobicContact CG2-CD2 3.69Å; I408-Y655 HydrophobicContact CG2-CE2 3.63Å; A594-Y655 HydrophobicContact CB-CD1 4.27Å; A594-Y655 HydrophobicContact CB-CE1 3.42Å; A594-Y655 VanDerWaalsContact CB-CE1 3.42Å; A594-Y655 HydrophobicContact CB-CE2 4.12Å; A594-Y655 VanDerWaalsContact CB-OH 3.23Å; A594-Y655 WeakPolarHBondContact CB-OH 3.36Å; A598-Y655 HydrophobicContact CB-CD2 4.47Å; A598-Y655 HydrophobicContact CB-CG 4.26Å; A651-Y655 WeakPolarHBondContact O-CB 3.49Å; A651-Y655 PolarHBondContact O-N 2.86Å; C652-Y655 WeakPolarHBondContact O-CB 3.18Å; C652-Y655 PolarHBondContact O-N 3.12Å; V653-Y655 VanDerWaalsContact C-N 3.32Å; V653-Y655 PolarHBondContact O-N 2.86Å; Y655-L657 VanDerWaalsContact C-N 3.34Å; Y655-L657 PolarHBondContact O-N 2.83Å; Y655-E658 PolarHBondContact O-N 3.43Å; Y655-T659 WeakPolarHBondContact CE1-OG1 3.39Å; Y655-T659 WeakPolarHBondContact O-CB 3.42Å; Y655-T659 PolarHBondContact O-N 3.18Å; Y655-T659 PolarHBondContact O-OG1 3.27Å |
| 656 | L | 79.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | -179.9 | -62.7 | 172 | 0 | 0 | 0 | 112.3 | L457 V460 V461 E464 L591 C652 V653 T659 S660 | L457-L656 HydrophobicContact CD1-CD2 4.12Å; V460-L656 HydrophobicContact CG1-CD1 4.03Å; V460-L656 HydrophobicContact CG1-CD2 4.23Å; V461-L656 HydrophobicContact CG2-CB 3.66Å; E464-L656 HydrophobicContact CB-CD1 3.89Å; E464-L656 HydrophobicContact CG-CD1 3.89Å; L591-L656 HydrophobicContact CD1-CD2 3.36Å; L591-L656 HydrophobicContact CG-CD2 4.47Å; C652-L656 WeakPolarHBondContact O-CG 3.21Å; C652-L656 PolarHBondContact O-N 3.23Å; V653-L656 PolarHBondContact O-N 3.06Å; L656-T659 WeakPolarHBondContact O-CB 3.47Å; L656-T659 PolarHBondContact O-N 2.91Å; L656-S660 WeakPolarHBondContact O-CB 3.48Å; L656-S660 PolarHBondContact O-N 3.44Å |
| 657 | L | 83 | Confident | 83.7 | Confident | 90 Ų | 90 | 41.3 Ų | 41.3 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.9 | -70.1 | 173.9 | 0 | 0 | 0 | 112.2 | V461 V653 A654 Y655 T659 S660 S661 | V461-L657 HydrophobicContact CG1-CD2 3.79Å; V653-L657 HydrophobicContact CG1-CD1 4.08Å; V653-L657 HydrophobicContact CG1-CG 4.45Å; V653-L657 WeakPolarHBondContact O-CG 3.34Å; V653-L657 PolarHBondContact O-N 3.49Å; A654-L657 PolarHBondContact O-N 3.35Å; Y655-L657 VanDerWaalsContact C-N 3.34Å; Y655-L657 PolarHBondContact O-N 2.83Å; L657-T659 VanDerWaalsContact C-N 3.29Å; L657-T659 PolarHBondContact O-N 3.02Å; L657-S660 WeakPolarHBondContact O-CB 3.39Å; L657-S660 PolarHBondContact O-N 3.01Å; L657-S661 PolarHBondContact O-N 2.96Å |
| 658 | E | 79.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -39.6 | 174.3 | -73.2 | -67.8 | 154.6 | 0 | 0 | 111.6 | S412 A654 Y655 S661 F662 | S412-E658 VanDerWaalsContact CB-OE2 3.32Å; S412-E658 WeakPolarHBondContact CB-OE2 3.4Å; A654-E658 WeakPolarHBondContact O-CG 3.24Å; A654-E658 PolarHBondContact O-N 3.44Å; Y655-E658 PolarHBondContact O-N 3.43Å; E658-S661 WeakPolarHBondContact O-CB 3.49Å; E658-S661 PolarHBondContact O-N 2.81Å; E658-F662 PolarHBondContact O-N 3.04Å |
| 659 | T | 81.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | A449 L457 Y655 L656 L657 S661 F662 I663 | A449-T659 HydrophobicContact CB-CG2 3.25Å; L457-T659 HydrophobicContact CD2-CG2 3.87Å; Y655-T659 WeakPolarHBondContact CE1-OG1 3.39Å; Y655-T659 WeakPolarHBondContact O-CB 3.42Å; Y655-T659 PolarHBondContact O-N 3.18Å; Y655-T659 PolarHBondContact O-OG1 3.27Å; L656-T659 WeakPolarHBondContact O-CB 3.47Å; L656-T659 PolarHBondContact O-N 2.91Å; L657-T659 VanDerWaalsContact C-N 3.29Å; L657-T659 PolarHBondContact O-N 3.02Å; T659-S661 VanDerWaalsContact C-N 3.35Å; T659-S661 PolarHBondContact O-N 3.15Å; T659-F662 PolarHBondContact O-N 3.5Å; T659-I663 HydrophobicContact CG2-CD1 4.23Å; T659-I663 WeakPolarHBondContact O-CG1 3.41Å; T659-I663 PolarHBondContact O-N 3Å |
| 660 | S | 83.2 | Confident | 85.2 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | L656 L657 F662 I663 S664 | L656-S660 WeakPolarHBondContact O-CB 3.48Å; L656-S660 PolarHBondContact O-N 3.44Å; L657-S660 WeakPolarHBondContact O-CB 3.39Å; L657-S660 PolarHBondContact O-N 3.01Å; S660-F662 VanDerWaalsContact C-N 3.35Å; S660-F662 PolarHBondContact O-N 2.93Å; S660-I663 PolarHBondContact O-N 3.07Å; S660-S664 PolarHBondContact O-N 3.33Å; S660-S664 VanDerWaalsContact O-N 3.12Å |
| 661 | S | 85.6 | Confident | 85.7 | Confident | 48 Ų | 48 | 37 Ų | 37 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 173 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | S412 L657 E658 T659 S664 H665 | S412-S661 VanDerWaalsContact OG-CB 3.27Å; S412-S661 WeakPolarHBondContact OG-CB 3.48Å; S412-S661 PolarHBondContact OG-OG 3.42Å; L657-S661 PolarHBondContact O-N 2.96Å; E658-S661 WeakPolarHBondContact O-CB 3.49Å; E658-S661 PolarHBondContact O-N 2.81Å; T659-S661 VanDerWaalsContact C-N 3.35Å; T659-S661 PolarHBondContact O-N 3.15Å; S661-S664 WeakPolarHBondContact O-CB 3.48Å; S661-S664 PolarHBondContact O-N 3.3Å; S661-H665 PolarHBondContact O-CD2 2.98Å; S661-H665 PolarHBondContact O-N 3.29Å |
| 662 | F | 87.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.6 | 179.6 | -105.1 | 0 | 0 | 0 | 112.3 | Q411 A415 M443 C447 E658 T659 S660 S664 H665 I666 | Q411-F662 HydrophobicContact CB-CD2 4.38Å; A415-F662 HydrophobicContact CB-CD2 3.67Å; A415-F662 HydrophobicContact CB-CE2 3.74Å; M443-F662 HydrophobicContact CB-CZ 4.28Å; M443-F662 HydrophobicContact CE-CD2 4.5Å; M443-F662 HydrophobicContact CE-CE2 3.74Å; C447-F662 HydrophobicContact CB-CD1 4.02Å; C447-F662 HydrophobicContact CB-CE1 3.5Å; C447-F662 VanDerWaalsContact CB-CE1 3.5Å; C447-F662 HydrophobicContact CB-CZ 4.22Å; C447-F662 VanDerWaalsContact SG-CD1 3.54Å; E658-F662 PolarHBondContact O-N 3.04Å; T659-F662 PolarHBondContact O-N 3.5Å; S660-F662 VanDerWaalsContact C-N 3.35Å; S660-F662 PolarHBondContact O-N 2.93Å; F662-S664 VanDerWaalsContact C-N 3.3Å; F662-S664 PolarHBondContact O-N 3.04Å; F662-H665 WeakPolarHBondContact O-CA 3.29Å; F662-H665 WeakPolarHBondContact O-CB 3.49Å; F662-H665 PolarHBondContact O-N 3.46Å; F662-I666 HydrophobicContact CD1-CG1 4.15Å; F662-I666 HydrophobicContact CE1-CD1 3.97Å; F662-I666 HydrophobicContact CE1-CG1 3.74Å; F662-I666 HydrophobicContact CE2-CD1 4.12Å; F662-I666 HydrophobicContact CE2-CG1 4.49Å; F662-I666 HydrophobicContact CZ-CD1 3.64Å; F662-I666 HydrophobicContact CZ-CG1 3.94Å; F662-I666 PolarHBondContact O-N 3.39Å |
| 663 | I | 85.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.1 | -70 | 172.1 | 0 | 0 | 0 | 111.5 | A449 L457 T659 S660 H665 I666 Q667 | A449-I663 WeakPolarHBondContact O-CD1 3.37Å; L457-I663 HydrophobicContact CD2-CD1 3.53Å; T659-I663 HydrophobicContact CG2-CD1 4.23Å; T659-I663 WeakPolarHBondContact O-CG1 3.41Å; T659-I663 PolarHBondContact O-N 3Å; S660-I663 PolarHBondContact O-N 3.07Å; I663-H665 VanDerWaalsContact C-N 3.27Å; I663-H665 PolarHBondContact O-N 2.66Å; I663-I666 WeakPolarHBondContact O-CB 3.44Å; I663-I666 PolarHBondContact O-N 3.48Å; I663-I666 VanDerWaalsContact O-N 3.09Å; I663-Q667 PolarHBondContact O-N 3.05Å |
| 664 | S | 88.5 | Confident | 88 | Confident | 62 Ų | 62 | 37.8 Ų | 37.8 | 43% | 0.434 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | S660 S661 F662 Q667 T668 | S660-S664 PolarHBondContact O-N 3.33Å; S660-S664 VanDerWaalsContact O-N 3.12Å; S661-S664 WeakPolarHBondContact O-CB 3.48Å; S661-S664 PolarHBondContact O-N 3.3Å; F662-S664 VanDerWaalsContact C-N 3.3Å; F662-S664 PolarHBondContact O-N 3.04Å; S664-Q667 PolarHBondContact O-N 3.36Å; S664-T668 PolarHBondContact O-N 3.29Å; S664-T668 PolarHBondContact O-OG1 3.15Å; S664-T668 VanDerWaalsContact O-OG1 3.12Å |
| 665 | H | 91.1 | Very high | 88.7 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 18% | 0.181 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 172.2 | -66 | -55 | 0 | 0 | 0 | 112.6 | A415 V419 S661 F662 I663 Q667 T668 A669 | A415-H665 HydrophobicContact CB-CB 3.85Å; V419-H665 HydrophobicContact CG2-CB 3.9Å; S661-H665 PolarHBondContact O-CD2 2.98Å; S661-H665 PolarHBondContact O-N 3.29Å; F662-H665 WeakPolarHBondContact O-CA 3.29Å; F662-H665 WeakPolarHBondContact O-CB 3.49Å; F662-H665 PolarHBondContact O-N 3.46Å; I663-H665 VanDerWaalsContact C-N 3.27Å; I663-H665 PolarHBondContact O-N 2.66Å; H665-Q667 VanDerWaalsContact C-N 3.34Å; H665-Q667 PolarHBondContact O-N 2.78Å; H665-T668 WeakPolarHBondContact O-CB 3.08Å; H665-T668 PolarHBondContact O-N 3.04Å; H665-A669 WeakPolarHBondContact O-CB 3.14Å; H665-A669 PolarHBondContact O-N 2.98Å |
| 666 | I | 90.5 | Very high | 89.5 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 173.7 | -62.9 | -51.6 | 0 | 0 | 0 | 111.7 | L440 I444 F662 I663 T668 A669 I670 I700 | L440-I666 HydrophobicContact CD1-CD1 4.01Å; I444-I666 HydrophobicContact CD1-CD1 4.06Å; I444-I666 HydrophobicContact CG1-CD1 3.75Å; F662-I666 HydrophobicContact CD1-CG1 4.15Å; F662-I666 HydrophobicContact CE1-CD1 3.97Å; F662-I666 HydrophobicContact CE1-CG1 3.74Å; F662-I666 HydrophobicContact CE2-CD1 4.12Å; F662-I666 HydrophobicContact CE2-CG1 4.49Å; F662-I666 HydrophobicContact CZ-CD1 3.64Å; F662-I666 HydrophobicContact CZ-CG1 3.94Å; F662-I666 PolarHBondContact O-N 3.39Å; I663-I666 WeakPolarHBondContact O-CB 3.44Å; I663-I666 PolarHBondContact O-N 3.48Å; I663-I666 VanDerWaalsContact O-N 3.09Å; I666-T668 VanDerWaalsContact C-N 3.27Å; I666-T668 PolarHBondContact O-N 3.41Å; I666-A669 VanDerWaalsContact O-CB 3.31Å; I666-A669 WeakPolarHBondContact O-CB 3.26Å; I666-A669 PolarHBondContact O-N 3.3Å; I666-A669 VanDerWaalsContact O-N 3.16Å; I666-I670 HydrophobicContact CG2-CD1 4.37Å; I666-I670 WeakPolarHBondContact O-CG1 3.46Å; I666-I670 PolarHBondContact O-N 2.96Å; I666-I700 HydrophobicContact CG2-CD1 4.16Å; I666-I700 HydrophobicContact CG2-CG2 4.46Å |
| 667 | Q | 90.7 | Very high | 90.3 | Very high | 94 Ų | 94 | 38 Ų | 38 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 174.4 | -71.6 | 177.2 | -35.1 | 0 | 0 | 112.3 | T454 I663 S664 H665 | T454-Q667 PolarHBondContact OG1-NE2 3.35Å; I663-Q667 PolarHBondContact O-N 3.05Å; S664-Q667 PolarHBondContact O-N 3.36Å; H665-Q667 VanDerWaalsContact C-N 3.34Å; H665-Q667 PolarHBondContact O-N 2.78Å |
| 668 | T | 93 | Very high | 90.7 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 172.8 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | V419 S664 H665 I666 I670 K671 D672 | V419-T668 HydrophobicContact CB-CG2 4.26Å; V419-T668 HydrophobicContact CG2-CG2 4.17Å; S664-T668 PolarHBondContact O-N 3.29Å; S664-T668 PolarHBondContact O-OG1 3.15Å; S664-T668 VanDerWaalsContact O-OG1 3.12Å; H665-T668 WeakPolarHBondContact O-CB 3.08Å; H665-T668 PolarHBondContact O-N 3.04Å; I666-T668 VanDerWaalsContact C-N 3.27Å; I666-T668 PolarHBondContact O-N 3.41Å; T668-I670 VanDerWaalsContact C-N 3.3Å; T668-I670 PolarHBondContact O-N 2.77Å; T668-K671 WeakPolarHBondContact O-CB 3.12Å; T668-K671 PolarHBondContact O-N 2.91Å; T668-D672 PolarHBondContact O-N 3.31Å |
| 669 | A | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | V419 L440 H665 I666 K671 D672 F673 | V419-A669 HydrophobicContact CG1-CB 3.72Å; L440-A669 HydrophobicContact CD2-CB 3.47Å; L440-A669 VanDerWaalsContact CD2-CB 3.47Å; H665-A669 WeakPolarHBondContact O-CB 3.14Å; H665-A669 PolarHBondContact O-N 2.98Å; I666-A669 VanDerWaalsContact O-CB 3.31Å; I666-A669 WeakPolarHBondContact O-CB 3.26Å; I666-A669 PolarHBondContact O-N 3.3Å; I666-A669 VanDerWaalsContact O-N 3.16Å; A669-K671 VanDerWaalsContact C-N 3.27Å; A669-K671 PolarHBondContact O-N 3.15Å; A669-D672 PolarHBondContact O-N 2.91Å; A669-F673 HydrophobicContact CB-CD2 4.45Å; A669-F673 WeakPolarHBondContact O-CB 3.28Å; A669-F673 VanDerWaalsContact O-CD2 3.22Å; A669-F673 WeakPolarHBondContact O-CD2 3.28Å; A669-F673 PolarHBondContact O-N 3.25Å |
| 670 | I | 94.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 177.8 | -69.8 | 166.7 | 0 | 0 | 0 | 110.1 | I666 T668 Q674 F691 F692 I700 G702 L703 | I666-I670 HydrophobicContact CG2-CD1 4.37Å; I666-I670 WeakPolarHBondContact O-CG1 3.46Å; I666-I670 PolarHBondContact O-N 2.96Å; T668-I670 VanDerWaalsContact C-N 3.3Å; T668-I670 PolarHBondContact O-N 2.77Å; I670-Q674 VanDerWaalsContact O-CG 3.24Å; I670-Q674 WeakPolarHBondContact O-CG 3.44Å; I670-Q674 PolarHBondContact O-N 3.4Å; I670-F691 HydrophobicContact CG1-CE1 4.19Å; I670-F691 HydrophobicContact CG1-CZ 4.04Å; I670-F692 HydrophobicContact CG2-CE1 4.43Å; I670-I700 HydrophobicContact CD1-CG2 3.96Å; I670-G702 WeakPolarHBondContact CG2-O 3.39Å; I670-L703 HydrophobicContact CD1-CD2 3.89Å; I670-L703 HydrophobicContact CG1-CD2 3.92Å; I670-L703 HydrophobicContact CG2-CD2 4.42Å |
| 671 | K | 94.6 | Very high | 92.2 | Very high | 149 Ų | 149 | 45.7 Ų | 45.7 | 65% | 0.648 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 176.4 | -63.2 | -177.1 | 178 | -174.1 | 0 | 111.7 | T668 A669 F673 Q674 S675 | T668-K671 WeakPolarHBondContact O-CB 3.12Å; T668-K671 PolarHBondContact O-N 2.91Å; A669-K671 VanDerWaalsContact C-N 3.27Å; A669-K671 PolarHBondContact O-N 3.15Å; K671-F673 PolarHBondContact O-N 2.93Å; K671-Q674 WeakPolarHBondContact O-CB 3.47Å; K671-Q674 PolarHBondContact O-N 3.35Å; K671-S675 PolarHBondContact O-N 3.36Å |
| 672 | D | 95.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 176 | -64.2 | -21.6 | 0 | 0 | 0 | 110.5 | V419 G420 M425 M426 T668 A669 Q674 S675 M676 | V419-D672 WeakPolarHBondContact CA-OD2 3.31Å; V419-D672 WeakPolarHBondContact CB-OD2 3.49Å; G420-D672 PolarHBondContact N-OD2 3.34Å; M425-D672 HydrophobicContact CE-CB 3.75Å; M426-D672 HydrophobicContact CE-CB 3.63Å; T668-D672 PolarHBondContact O-N 3.31Å; A669-D672 PolarHBondContact O-N 2.91Å; D672-Q674 PolarHBondContact O-N 2.89Å; D672-S675 PolarHBondContact O-N 3.01Å; D672-S675 PolarHBondContact O-OG 3.17Å; D672-M676 WeakPolarHBondContact O-CG 3.25Å; D672-M676 PolarHBondContact O-N 3.41Å |
| 673 | F | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 177.1 | -80.4 | -65.5 | 0 | 0 | 0 | 113.7 | M425 C437 L440 A669 K671 S675 M676 L677 A688 F691 F692 | M425-F673 HydrophobicContact CE-CD1 3.9Å; M425-F673 HydrophobicContact CE-CD2 3.57Å; M425-F673 HydrophobicContact CE-CE1 3.79Å; M425-F673 HydrophobicContact CE-CE2 3.4Å; M425-F673 HydrophobicContact CE-CG 3.84Å; M425-F673 HydrophobicContact CE-CZ 3.55Å; M425-F673 HydrophobicContact SD-CE2 4.14Å; M425-F673 HydrophobicContact SD-CZ 4.34Å; C437-F673 HydrophobicContact CB-CE1 3.71Å; C437-F673 HydrophobicContact CB-CZ 3.79Å; C437-F673 VanDerWaalsContact SG-CE1 3.59Å; L440-F673 HydrophobicContact CD2-CE2 4.08Å; A669-F673 HydrophobicContact CB-CD2 4.45Å; A669-F673 WeakPolarHBondContact O-CB 3.28Å; A669-F673 VanDerWaalsContact O-CD2 3.22Å; A669-F673 WeakPolarHBondContact O-CD2 3.28Å; A669-F673 PolarHBondContact O-N 3.25Å; K671-F673 PolarHBondContact O-N 2.93Å; F673-S675 VanDerWaalsContact C-N 3.34Å; F673-M676 HydrophobicContact CD1-SD 4.14Å; F673-M676 HydrophobicContact CE1-SD 4.41Å; F673-M676 PolarHBondContact O-N 3.28Å; F673-L677 PolarHBondContact O-N 3.19Å; F673-A688 HydrophobicContact CB-CB 4.46Å; F673-A688 HydrophobicContact CD1-CB 3.77Å; F673-F691 HydrophobicContact CB-CD1 3.75Å; F673-F691 HydrophobicContact CB-CE1 4.02Å; F673-F691 HydrophobicContact CB-CG 4.39Å; F673-F691 HydrophobicContact CD1-CB 3.93Å; F673-F691 HydrophobicContact CD1-CD1 4.29Å; F673-F691 HydrophobicContact CD1-CG 4.11Å; F673-F691 HydrophobicContact CD2-CB 4.02Å; F673-F691 AromaticContact CD2-CD1 3.34Å; F673-F691 HydrophobicContact CD2-CD1 3.34Å; F673-F691 AromaticContact CD2-CD2 3.42Å; F673-F691 HydrophobicContact CD2-CD2 3.42Å; F673-F691 VanDerWaalsContact CD2-CD2 3.42Å; F673-F691 AromaticContact CD2-CE1 3.5Å; F673-F691 HydrophobicContact CD2-CE1 3.5Å; F673-F691 VanDerWaalsContact CD2-CE1 3.5Å; F673-F691 AromaticContact CD2-CE2 3.5Å; F673-F691 HydrophobicContact CD2-CE2 3.5Å; F673-F691 AromaticContact CD2-CG 3.3Å; F673-F691 HydrophobicContact CD2-CG 3.3Å; F673-F691 AromaticContact CD2-CZ 3.57Å; F673-F691 HydrophobicContact CD2-CZ 3.57Å; F673-F691 HydrophobicContact CE1-CB 3.73Å; F673-F691 HydrophobicContact CE1-CD2 4.49Å; F673-F691 HydrophobicContact CE1-CG 4.11Å; F673-F691 HydrophobicContact CE2-CB 3.86Å; F673-F691 AromaticContact CE2-CD1 3.91Å; F673-F691 HydrophobicContact CE2-CD1 3.91Å; F673-F691 AromaticContact CE2-CD2 3.07Å; F673-F691 HydrophobicContact CE2-CD2 3.07Å; F673-F691 HydrophobicContact CE2-CE1 4.22Å; F673-F691 AromaticContact CE2-CE2 3.38Å; F673-F691 HydrophobicContact CE2-CE2 3.38Å; F673-F691 AromaticContact CE2-CG 3.34Å; F673-F691 HydrophobicContact CE2-CG 3.34Å; F673-F691 AromaticContact CE2-CZ 3.98Å; F673-F691 HydrophobicContact CE2-CZ 3.98Å; F673-F691 HydrophobicContact CG-CB 4.04Å; F673-F691 AromaticContact CG-CD1 3.54Å; F673-F691 HydrophobicContact CG-CD1 3.54Å; F673-F691 HydrophobicContact CG-CD2 4.27Å; F673-F691 HydrophobicContact CG-CE1 4.01Å; F673-F691 AromaticContact CG-CG 3.69Å; F673-F691 HydrophobicContact CG-CG 3.69Å; F673-F691 HydrophobicContact CZ-CB 3.69Å; F673-F691 AromaticContact CZ-CD2 3.67Å; F673-F691 HydrophobicContact CZ-CD2 3.67Å; F673-F691 HydrophobicContact CZ-CE2 4.39Å; F673-F691 AromaticContact CZ-CG 3.74Å; F673-F691 HydrophobicContact CZ-CG 3.74Å; F673-F692 HydrophobicContact CB-CE2 3.88Å; F673-F692 HydrophobicContact CB-CZ 4.02Å |
| 674 | Q | 95.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 20% | 0.201 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 170.5 | -77.4 | 167.8 | -4 | 0 | 0 | 110.9 | I670 K671 D672 M676 L677 F692 | I670-Q674 VanDerWaalsContact O-CG 3.24Å; I670-Q674 WeakPolarHBondContact O-CG 3.44Å; I670-Q674 PolarHBondContact O-N 3.4Å; K671-Q674 WeakPolarHBondContact O-CB 3.47Å; K671-Q674 PolarHBondContact O-N 3.35Å; D672-Q674 PolarHBondContact O-N 2.89Å; Q674-M676 VanDerWaalsContact C-N 3.27Å; Q674-M676 PolarHBondContact O-N 3.43Å; Q674-L677 WeakPolarHBondContact O-CB 3.37Å; Q674-L677 PolarHBondContact O-N 3.44Å; Q674-F692 HydrophobicContact CG-CZ 3.83Å |
| 675 | S | 93.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 45 Ų | 45 | 42% | 0.42 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.3 | -29.8 | 175.7 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | K671 D672 F673 L677 S678 | K671-S675 PolarHBondContact O-N 3.36Å; D672-S675 PolarHBondContact O-N 3.01Å; D672-S675 PolarHBondContact O-OG 3.17Å; F673-S675 VanDerWaalsContact C-N 3.34Å; S675-L677 VanDerWaalsContact C-N 3.34Å; S675-L677 PolarHBondContact O-N 2.97Å; S675-S678 PolarHBondContact O-N 2.86Å; S675-S678 PolarHBondContact O-OG 3.38Å |
| 676 | M | 94.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.4 | -22.5 | 177.3 | -69 | -177 | 76.5 | 0 | 0 | 113.6 | M425 M426 C437 D672 F673 Q674 S678 S679 D684 A688 | M425-M676 HydrophobicContact CE-SD 3.94Å; M426-M676 HydrophobicContact CE-CG 4.27Å; M426-M676 HydrophobicContact CE-SD 4.42Å; C437-M676 VanDerWaalsContact SG-CE 3.51Å; C437-M676 VanDerWaalsContact SG-SD 3.67Å; D672-M676 WeakPolarHBondContact O-CG 3.25Å; D672-M676 PolarHBondContact O-N 3.41Å; F673-M676 HydrophobicContact CD1-SD 4.14Å; F673-M676 HydrophobicContact CE1-SD 4.41Å; F673-M676 PolarHBondContact O-N 3.28Å; Q674-M676 VanDerWaalsContact C-N 3.27Å; Q674-M676 PolarHBondContact O-N 3.43Å; M676-S678 PolarHBondContact O-N 3.06Å; M676-S679 WeakPolarHBondContact O-CB 3.36Å; M676-S679 PolarHBondContact O-N 3.17Å; M676-S679 VanDerWaalsContact O-N 3.1Å; M676-D684 HydrophobicContact CE-CB 3.47Å; M676-D684 VanDerWaalsContact CE-CB 3.47Å; M676-A688 HydrophobicContact CB-CB 4.03Å |
| 677 | L | 96.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25 | 174.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.5 | F673 Q674 S675 A688 I689 F692 G706 L709 L710 L713 | F673-L677 PolarHBondContact O-N 3.19Å; Q674-L677 WeakPolarHBondContact O-CB 3.37Å; Q674-L677 PolarHBondContact O-N 3.44Å; S675-L677 VanDerWaalsContact C-N 3.34Å; S675-L677 PolarHBondContact O-N 2.97Å; L677-A688 HydrophobicContact CD2-CB 3.79Å; L677-A688 HydrophobicContact CG-CB 4.04Å; L677-I689 HydrophobicContact CD2-CG1 3.9Å; L677-F692 HydrophobicContact CD1-CD2 3.91Å; L677-F692 HydrophobicContact CD1-CE2 3.54Å; L677-F692 HydrophobicContact CD1-CZ 4.44Å; L677-F692 HydrophobicContact CD2-CD2 4.45Å; L677-F692 HydrophobicContact CG-CD2 4.39Å; L677-F692 HydrophobicContact CG-CE2 4.05Å; L677-G706 VanDerWaalsContact CD1-O 3.3Å; L677-G706 WeakPolarHBondContact CD1-O 3Å; L677-L709 HydrophobicContact CD1-CB 3.86Å; L677-L710 HydrophobicContact CD1-CB 4.32Å; L677-L710 HydrophobicContact CD2-CB 4.47Å; L677-L713 HydrophobicContact CB-CD1 4.41Å; L677-L713 HydrophobicContact CD2-CD1 3.85Å |
| 678 | S | 91.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 41.4 Ų | 41.4 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.4 | 174 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | S675 M676 | S675-S678 PolarHBondContact O-N 2.86Å; S675-S678 PolarHBondContact O-OG 3.38Å; M676-S678 PolarHBondContact O-N 3.06Å |
| 679 | S | 92.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | trans | -67.4 | 140.6 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | M676 T681 D684 V685 | M676-S679 WeakPolarHBondContact O-CB 3.36Å; M676-S679 PolarHBondContact O-N 3.17Å; M676-S679 VanDerWaalsContact O-N 3.1Å; S679-T681 PolarHBondContact O-N 3.36Å; S679-T681 PolarHBondContact OG-N 3.2Å; S679-T681 VanDerWaalsContact OG-N 3.11Å; S679-D684 PolarHBondContact OG-OD2 3.3Å; S679-D684 VanDerWaalsContact OG-OD2 3.04Å; S679-V685 WeakPolarHBondContact O-CG2 2.88Å | ||
| 680 | K | 90 | Very high | 95.3 | Very high | 170 Ų | 170 | 43.4 Ų | 43.4 | 74% | 0.739 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -66.3 | -19.3 | 169.6 | -63.9 | -174.1 | 177.6 | -174.4 | 0 | 112.5 | ||
| 681 | T | 93.2 | Very high | 95.4 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -87.2 | 113.4 | -178.4 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | A430 R433 S679 S683 D684 V685 | A430-T681 HydrophobicContact CB-CG2 4.3Å; R433-T681 PolarHBondContact NH2-OG1 3.22Å; S679-T681 PolarHBondContact O-N 3.36Å; S679-T681 PolarHBondContact OG-N 3.2Å; S679-T681 VanDerWaalsContact OG-N 3.11Å; T681-S683 VanDerWaalsContact C-N 3.26Å; T681-S683 WeakPolarHBondContact CG2-OG 3.37Å; T681-S683 PolarHBondContact O-N 2.81Å; T681-S683 VanDerWaalsContact O-N 3.12Å; T681-D684 WeakPolarHBondContact CB-OD2 3.48Å; T681-D684 WeakPolarHBondContact O-CB 3.36Å; T681-D684 PolarHBondContact O-N 3.4Å; T681-V685 PolarHBondContact O-N 3.24Å |
| 682 | I | 95.1 | Very high | 95.5 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 34% | 0.344 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.1 | -40.1 | -176.5 | -61.3 | 173.4 | 0 | 0 | 0 | 113.2 | D684 V685 I686 E718 I721 | I682-D684 VanDerWaalsContact C-N 3.3Å; I682-D684 PolarHBondContact O-N 3.31Å; I682-V685 PolarHBondContact O-N 3.25Å; I682-I686 HydrophobicContact CG2-CD1 3.77Å; I682-I686 HydrophobicContact CG2-CG1 4.37Å; I682-I686 WeakPolarHBondContact O-CG1 3.44Å; I682-I686 PolarHBondContact O-N 3.35Å; I682-I686 VanDerWaalsContact O-N 3.11Å; I682-E718 HydrophobicContact CD1-CG 4.28Å; I682-E718 HydrophobicContact CG1-CG 4.46Å; I682-I721 HydrophobicContact CG2-CG1 4.36Å |
| 683 | S | 94.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 179.3 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | T681 V685 I686 E687 | T681-S683 VanDerWaalsContact C-N 3.26Å; T681-S683 WeakPolarHBondContact CG2-OG 3.37Å; T681-S683 PolarHBondContact O-N 2.81Å; T681-S683 VanDerWaalsContact O-N 3.12Å; S683-V685 VanDerWaalsContact C-N 3.34Å; S683-I686 PolarHBondContact O-N 3.2Å; S683-E687 WeakPolarHBondContact O-CG 3.37Å; S683-E687 PolarHBondContact O-N 3.44Å |
| 684 | D | 96.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | -179.4 | -64.2 | -8.6 | 0 | 0 | 0 | 110 | R433 M676 S679 T681 I682 E687 A688 | R433-D684 IonicContact CZ-OD1 3.51Å; R433-D684 IonicContact CZ-OD2 2.73Å; R433-D684 VanDerWaalsContact CZ-OD2 3.3Å; R433-D684 IonicContact NE-OD1 3.6Å; R433-D684 PolarHBondContact NE-OD1 3.29Å; R433-D684 IonicContact NE-OD2 3.69Å; R433-D684 PolarHBondContact NE-OD2 3.02Å; R433-D684 IonicContact NH2-OD1 2.63Å; R433-D684 IonicContact NH2-OD2 3.84Å; R433-D684 PolarHBondContact NH2-OD2 2.89Å; M676-D684 HydrophobicContact CE-CB 3.47Å; M676-D684 VanDerWaalsContact CE-CB 3.47Å; S679-D684 PolarHBondContact OG-OD2 3.3Å; S679-D684 VanDerWaalsContact OG-OD2 3.04Å; T681-D684 WeakPolarHBondContact CB-OD2 3.48Å; T681-D684 WeakPolarHBondContact O-CB 3.36Å; T681-D684 PolarHBondContact O-N 3.4Å; I682-D684 VanDerWaalsContact C-N 3.3Å; I682-D684 PolarHBondContact O-N 3.31Å; D684-E687 PolarHBondContact O-N 3.29Å; D684-A688 WeakPolarHBondContact O-CB 3.47Å; D684-A688 PolarHBondContact O-N 3.13Å |
| 685 | V | 97.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | S679 T681 I682 S683 A688 I689 L713 I721 | S679-V685 WeakPolarHBondContact O-CG2 2.88Å; T681-V685 PolarHBondContact O-N 3.24Å; I682-V685 PolarHBondContact O-N 3.25Å; S683-V685 VanDerWaalsContact C-N 3.34Å; V685-A688 PolarHBondContact O-N 3.17Å; V685-I689 HydrophobicContact CG1-CD1 4.02Å; V685-I689 HydrophobicContact CG1-CG1 4.5Å; V685-I689 VanDerWaalsContact O-CG1 3.28Å; V685-I689 WeakPolarHBondContact O-CG1 3.38Å; V685-I689 PolarHBondContact O-N 3.4Å; V685-L713 HydrophobicContact CG1-CD1 3.59Å; V685-I721 HydrophobicContact CB-CD1 4.3Å; V685-I721 HydrophobicContact CG1-CD1 4.11Å; V685-I721 HydrophobicContact CG1-CG1 4.3Å; V685-I721 HydrophobicContact CG1-CG2 4.12Å; V685-I721 HydrophobicContact CG2-CD1 4.38Å |
| 686 | I | 97.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 179.9 | -68.2 | 171.3 | 0 | 0 | 0 | 111.3 | I682 S683 A688 I689 E690 | I682-I686 HydrophobicContact CG2-CD1 3.77Å; I682-I686 HydrophobicContact CG2-CG1 4.37Å; I682-I686 WeakPolarHBondContact O-CG1 3.44Å; I682-I686 PolarHBondContact O-N 3.35Å; I682-I686 VanDerWaalsContact O-N 3.11Å; S683-I686 PolarHBondContact O-N 3.2Å; I686-A688 VanDerWaalsContact C-N 3.3Å; I686-A688 PolarHBondContact O-N 3.12Å; I686-I689 PolarHBondContact O-N 2.96Å; I686-E690 PolarHBondContact O-N 3.35Å |
| 687 | E | 96.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.4 | -31.9 | 179.6 | -59.3 | -68.2 | 162 | 0 | 0 | 111.4 | K434 C437 K438 S683 D684 F691 | K434-E687 VanDerWaalsContact CE-OE1 3.24Å; K434-E687 WeakPolarHBondContact CE-OE1 3.24Å; K434-E687 HydrophobicContact CG-CG 4.09Å; C437-E687 HydrophobicContact CB-CB 3.84Å; C437-E687 HydrophobicContact CB-CG 4.48Å; K438-E687 VanDerWaalsContact CE-CD 3.41Å; K438-E687 WeakPolarHBondContact CE-OE1 3.24Å; K438-E687 VanDerWaalsContact CE-OE2 3.24Å; K438-E687 WeakPolarHBondContact CE-OE2 3.32Å; K438-E687 WeakPolarHBondContact CG-OE2 3.24Å; K438-E687 IonicContact NZ-OE1 2.64Å; K438-E687 PolarHBondContact NZ-OE1 3.43Å; K438-E687 IonicContact NZ-OE2 2.7Å; S683-E687 WeakPolarHBondContact O-CG 3.37Å; S683-E687 PolarHBondContact O-N 3.44Å; D684-E687 PolarHBondContact O-N 3.29Å; E687-F691 WeakPolarHBondContact O-CB 3.5Å; E687-F691 PolarHBondContact O-N 2.95Å |
| 688 | A | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F673 M676 L677 D684 V685 I686 E690 F691 F692 | F673-A688 HydrophobicContact CB-CB 4.46Å; F673-A688 HydrophobicContact CD1-CB 3.77Å; M676-A688 HydrophobicContact CB-CB 4.03Å; L677-A688 HydrophobicContact CD2-CB 3.79Å; L677-A688 HydrophobicContact CG-CB 4.04Å; D684-A688 WeakPolarHBondContact O-CB 3.47Å; D684-A688 PolarHBondContact O-N 3.13Å; V685-A688 PolarHBondContact O-N 3.17Å; I686-A688 VanDerWaalsContact C-N 3.3Å; I686-A688 PolarHBondContact O-N 3.12Å; A688-E690 VanDerWaalsContact C-N 3.34Å; A688-E690 PolarHBondContact O-N 3.46Å; A688-F691 WeakPolarHBondContact O-CB 3.44Å; A688-F691 PolarHBondContact O-N 2.94Å; A688-F692 WeakPolarHBondContact O-CD2 3.1Å; A688-F692 PolarHBondContact O-N 3.1Å |
| 689 | I | 98.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 173.4 | -70.6 | 169.7 | 0 | 0 | 0 | 110.3 | L677 V685 I686 F691 F692 V693 L710 L713 A724 V725 A728 | L677-I689 HydrophobicContact CD2-CG1 3.9Å; V685-I689 HydrophobicContact CG1-CD1 4.02Å; V685-I689 HydrophobicContact CG1-CG1 4.5Å; V685-I689 VanDerWaalsContact O-CG1 3.28Å; V685-I689 WeakPolarHBondContact O-CG1 3.38Å; V685-I689 PolarHBondContact O-N 3.4Å; I686-I689 PolarHBondContact O-N 2.96Å; I689-F691 VanDerWaalsContact C-N 3.32Å; I689-F691 PolarHBondContact O-N 3.33Å; I689-F692 PolarHBondContact O-N 3.45Å; I689-V693 WeakPolarHBondContact O-CG2 3.42Å; I689-V693 PolarHBondContact O-N 3.41Å; I689-V693 VanDerWaalsContact O-N 3.07Å; I689-L710 HydrophobicContact CB-CD1 4.28Å; I689-L710 HydrophobicContact CG1-CD1 4.11Å; I689-L710 HydrophobicContact CG1-CG 4.16Å; I689-L710 HydrophobicContact CG2-CD1 4.04Å; I689-L713 HydrophobicContact CD1-CD1 4.25Å; I689-A724 HydrophobicContact CD1-CB 3.84Å; I689-A724 HydrophobicContact CG2-CB 4.29Å; I689-V725 HydrophobicContact CD1-CG2 3.98Å; I689-A728 HydrophobicContact CG2-CB 3.7Å |
| 690 | E | 96.2 | Very high | 92.9 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.7 | -176.2 | 166.3 | -163.1 | 0 | 0 | 111.6 | I686 A688 V693 I694 | I686-E690 PolarHBondContact O-N 3.35Å; A688-E690 VanDerWaalsContact C-N 3.34Å; A688-E690 PolarHBondContact O-N 3.46Å; E690-V693 PolarHBondContact O-N 2.88Å; E690-I694 HydrophobicContact CG-CD1 3.79Å; E690-I694 WeakPolarHBondContact O-CB 3.2Å; E690-I694 WeakPolarHBondContact O-CG1 3.4Å; E690-I694 PolarHBondContact O-N 3.18Å |
| 691 | F | 96.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.1 | -51.5 | 172.3 | 170.4 | -94.3 | 0 | 0 | 0 | 112.3 | I444 I670 F673 E687 A688 I689 V693 I694 A695 | I444-F691 HydrophobicContact CD1-CD2 3.96Å; I444-F691 HydrophobicContact CD1-CE2 3.26Å; I444-F691 HydrophobicContact CD1-CZ 4.04Å; I670-F691 HydrophobicContact CG1-CE1 4.19Å; I670-F691 HydrophobicContact CG1-CZ 4.04Å; F673-F691 HydrophobicContact CB-CD1 3.75Å; F673-F691 HydrophobicContact CB-CE1 4.02Å; F673-F691 HydrophobicContact CB-CG 4.39Å; F673-F691 HydrophobicContact CD1-CB 3.93Å; F673-F691 HydrophobicContact CD1-CD1 4.29Å; F673-F691 HydrophobicContact CD1-CG 4.11Å; F673-F691 HydrophobicContact CD2-CB 4.02Å; F673-F691 AromaticContact CD2-CD1 3.34Å; F673-F691 HydrophobicContact CD2-CD1 3.34Å; F673-F691 AromaticContact CD2-CD2 3.42Å; F673-F691 HydrophobicContact CD2-CD2 3.42Å; F673-F691 VanDerWaalsContact CD2-CD2 3.42Å; F673-F691 AromaticContact CD2-CE1 3.5Å; F673-F691 HydrophobicContact CD2-CE1 3.5Å; F673-F691 VanDerWaalsContact CD2-CE1 3.5Å; F673-F691 AromaticContact CD2-CE2 3.5Å; F673-F691 HydrophobicContact CD2-CE2 3.5Å; F673-F691 AromaticContact CD2-CG 3.3Å; F673-F691 HydrophobicContact CD2-CG 3.3Å; F673-F691 AromaticContact CD2-CZ 3.57Å; F673-F691 HydrophobicContact CD2-CZ 3.57Å; F673-F691 HydrophobicContact CE1-CB 3.73Å; F673-F691 HydrophobicContact CE1-CD2 4.49Å; F673-F691 HydrophobicContact CE1-CG 4.11Å; F673-F691 HydrophobicContact CE2-CB 3.86Å; F673-F691 AromaticContact CE2-CD1 3.91Å; F673-F691 HydrophobicContact CE2-CD1 3.91Å; F673-F691 AromaticContact CE2-CD2 3.07Å; F673-F691 HydrophobicContact CE2-CD2 3.07Å; F673-F691 HydrophobicContact CE2-CE1 4.22Å; F673-F691 AromaticContact CE2-CE2 3.38Å; F673-F691 HydrophobicContact CE2-CE2 3.38Å; F673-F691 AromaticContact CE2-CG 3.34Å; F673-F691 HydrophobicContact CE2-CG 3.34Å; F673-F691 AromaticContact CE2-CZ 3.98Å; F673-F691 HydrophobicContact CE2-CZ 3.98Å; F673-F691 HydrophobicContact CG-CB 4.04Å; F673-F691 AromaticContact CG-CD1 3.54Å; F673-F691 HydrophobicContact CG-CD1 3.54Å; F673-F691 HydrophobicContact CG-CD2 4.27Å; F673-F691 HydrophobicContact CG-CE1 4.01Å; F673-F691 AromaticContact CG-CG 3.69Å; F673-F691 HydrophobicContact CG-CG 3.69Å; F673-F691 HydrophobicContact CZ-CB 3.69Å; F673-F691 AromaticContact CZ-CD2 3.67Å; F673-F691 HydrophobicContact CZ-CD2 3.67Å; F673-F691 HydrophobicContact CZ-CE2 4.39Å; F673-F691 AromaticContact CZ-CG 3.74Å; F673-F691 HydrophobicContact CZ-CG 3.74Å; E687-F691 WeakPolarHBondContact O-CB 3.5Å; E687-F691 PolarHBondContact O-N 2.95Å; A688-F691 WeakPolarHBondContact O-CB 3.44Å; A688-F691 PolarHBondContact O-N 2.94Å; I689-F691 VanDerWaalsContact C-N 3.32Å; I689-F691 PolarHBondContact O-N 3.33Å; F691-V693 VanDerWaalsContact C-N 3.31Å; F691-V693 PolarHBondContact O-N 3.2Å; F691-I694 PolarHBondContact O-N 3.48Å; F691-A695 HydrophobicContact CE1-CB 4.29Å; F691-A695 HydrophobicContact CZ-CB 4.32Å; F691-A695 WeakPolarHBondContact O-CB 3.49Å; F691-A695 PolarHBondContact O-N 2.97Å |
| 692 | F | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | -177.2 | -80.8 | -66.5 | 0 | 0 | 0 | 112.7 | I670 F673 Q674 L677 A688 I689 K696 L703 L710 | I670-F692 HydrophobicContact CG2-CE1 4.43Å; F673-F692 HydrophobicContact CB-CE2 3.88Å; F673-F692 HydrophobicContact CB-CZ 4.02Å; Q674-F692 HydrophobicContact CG-CZ 3.83Å; L677-F692 HydrophobicContact CD1-CD2 3.91Å; L677-F692 HydrophobicContact CD1-CE2 3.54Å; L677-F692 HydrophobicContact CD1-CZ 4.44Å; L677-F692 HydrophobicContact CD2-CD2 4.45Å; L677-F692 HydrophobicContact CG-CD2 4.39Å; L677-F692 HydrophobicContact CG-CE2 4.05Å; A688-F692 WeakPolarHBondContact O-CD2 3.1Å; A688-F692 PolarHBondContact O-N 3.1Å; I689-F692 PolarHBondContact O-N 3.45Å; F692-K696 VanDerWaalsContact O-CB 3.31Å; F692-K696 WeakPolarHBondContact O-CB 3.01Å; F692-K696 PolarHBondContact O-N 3.49Å; F692-L703 HydrophobicContact CD1-CB 4.34Å; F692-L703 HydrophobicContact CD1-CD2 4Å; F692-L703 HydrophobicContact CE1-CD2 4.03Å; F692-L710 HydrophobicContact CB-CD1 4.09Å |
| 693 | V | 93.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | I689 E690 F691 K696 Q697 A728 K731 L732 | I689-V693 WeakPolarHBondContact O-CG2 3.42Å; I689-V693 PolarHBondContact O-N 3.41Å; I689-V693 VanDerWaalsContact O-N 3.07Å; E690-V693 PolarHBondContact O-N 2.88Å; F691-V693 VanDerWaalsContact C-N 3.31Å; F691-V693 PolarHBondContact O-N 3.2Å; V693-K696 PolarHBondContact O-N 3.35Å; V693-Q697 WeakPolarHBondContact O-CG 3.28Å; V693-Q697 PolarHBondContact O-N 3Å; V693-A728 HydrophobicContact CG2-CB 3.39Å; V693-K731 HydrophobicContact CG1-CB 3.99Å; V693-K731 HydrophobicContact CG1-CD 3.84Å; V693-L732 HydrophobicContact CG2-CD1 4.45Å; V693-L732 HydrophobicContact CG2-CG 4.38Å |
| 694 | I | 90.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | -177.6 | -71.1 | 172.2 | 0 | 0 | 0 | 111.2 | T441 L445 E690 F691 K696 Q697 A698 | T441-I694 HydrophobicContact CG2-CB 3.99Å; T441-I694 HydrophobicContact CG2-CD1 3.45Å; T441-I694 VanDerWaalsContact CG2-CD1 3.45Å; T441-I694 HydrophobicContact CG2-CG1 4.28Å; T441-I694 HydrophobicContact CG2-CG2 3.99Å; L445-I694 HydrophobicContact CD1-CG2 4.16Å; L445-I694 HydrophobicContact CD2-CG2 3.78Å; L445-I694 HydrophobicContact CG-CG2 3.87Å; E690-I694 HydrophobicContact CG-CD1 3.79Å; E690-I694 WeakPolarHBondContact O-CB 3.2Å; E690-I694 WeakPolarHBondContact O-CG1 3.4Å; E690-I694 PolarHBondContact O-N 3.18Å; F691-I694 PolarHBondContact O-N 3.48Å; I694-K696 VanDerWaalsContact C-N 3.33Å; I694-K696 PolarHBondContact O-N 3.29Å; I694-Q697 PolarHBondContact O-N 2.98Å; I694-A698 VanDerWaalsContact O-CB 3.25Å; I694-A698 WeakPolarHBondContact O-CB 3.18Å; I694-A698 PolarHBondContact O-N 3.11Å |
| 695 | A | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F691 A698 G699 I700 L703 | F691-A695 HydrophobicContact CE1-CB 4.29Å; F691-A695 HydrophobicContact CZ-CB 4.32Å; F691-A695 WeakPolarHBondContact O-CB 3.49Å; F691-A695 PolarHBondContact O-N 2.97Å; A695-A698 PolarHBondContact O-N 3.33Å; A695-G699 PolarHBondContact O-N 3.41Å; A695-I700 HydrophobicContact CB-CB 4.32Å; A695-I700 HydrophobicContact CB-CD1 3.99Å; A695-I700 WeakPolarHBondContact O-CB 3.44Å; A695-I700 PolarHBondContact O-N 3.44Å; A695-L703 HydrophobicContact CB-CD1 3.71Å; A695-L703 HydrophobicContact CB-CD2 4.01Å |
| 696 | K | 89.1 | Confident | 91.3 | Very high | 99 Ų | 99 | 38.7 Ų | 38.7 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 176.9 | -172.5 | 62.9 | 170.5 | -173.4 | 0 | 111.6 | F692 V693 I694 A698 G699 L703 I707 L732 | F692-K696 VanDerWaalsContact O-CB 3.31Å; F692-K696 WeakPolarHBondContact O-CB 3.01Å; F692-K696 PolarHBondContact O-N 3.49Å; V693-K696 PolarHBondContact O-N 3.35Å; I694-K696 VanDerWaalsContact C-N 3.33Å; I694-K696 PolarHBondContact O-N 3.29Å; K696-A698 VanDerWaalsContact C-N 3.27Å; K696-A698 PolarHBondContact O-N 3.22Å; K696-G699 PolarHBondContact O-N 3.34Å; K696-L703 HydrophobicContact CB-CD1 3.92Å; K696-L703 HydrophobicContact CD-CD1 4.25Å; K696-I707 HydrophobicContact CB-CD1 4.46Å; K696-I707 HydrophobicContact CD-CD1 4.04Å; K696-I707 HydrophobicContact CG-CD1 4.25Å; K696-L732 HydrophobicContact CB-CD2 3.66Å; K696-L732 HydrophobicContact CG-CD2 3.64Å |
| 697 | Q | 85.3 | Confident | 91 | Very high | 100 Ų | 100 | 36.5 Ų | 36.5 | 47% | 0.467 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 174.5 | -71.7 | 177.3 | -20.5 | 0 | 0 | 112.4 | V693 I694 G699 | V693-Q697 WeakPolarHBondContact O-CG 3.28Å; V693-Q697 PolarHBondContact O-N 3Å; I694-Q697 PolarHBondContact O-N 2.98Å; Q697-G699 PolarHBondContact O-N 3.48Å |
| 698 | A | 84.1 | Confident | 90.7 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I444 K451 I694 A695 K696 | I444-A698 HydrophobicContact CG2-CB 3.78Å; K451-A698 WeakPolarHBondContact CE-O 3.46Å; K451-A698 VanDerWaalsContact CG-O 3.22Å; K451-A698 WeakPolarHBondContact CG-O 3.34Å; I694-A698 VanDerWaalsContact O-CB 3.25Å; I694-A698 WeakPolarHBondContact O-CB 3.18Å; I694-A698 PolarHBondContact O-N 3.11Å; A695-A698 PolarHBondContact O-N 3.33Å; K696-A698 VanDerWaalsContact C-N 3.27Å; K696-A698 PolarHBondContact O-N 3.22Å |
| 699 | G | 82.5 | Confident | 90.5 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 22.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A695 K696 Q697 | A695-G699 PolarHBondContact O-N 3.41Å; K696-G699 PolarHBondContact O-N 3.34Å; Q697-G699 PolarHBondContact O-N 3.48Å |
| 700 | I | 86.5 | Confident | 90.4 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | trans | -71.5 | 137.7 | 175.5 | -65 | 177.3 | 0 | 0 | 0 | 110.1 | I444 A450 I666 I670 A695 L703 | I444-I700 HydrophobicContact CB-CD1 4.33Å; I444-I700 HydrophobicContact CD1-CD1 3.73Å; I444-I700 HydrophobicContact CG1-CD1 3.94Å; I444-I700 HydrophobicContact CG2-CD1 3.46Å; I444-I700 VanDerWaalsContact CG2-CD1 3.46Å; I444-I700 HydrophobicContact CG2-CG1 4.46Å; A450-I700 HydrophobicContact CB-CD1 4.36Å; A450-I700 HydrophobicContact CB-CG1 4.3Å; I666-I700 HydrophobicContact CG2-CD1 4.16Å; I666-I700 HydrophobicContact CG2-CG2 4.46Å; I670-I700 HydrophobicContact CD1-CG2 3.96Å; A695-I700 HydrophobicContact CB-CB 4.32Å; A695-I700 HydrophobicContact CB-CD1 3.99Å; A695-I700 WeakPolarHBondContact O-CB 3.44Å; A695-I700 PolarHBondContact O-N 3.44Å; I700-L703 HydrophobicContact CB-CD1 4.25Å; I700-L703 HydrophobicContact CG2-CD1 4.5Å; I700-L703 HydrophobicContact CG2-CD2 4.11Å; I700-L703 HydrophobicContact CG2-CG 4.31Å; I700-L703 WeakPolarHBondContact O-CD1 3.39Å | ||
| 701 | K | 85.3 | Confident | 90.2 | Very high | 114 Ų | 114 | 39.9 Ų | 39.9 | 50% | 0.496 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -93.2 | 159.6 | 177.3 | -57.6 | -177.7 | -174 | 174.6 | 0 | 111.2 | T453 E456 | T453-K701 HydrophobicContact CG2-CD 3.65Å; E456-K701 IonicContact OE1-NZ 2.8Å; E456-K701 IonicContact OE2-NZ 3.06Å |
| 702 | G | 86.4 | Confident | 90.1 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 84.6 | 22.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I670 E704 | I670-G702 WeakPolarHBondContact CG2-O 3.39Å; G702-E704 WeakPolarHBondContact CA-OE2 3.35Å; G702-E704 PolarHBondContact N-OE2 3.35Å |
| 703 | L | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -95.4 | -3.8 | -178.1 | -57.3 | 177.9 | 0 | 0 | 0 | 112.9 | I670 F692 A695 K696 I700 N705 G706 I707 | I670-L703 HydrophobicContact CD1-CD2 3.89Å; I670-L703 HydrophobicContact CG1-CD2 3.92Å; I670-L703 HydrophobicContact CG2-CD2 4.42Å; F692-L703 HydrophobicContact CD1-CB 4.34Å; F692-L703 HydrophobicContact CD1-CD2 4Å; F692-L703 HydrophobicContact CE1-CD2 4.03Å; A695-L703 HydrophobicContact CB-CD1 3.71Å; A695-L703 HydrophobicContact CB-CD2 4.01Å; K696-L703 HydrophobicContact CB-CD1 3.92Å; K696-L703 HydrophobicContact CD-CD1 4.25Å; I700-L703 HydrophobicContact CB-CD1 4.25Å; I700-L703 HydrophobicContact CG2-CD1 4.5Å; I700-L703 HydrophobicContact CG2-CD2 4.11Å; I700-L703 HydrophobicContact CG2-CG 4.31Å; I700-L703 WeakPolarHBondContact O-CD1 3.39Å; L703-N705 PolarHBondContact O-N 3.43Å; L703-G706 PolarHBondContact O-N 2.87Å; L703-G706 VanDerWaalsContact O-N 3.17Å; L703-I707 HydrophobicContact CB-CD1 3.96Å; L703-I707 HydrophobicContact CB-CG1 4.35Å; L703-I707 WeakPolarHBondContact O-CG1 3.39Å; L703-I707 PolarHBondContact O-N 3.11Å | ||
| 704 | E | 89 | Confident | 90 | Very high | 101 Ų | 101 | 44 Ų | 44 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.8 | -50.4 | -166.4 | -63.6 | 72 | -154.9 | 0 | 0 | 111.7 | G702 G706 I707 R708 | G702-E704 WeakPolarHBondContact CA-OE2 3.35Å; G702-E704 PolarHBondContact N-OE2 3.35Å; E704-G706 VanDerWaalsContact C-N 3.34Å; E704-G706 PolarHBondContact O-N 3Å; E704-I707 PolarHBondContact O-N 3.05Å; E704-R708 WeakPolarHBondContact O-CG 3.33Å; E704-R708 PolarHBondContact O-N 3.4Å |
| 705 | N | 89.3 | Confident | 90.1 | Very high | 101 Ų | 101 | 49.2 Ų | 49.2 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179 | -68.3 | -5.7 | 0 | 0 | 0 | 112.1 | L703 R708 L709 | L703-N705 PolarHBondContact O-N 3.43Å; N705-R708 PolarHBondContact O-N 2.63Å; N705-L709 WeakPolarHBondContact O-CG 3.24Å; N705-L709 PolarHBondContact O-N 3.29Å |
| 706 | G | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L677 L703 E704 L709 L710 | L677-G706 VanDerWaalsContact CD1-O 3.3Å; L677-G706 WeakPolarHBondContact CD1-O 3Å; L703-G706 PolarHBondContact O-N 2.87Å; L703-G706 VanDerWaalsContact O-N 3.17Å; E704-G706 VanDerWaalsContact C-N 3.34Å; E704-G706 PolarHBondContact O-N 3Å; G706-L709 PolarHBondContact O-N 3.29Å; G706-L710 WeakPolarHBondContact O-CB 3.17Å; G706-L710 PolarHBondContact O-N 3.13Å |
| 707 | I | 92.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 175.7 | -67.4 | 171 | 0 | 0 | 0 | 110.8 | K696 L703 E704 L710 L711 L732 Y733 | K696-I707 HydrophobicContact CB-CD1 4.46Å; K696-I707 HydrophobicContact CD-CD1 4.04Å; K696-I707 HydrophobicContact CG-CD1 4.25Å; L703-I707 HydrophobicContact CB-CD1 3.96Å; L703-I707 HydrophobicContact CB-CG1 4.35Å; L703-I707 WeakPolarHBondContact O-CG1 3.39Å; L703-I707 PolarHBondContact O-N 3.11Å; E704-I707 PolarHBondContact O-N 3.05Å; I707-L710 WeakPolarHBondContact O-CB 3.3Å; I707-L710 PolarHBondContact O-N 3.41Å; I707-L711 WeakPolarHBondContact O-CG 3.45Å; I707-L711 PolarHBondContact O-N 3.45Å; I707-L732 HydrophobicContact CG2-CD1 4.5Å; I707-Y733 WeakPolarHBondContact CG2-OH 3.43Å |
| 708 | R | 90.1 | Very high | 90.4 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 174.6 | -74.1 | -179 | -179.9 | 168.1 | -1.7 | 111.9 | E704 N705 L710 L711 T712 D766 E768 D771 | E704-R708 WeakPolarHBondContact O-CG 3.33Å; E704-R708 PolarHBondContact O-N 3.4Å; N705-R708 PolarHBondContact O-N 2.63Å; R708-L710 VanDerWaalsContact C-N 3.3Å; R708-L710 PolarHBondContact O-N 3.47Å; R708-L711 PolarHBondContact O-N 3.47Å; R708-L711 VanDerWaalsContact O-N 3.11Å; R708-T712 PolarHBondContact O-N 3.08Å; R708-D766 PolarHBondContact NH2-O 3.34Å; R708-E768 IonicContact NH1-OE1 2.6Å; R708-D771 IonicContact NE-OD2 3.62Å |
| 709 | L | 93.8 | Very high | 90.8 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 174.6 | -73.3 | 169.9 | 0 | 0 | 0 | 111.3 | L677 N705 G706 L711 T712 L713 | L677-L709 HydrophobicContact CD1-CB 3.86Å; N705-L709 WeakPolarHBondContact O-CG 3.24Å; N705-L709 PolarHBondContact O-N 3.29Å; G706-L709 PolarHBondContact O-N 3.29Å; L709-L711 VanDerWaalsContact C-N 3.33Å; L709-L711 PolarHBondContact O-N 2.76Å; L709-T712 PolarHBondContact O-N 3.24Å; L709-T712 VanDerWaalsContact O-N 3.14Å; L709-T712 PolarHBondContact O-OG1 2.89Å; L709-L713 PolarHBondContact O-N 3.25Å |
| 710 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.3 | -44.1 | 175.5 | 175.6 | 163.5 | 0 | 0 | 0 | 112.4 | L677 I689 F692 G706 I707 R708 T712 L713 V725 A728 | L677-L710 HydrophobicContact CD1-CB 4.32Å; L677-L710 HydrophobicContact CD2-CB 4.47Å; I689-L710 HydrophobicContact CB-CD1 4.28Å; I689-L710 HydrophobicContact CG1-CD1 4.11Å; I689-L710 HydrophobicContact CG1-CG 4.16Å; I689-L710 HydrophobicContact CG2-CD1 4.04Å; F692-L710 HydrophobicContact CB-CD1 4.09Å; G706-L710 WeakPolarHBondContact O-CB 3.17Å; G706-L710 PolarHBondContact O-N 3.13Å; I707-L710 WeakPolarHBondContact O-CB 3.3Å; I707-L710 PolarHBondContact O-N 3.41Å; R708-L710 VanDerWaalsContact C-N 3.3Å; R708-L710 PolarHBondContact O-N 3.47Å; L710-T712 VanDerWaalsContact C-N 3.3Å; L710-T712 PolarHBondContact O-N 3.08Å; L710-L713 WeakPolarHBondContact O-CB 3.42Å; L710-L713 PolarHBondContact O-N 3.44Å; L710-L713 VanDerWaalsContact O-N 3.15Å; L710-V725 HydrophobicContact CD2-CG1 4.27Å; L710-A728 HydrophobicContact CD1-CB 4.33Å; L710-A728 HydrophobicContact CD2-CB 4.25Å |
| 711 | L | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 179.4 | -66.8 | 176.2 | 0 | 0 | 0 | 112.2 | I707 R708 L709 L713 I714 C729 F763 I778 | I707-L711 WeakPolarHBondContact O-CG 3.45Å; I707-L711 PolarHBondContact O-N 3.45Å; R708-L711 PolarHBondContact O-N 3.47Å; R708-L711 VanDerWaalsContact O-N 3.11Å; L709-L711 VanDerWaalsContact C-N 3.33Å; L709-L711 PolarHBondContact O-N 2.76Å; L711-L713 PolarHBondContact O-N 3.36Å; L711-I714 VanDerWaalsContact O-CG2 3.3Å; L711-I714 WeakPolarHBondContact O-CG2 3.47Å; L711-I714 PolarHBondContact O-N 3.47Å; L711-C729 WeakPolarHBondContact CD2-SG 3.38Å; L711-F763 HydrophobicContact CD1-CE2 3.44Å; L711-F763 VanDerWaalsContact CD1-CE2 3.44Å; L711-F763 HydrophobicContact CD1-CZ 3.69Å; L711-I778 HydrophobicContact CD2-CD1 3.74Å |
| 712 | T | 92.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -21.3 | 177.7 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | R708 L709 L710 I714 W715 | R708-T712 PolarHBondContact O-N 3.08Å; L709-T712 PolarHBondContact O-N 3.24Å; L709-T712 VanDerWaalsContact O-N 3.14Å; L709-T712 PolarHBondContact O-OG1 2.89Å; L710-T712 VanDerWaalsContact C-N 3.3Å; L710-T712 PolarHBondContact O-N 3.08Å; T712-I714 PolarHBondContact O-N 3.09Å; T712-I714 VanDerWaalsContact O-N 3.08Å; T712-W715 WeakPolarHBondContact O-CB 3.22Å; T712-W715 PolarHBondContact O-N 2.99Å; T712-W715 VanDerWaalsContact O-N 3.08Å |
| 713 | L | 95.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -67.3 | -8.6 | 177.5 | -63.2 | 177.9 | 0 | 0 | 0 | 113.7 | L677 V685 I689 L709 L710 L711 W715 S716 I721 V725 | L677-L713 HydrophobicContact CB-CD1 4.41Å; L677-L713 HydrophobicContact CD2-CD1 3.85Å; V685-L713 HydrophobicContact CG1-CD1 3.59Å; I689-L713 HydrophobicContact CD1-CD1 4.25Å; L709-L713 PolarHBondContact O-N 3.25Å; L710-L713 WeakPolarHBondContact O-CB 3.42Å; L710-L713 PolarHBondContact O-N 3.44Å; L710-L713 VanDerWaalsContact O-N 3.15Å; L711-L713 PolarHBondContact O-N 3.36Å; L713-W715 PolarHBondContact O-N 3.33Å; L713-W715 VanDerWaalsContact O-N 3.14Å; L713-S716 WeakPolarHBondContact O-CB 3.47Å; L713-S716 PolarHBondContact O-N 3Å; L713-I721 HydrophobicContact CB-CG2 3.92Å; L713-I721 HydrophobicContact CD1-CG2 4.32Å; L713-V725 HydrophobicContact CB-CG2 3.64Å |
| 714 | I | 94.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -59 | -22.5 | 168.5 | -162.5 | 64.3 | 0 | 0 | 0 | 112.4 | L711 T712 K722 V725 I726 R777 I778 | L711-I714 VanDerWaalsContact O-CG2 3.3Å; L711-I714 WeakPolarHBondContact O-CG2 3.47Å; L711-I714 PolarHBondContact O-N 3.47Å; T712-I714 PolarHBondContact O-N 3.09Å; T712-I714 VanDerWaalsContact O-N 3.08Å; I714-K722 WeakPolarHBondContact O-CE 3.24Å; I714-V725 HydrophobicContact CB-CG1 4.26Å; I714-V725 HydrophobicContact CD1-CG1 4.37Å; I714-I726 HydrophobicContact CD1-CD1 4.23Å; I714-I726 HydrophobicContact CD1-CG1 3.86Å; I714-R777 HydrophobicContact CG1-CB 4.31Å; I714-R777 HydrophobicContact CG1-CG 3.85Å; I714-R777 HydrophobicContact CG2-CB 4.42Å; I714-R777 HydrophobicContact CG2-CG 4.49Å; I714-I778 HydrophobicContact CB-CD1 4.49Å; I714-I778 HydrophobicContact CB-CG1 4.09Å; I714-I778 HydrophobicContact CD1-CG1 3.92Å; I714-I778 HydrophobicContact CG1-CG1 3.79Å; I714-I778 HydrophobicContact CG2-CG1 4.49Å |
| 715 | W | 93 | Very high | 93.2 | Very high | 139 Ų | 139 | 54.4 Ų | 54.4 | 53% | 0.527 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -85.7 | -3.4 | 177.8 | -58.9 | 100.6 | 0 | 0 | 0 | 114 | T712 L713 V773 S774 R777 | T712-W715 WeakPolarHBondContact O-CB 3.22Å; T712-W715 PolarHBondContact O-N 2.99Å; T712-W715 VanDerWaalsContact O-N 3.08Å; L713-W715 PolarHBondContact O-N 3.33Å; L713-W715 VanDerWaalsContact O-N 3.14Å; W715-V773 HydrophobicContact CH2-CG1 4.13Å; W715-V773 HydrophobicContact CZ2-CG1 3.57Å; W715-S774 PolarHBondContact NE1-OG 3.14Å; W715-R777 HydrophobicContact CZ2-CB 4.35Å |
| 716 | S | 91.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | trans | -57.8 | 157.6 | 175.6 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | L713 E718 K722 | L713-S716 WeakPolarHBondContact O-CB 3.47Å; L713-S716 PolarHBondContact O-N 3Å; S716-E718 PolarHBondContact OG-N 2.91Å; S716-K722 WeakPolarHBondContact O-CE 3.44Å; S716-K722 PolarHBondContact O-NZ 2.88Å | ||
| 717 | Q | 88.7 | Confident | 93.4 | Very high | 166 Ų | 166 | 55.8 Ų | 55.8 | 78% | 0.776 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -82.4 | -19.8 | 170.9 | -60.8 | -56.8 | -21.4 | 0 | 0 | 112.3 | ||
| 718 | E | 91.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | trans | -76.1 | 122.2 | -177 | -65.4 | -55.7 | 137.6 | 0 | 0 | 113.1 | I682 S716 T720 I721 K722 | I682-E718 HydrophobicContact CD1-CG 4.28Å; I682-E718 HydrophobicContact CG1-CG 4.46Å; S716-E718 PolarHBondContact OG-N 2.91Å; E718-T720 VanDerWaalsContact C-N 3.33Å; E718-T720 PolarHBondContact O-N 3.42Å; E718-I721 HydrophobicContact CB-CB 4.07Å; E718-I721 HydrophobicContact CB-CD1 3.81Å; E718-I721 HydrophobicContact CB-CG1 3.85Å; E718-I721 HydrophobicContact CG-CD1 4.09Å; E718-I721 PolarHBondContact O-N 3.35Å; E718-K722 WeakPolarHBondContact O-CG 3.46Å; E718-K722 PolarHBondContact O-N 3.46Å; E718-K722 VanDerWaalsContact O-N 3.11Å | ||
| 719 | E | 91.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.7 | -31.1 | -178.2 | -175.5 | 59.8 | -161.6 | 0 | 0 | 112.5 | K723 | E719-K723 HydrophobicContact CG-CD 4.45Å; E719-K723 WeakPolarHBondContact O-CG 3.13Å; E719-K723 PolarHBondContact O-N 3.3Å; E719-K723 VanDerWaalsContact O-N 3.08Å; E719-K723 VanDerWaalsContact OE1-CE 3.24Å; E719-K723 WeakPolarHBondContact OE1-CE 3.48Å |
| 720 | T | 94.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -43 | 176.2 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | E718 K723 A724 | E718-T720 VanDerWaalsContact C-N 3.33Å; E718-T720 PolarHBondContact O-N 3.42Å; T720-K723 PolarHBondContact O-N 2.65Å; T720-A724 PolarHBondContact O-N 3.05Å; T720-A724 VanDerWaalsContact O-N 3.08Å |
| 721 | I | 95.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | 176.1 | -62.1 | 179.8 | 0 | 0 | 0 | 110 | I682 V685 L713 E718 K723 A724 V725 | I682-I721 HydrophobicContact CG2-CG1 4.36Å; V685-I721 HydrophobicContact CB-CD1 4.3Å; V685-I721 HydrophobicContact CG1-CD1 4.11Å; V685-I721 HydrophobicContact CG1-CG1 4.3Å; V685-I721 HydrophobicContact CG1-CG2 4.12Å; V685-I721 HydrophobicContact CG2-CD1 4.38Å; L713-I721 HydrophobicContact CB-CG2 3.92Å; L713-I721 HydrophobicContact CD1-CG2 4.32Å; E718-I721 HydrophobicContact CB-CB 4.07Å; E718-I721 HydrophobicContact CB-CD1 3.81Å; E718-I721 HydrophobicContact CB-CG1 3.85Å; E718-I721 HydrophobicContact CG-CD1 4.09Å; E718-I721 PolarHBondContact O-N 3.35Å; I721-K723 VanDerWaalsContact C-N 3.32Å; I721-K723 PolarHBondContact O-N 3.48Å; I721-A724 WeakPolarHBondContact O-CB 3.28Å; I721-A724 PolarHBondContact O-N 3.04Å; I721-A724 VanDerWaalsContact O-N 3.13Å; I721-V725 HydrophobicContact CG2-CG2 4.32Å; I721-V725 WeakPolarHBondContact O-CG2 3.08Å; I721-V725 PolarHBondContact O-N 3.12Å |
| 722 | K | 94.6 | Very high | 93 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 15% | 0.148 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 176.7 | -75.9 | 174.7 | 176.9 | 136.5 | 0 | 112.5 | I714 S716 E718 V725 I726 | I714-K722 WeakPolarHBondContact O-CE 3.24Å; S716-K722 WeakPolarHBondContact O-CE 3.44Å; S716-K722 PolarHBondContact O-NZ 2.88Å; E718-K722 WeakPolarHBondContact O-CG 3.46Å; E718-K722 PolarHBondContact O-N 3.46Å; E718-K722 VanDerWaalsContact O-N 3.11Å; K722-V725 PolarHBondContact O-N 3.4Å; K722-I726 WeakPolarHBondContact O-CD1 3.35Å; K722-I726 WeakPolarHBondContact O-CG1 3.5Å; K722-I726 PolarHBondContact O-N 3.42Å |
| 723 | K | 94.3 | Very high | 92.9 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.4 | -74.5 | 174.7 | -179 | 175.1 | 0 | 111.8 | E719 T720 I721 V725 I726 E727 | E719-K723 HydrophobicContact CG-CD 4.45Å; E719-K723 WeakPolarHBondContact O-CG 3.13Å; E719-K723 PolarHBondContact O-N 3.3Å; E719-K723 VanDerWaalsContact O-N 3.08Å; E719-K723 VanDerWaalsContact OE1-CE 3.24Å; E719-K723 WeakPolarHBondContact OE1-CE 3.48Å; T720-K723 PolarHBondContact O-N 2.65Å; I721-K723 VanDerWaalsContact C-N 3.32Å; I721-K723 PolarHBondContact O-N 3.48Å; K723-V725 VanDerWaalsContact C-N 3.34Å; K723-V725 PolarHBondContact O-N 3.39Å; K723-I726 PolarHBondContact O-N 2.72Å; K723-E727 WeakPolarHBondContact O-CG 3.36Å; K723-E727 PolarHBondContact O-N 3.07Å |
| 724 | A | 95.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I689 T720 I721 E727 A728 | I689-A724 HydrophobicContact CD1-CB 3.84Å; I689-A724 HydrophobicContact CG2-CB 4.29Å; T720-A724 PolarHBondContact O-N 3.05Å; T720-A724 VanDerWaalsContact O-N 3.08Å; I721-A724 WeakPolarHBondContact O-CB 3.28Å; I721-A724 PolarHBondContact O-N 3.04Å; I721-A724 VanDerWaalsContact O-N 3.13Å; A724-E727 PolarHBondContact O-N 3.21Å; A724-A728 WeakPolarHBondContact O-CB 3.34Å; A724-A728 PolarHBondContact O-N 3.04Å |
| 725 | V | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | I689 L710 L713 I714 I721 K722 K723 A728 C729 I778 | I689-V725 HydrophobicContact CD1-CG2 3.98Å; L710-V725 HydrophobicContact CD2-CG1 4.27Å; L713-V725 HydrophobicContact CB-CG2 3.64Å; I714-V725 HydrophobicContact CB-CG1 4.26Å; I714-V725 HydrophobicContact CD1-CG1 4.37Å; I721-V725 HydrophobicContact CG2-CG2 4.32Å; I721-V725 WeakPolarHBondContact O-CG2 3.08Å; I721-V725 PolarHBondContact O-N 3.12Å; K722-V725 PolarHBondContact O-N 3.4Å; K723-V725 VanDerWaalsContact C-N 3.34Å; K723-V725 PolarHBondContact O-N 3.39Å; V725-A728 WeakPolarHBondContact O-CB 3.33Å; V725-A728 PolarHBondContact O-N 3.38Å; V725-C729 WeakPolarHBondContact O-CB 3.36Å; V725-C729 PolarHBondContact O-N 3.43Å; V725-C729 PolarHBondContact O-SG 3.06Å; V725-I778 HydrophobicContact CG1-CD1 4.22Å |
| 726 | I | 93.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 179.5 | -65.7 | 154.8 | 0 | 0 | 0 | 110.9 | I714 K722 K723 A728 C729 Q730 Q781 L782 | I714-I726 HydrophobicContact CD1-CD1 4.23Å; I714-I726 HydrophobicContact CD1-CG1 3.86Å; K722-I726 WeakPolarHBondContact O-CD1 3.35Å; K722-I726 WeakPolarHBondContact O-CG1 3.5Å; K722-I726 PolarHBondContact O-N 3.42Å; K723-I726 PolarHBondContact O-N 2.72Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 2.91Å; I726-C729 PolarHBondContact O-N 3.02Å; I726-Q730 WeakPolarHBondContact O-CB 3.22Å; I726-Q730 PolarHBondContact O-N 3.4Å; I726-Q781 HydrophobicContact CD1-CB 4.16Å; I726-Q781 HydrophobicContact CD1-CG 3.42Å; I726-Q781 VanDerWaalsContact CD1-CG 3.42Å; I726-Q781 HydrophobicContact CG1-CG 4.25Å; I726-L782 HydrophobicContact CG2-CD2 3.47Å; I726-L782 VanDerWaalsContact CG2-CD2 3.47Å; I726-L782 HydrophobicContact CG2-CG 3.97Å |
| 727 | E | 92.7 | Very high | 90.6 | Very high | 108 Ų | 108 | 57 Ų | 57 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.3 | -72.1 | 178.4 | -166.5 | 0 | 0 | 111.8 | K723 A724 Q730 K731 | K723-E727 WeakPolarHBondContact O-CG 3.36Å; K723-E727 PolarHBondContact O-N 3.07Å; A724-E727 PolarHBondContact O-N 3.21Å; E727-Q730 PolarHBondContact O-N 2.97Å; E727-K731 WeakPolarHBondContact O-CG 3.38Å; E727-K731 PolarHBondContact O-N 3.32Å |
| 728 | A | 94.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I689 V693 L710 A724 V725 I726 Q730 K731 L732 | I689-A728 HydrophobicContact CG2-CB 3.7Å; V693-A728 HydrophobicContact CG2-CB 3.39Å; L710-A728 HydrophobicContact CD1-CB 4.33Å; L710-A728 HydrophobicContact CD2-CB 4.25Å; A724-A728 WeakPolarHBondContact O-CB 3.34Å; A724-A728 PolarHBondContact O-N 3.04Å; V725-A728 WeakPolarHBondContact O-CB 3.33Å; V725-A728 PolarHBondContact O-N 3.38Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 2.91Å; A728-Q730 VanDerWaalsContact C-N 3.28Å; A728-Q730 PolarHBondContact O-N 3.37Å; A728-K731 PolarHBondContact O-N 3.13Å; A728-L732 WeakPolarHBondContact O-CB 3.42Å; A728-L732 VanDerWaalsContact O-CG 3.23Å; A728-L732 WeakPolarHBondContact O-CG 3.44Å; A728-L732 PolarHBondContact O-N 3.15Å |
| 729 | C | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.5 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | L711 V725 I726 L732 Y733 I778 | L711-C729 WeakPolarHBondContact CD2-SG 3.38Å; V725-C729 WeakPolarHBondContact O-CB 3.36Å; V725-C729 PolarHBondContact O-N 3.43Å; V725-C729 PolarHBondContact O-SG 3.06Å; I726-C729 PolarHBondContact O-N 3.02Å; C729-L732 PolarHBondContact O-N 2.97Å; C729-Y733 PolarHBondContact O-N 3.26Å; C729-I778 HydrophobicContact CB-CG2 3.74Å; C729-I778 WeakPolarHBondContact SG-CD1 3.48Å |
| 730 | Q | 90.3 | Very high | 88.8 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -58.9 | -50.1 | 174.3 | -177 | 174.1 | 9.8 | 0 | 0 | 110.7 | I726 E727 A728 L732 L734 Q735 L782 | I726-Q730 WeakPolarHBondContact O-CB 3.22Å; I726-Q730 PolarHBondContact O-N 3.4Å; E727-Q730 PolarHBondContact O-N 2.97Å; A728-Q730 VanDerWaalsContact C-N 3.28Å; A728-Q730 PolarHBondContact O-N 3.37Å; Q730-L732 VanDerWaalsContact C-N 3.33Å; Q730-L732 PolarHBondContact O-N 3.28Å; Q730-L734 HydrophobicContact CG-CB 4.43Å; Q730-L734 CarbonylContact O-C 3.58Å; Q730-L734 WeakPolarHBondContact O-CA 3.49Å; Q730-L734 WeakPolarHBondContact O-CB 3.19Å; Q730-L734 PolarHBondContact O-N 3.23Å; Q730-Q735 PolarHBondContact O-N 3Å; Q730-L782 HydrophobicContact CB-CD2 4.35Å |
| 731 | K | 90.3 | Very high | 88.2 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -65.1 | -34 | 178.4 | -72.2 | 174.1 | -178.2 | 174.5 | 0 | 113.4 | V693 E727 A728 | V693-K731 HydrophobicContact CG1-CB 3.99Å; V693-K731 HydrophobicContact CG1-CD 3.84Å; E727-K731 WeakPolarHBondContact O-CG 3.38Å; E727-K731 PolarHBondContact O-N 3.32Å; A728-K731 PolarHBondContact O-N 3.13Å |
| 732 | L | 90.3 | Very high | 87.6 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -82.4 | -36.1 | -175.5 | -71.7 | 179.2 | 0 | 0 | 0 | 113.8 | V693 K696 I707 A728 C729 Q730 | V693-L732 HydrophobicContact CG2-CD1 4.45Å; V693-L732 HydrophobicContact CG2-CG 4.38Å; K696-L732 HydrophobicContact CB-CD2 3.66Å; K696-L732 HydrophobicContact CG-CD2 3.64Å; I707-L732 HydrophobicContact CG2-CD1 4.5Å; A728-L732 WeakPolarHBondContact O-CB 3.42Å; A728-L732 VanDerWaalsContact O-CG 3.23Å; A728-L732 WeakPolarHBondContact O-CG 3.44Å; A728-L732 PolarHBondContact O-N 3.15Å; C729-L732 PolarHBondContact O-N 2.97Å; Q730-L732 VanDerWaalsContact C-N 3.33Å; Q730-L732 PolarHBondContact O-N 3.28Å |
| 733 | Y | 89.5 | Confident | 87 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -124 | -22.3 | -169.1 | -59.9 | -71.9 | 0 | 0 | 0 | 114.5 | I707 C729 F763 M775 | I707-Y733 WeakPolarHBondContact CG2-OH 3.43Å; C729-Y733 PolarHBondContact O-N 3.26Å; Y733-F763 HydrophobicContact CD1-CB 4.22Å; Y733-F763 HydrophobicContact CE1-CB 3.97Å; Y733-F763 AromaticContact CE1-CD2 3.73Å; Y733-F763 HydrophobicContact CE1-CD2 3.73Å; Y733-F763 HydrophobicContact CE1-CG 4.13Å; Y733-F763 HydrophobicContact CE2-CD2 4.38Å; Y733-F763 AromaticContact CZ-CD2 3.63Å; Y733-M775 HydrophobicContact CD2-CE 3.95Å; Y733-M775 HydrophobicContact CE2-CE 4.16Å; Y733-M775 HydrophobicContact CG-CE 4.34Å |
| 734 | L | 87 | Confident | 86.2 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -111 | -15.1 | -175 | -73.7 | 76.6 | 0 | 0 | 0 | 114.1 | Q730 V756 L782 F788 | Q730-L734 HydrophobicContact CG-CB 4.43Å; Q730-L734 CarbonylContact O-C 3.58Å; Q730-L734 WeakPolarHBondContact O-CA 3.49Å; Q730-L734 WeakPolarHBondContact O-CB 3.19Å; Q730-L734 PolarHBondContact O-N 3.23Å; L734-V756 WeakPolarHBondContact O-CG2 3.27Å; L734-L782 HydrophobicContact CD1-CD1 4.22Å; L734-L782 HydrophobicContact CD2-CD1 3.84Å; L734-F788 HydrophobicContact CD2-CD2 4.19Å; L734-F788 HydrophobicContact CD2-CE1 4.47Å; L734-F788 HydrophobicContact CD2-CE2 3.55Å; L734-F788 HydrophobicContact CD2-CZ 3.72Å |
| 735 | Q | 83.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | trans | -107.4 | 112.9 | -178 | -166.4 | 174.3 | -4.1 | 0 | 0 | 110.6 | Q730 F742 | Q730-Q735 PolarHBondContact O-N 3Å; Q735-F742 HydrophobicContact CG-CZ 3.98Å | ||
| 736 | P | 82.1 | Confident | 84.3 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | trans | -71.9 | 151.6 | 170.2 | 30.3 | -35.9 | 0 | 0 | 0 | 111.5 | S738 Y741 F742 L748 I755 | P736-S738 PolarHBondContact O-N 3.16Å; P736-Y741 HydrophobicContact CB-CD2 3.66Å; P736-Y741 HydrophobicContact CB-CE2 4.42Å; P736-Y741 HydrophobicContact CB-CG 4.16Å; P736-Y741 HydrophobicContact CG-CD2 4.06Å; P736-Y741 HydrophobicContact CG-CG 4.15Å; P736-F742 HydrophobicContact CG-CE2 3.96Å; P736-F742 HydrophobicContact CG-CZ 4Å; P736-L748 HydrophobicContact CG-CD2 4.08Å; P736-I755 HydrophobicContact CB-CD1 4.46Å; P736-I755 HydrophobicContact CB-CG2 4.19Å | ||
| 737 | D | 74 | Confident | 83.7 | Confident | 156 Ų | 156 | 71 Ų | 71 | 83% | 0.834 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -67.7 | -28.3 | -169.7 | -65 | -39.6 | 0 | 0 | 0 | 114.7 | ||
| 738 | S | 77.7 | Confident | 83.3 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -100.6 | 138.1 | -176.4 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | P736 E740 Y741 | P736-S738 PolarHBondContact O-N 3.16Å; S738-E740 PolarHBondContact O-N 2.83Å; S738-E740 PolarHBondContact OG-N 3.3Å; S738-Y741 WeakPolarHBondContact O-CD2 3.43Å; S738-Y741 PolarHBondContact O-N 3.06Å |
| 739 | E | 75.7 | Confident | 83 | Confident | 176 Ų | 176 | 67.6 Ų | 67.6 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.5 | 174.4 | -67.3 | -173.3 | 173.4 | 0 | 0 | 112.9 | Y741 F742 | E739-Y741 PolarHBondContact O-N 3.09Å; E739-Y741 VanDerWaalsContact O-N 3.16Å; E739-F742 PolarHBondContact O-N 2.96Å; E739-F742 VanDerWaalsContact O-N 3.08Å |
| 740 | E | 79.9 | Confident | 82.9 | Confident | 158 Ų | 158 | 73.7 Ų | 73.7 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -62.8 | -20.6 | 178.5 | -63.4 | 178.7 | 170.9 | 0 | 0 | 113.3 | S738 F742 | S738-E740 PolarHBondContact O-N 2.83Å; S738-E740 PolarHBondContact OG-N 3.3Å; E740-F742 PolarHBondContact O-N 3.2Å |
| 741 | Y | 82.9 | Confident | 82.8 | Confident | 62 Ų | 62 | 78 Ų | 78 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -83.5 | 1.5 | 178.2 | -59.7 | -56.1 | 0 | 0 | 0 | 113.8 | P736 S738 E739 T749 E751 I755 | P736-Y741 HydrophobicContact CB-CD2 3.66Å; P736-Y741 HydrophobicContact CB-CE2 4.42Å; P736-Y741 HydrophobicContact CB-CG 4.16Å; P736-Y741 HydrophobicContact CG-CD2 4.06Å; P736-Y741 HydrophobicContact CG-CG 4.15Å; S738-Y741 WeakPolarHBondContact O-CD2 3.43Å; S738-Y741 PolarHBondContact O-N 3.06Å; E739-Y741 PolarHBondContact O-N 3.09Å; E739-Y741 VanDerWaalsContact O-N 3.16Å; Y741-T749 PolarHBondContact O-N 3.46Å; Y741-T749 PolarHBondContact O-OG1 2.98Å; Y741-E751 HydrophobicContact CD1-CB 4.18Å; Y741-E751 HydrophobicContact CE1-CB 4.22Å; Y741-I755 HydrophobicContact CD1-CD1 4.01Å; Y741-I755 HydrophobicContact CD2-CD1 4.06Å; Y741-I755 HydrophobicContact CE1-CD1 3.65Å; Y741-I755 HydrophobicContact CE2-CD1 3.66Å; Y741-I755 HydrophobicContact CG-CD1 4.21Å; Y741-I755 VanDerWaalsContact CZ-CD1 3.46Å |
| 742 | F | 82.9 | Confident | 82.7 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -111.2 | 137.2 | 175 | -60.6 | -88.5 | 0 | 0 | 0 | 110.5 | Q735 P736 E739 E740 L748 | Q735-F742 HydrophobicContact CG-CZ 3.98Å; P736-F742 HydrophobicContact CG-CE2 3.96Å; P736-F742 HydrophobicContact CG-CZ 4Å; E739-F742 PolarHBondContact O-N 2.96Å; E739-F742 VanDerWaalsContact O-N 3.08Å; E740-F742 PolarHBondContact O-N 3.2Å; F742-L748 HydrophobicContact CD1-CD2 4.16Å; F742-L748 HydrophobicContact CE1-CD2 3.75Å; F742-L748 HydrophobicContact CZ-CD2 4.18Å |
| 743 | K | 81.5 | Confident | 82.7 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | trans | -74.6 | 167.1 | 169.6 | -63.3 | -175.3 | -149.4 | 129.5 | 0 | 109.8 | D745 G746 T747 L748 T749 | K743-D745 VanDerWaalsContact CB-OD1 3.23Å; K743-D745 WeakPolarHBondContact CB-OD1 3.33Å; K743-D745 PolarHBondContact O-N 3.39Å; K743-D745 VanDerWaalsContact O-N 3.08Å; K743-G746 PolarHBondContact O-N 3.06Å; K743-T747 WeakPolarHBondContact CB-O 3.5Å; K743-T747 WeakPolarHBondContact CD-OG1 3.2Å; K743-T747 PolarHBondContact N-O 3.49Å; K743-T747 PolarHBondContact NZ-OG1 3.33Å; K743-L748 VanDerWaalsContact CE-O 3.23Å; K743-L748 WeakPolarHBondContact CE-O 3.44Å; K743-L748 PolarHBondContact NZ-O 3.01Å; K743-T749 HydrophobicContact CG-CG2 3.91Å | ||
| 744 | S | 76.6 | Confident | 82.9 | Confident | 141 Ų | 141 | 74 Ų | 74 | 99% | 0.986 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.2 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 745 | D | 77.1 | Confident | 83.1 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 60% | 0.599 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.3 | 174.9 | 64.6 | -3.5 | 0 | 0 | 0 | 113.7 | K743 T747 | K743-D745 VanDerWaalsContact CB-OD1 3.23Å; K743-D745 WeakPolarHBondContact CB-OD1 3.33Å; K743-D745 PolarHBondContact O-N 3.39Å; K743-D745 VanDerWaalsContact O-N 3.08Å; D745-T747 WeakPolarHBondContact OD1-CB 3.38Å; D745-T747 PolarHBondContact OD1-N 2.9Å; D745-T747 PolarHBondContact OD1-OG1 3.38Å; D745-T747 PolarHBondContact OD2-OG1 3.21Å |
| 746 | G | 76.8 | Confident | 83.5 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 89.5 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K743 | K743-G746 PolarHBondContact O-N 3.06Š|
| 747 | T | 80.8 | Confident | 84 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 17% | 0.172 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 152.7 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | K743 D745 D789 | K743-T747 WeakPolarHBondContact CB-O 3.5Å; K743-T747 WeakPolarHBondContact CD-OG1 3.2Å; K743-T747 PolarHBondContact N-O 3.49Å; K743-T747 PolarHBondContact NZ-OG1 3.33Å; D745-T747 WeakPolarHBondContact OD1-CB 3.38Å; D745-T747 PolarHBondContact OD1-N 2.9Å; D745-T747 PolarHBondContact OD1-OG1 3.38Å; D745-T747 PolarHBondContact OD2-OG1 3.21Å; T747-D789 VanDerWaalsContact CA-OD2 3.29Å; T747-D789 WeakPolarHBondContact CA-OD2 3.47Å |
| 748 | L | 83.7 | Confident | 85 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 140.7 | 178 | -70.7 | 168.2 | 0 | 0 | 0 | 112.8 | P736 F742 K743 V756 D789 L792 | P736-L748 HydrophobicContact CG-CD2 4.08Å; F742-L748 HydrophobicContact CD1-CD2 4.16Å; F742-L748 HydrophobicContact CE1-CD2 3.75Å; F742-L748 HydrophobicContact CZ-CD2 4.18Å; K743-L748 VanDerWaalsContact CE-O 3.23Å; K743-L748 WeakPolarHBondContact CE-O 3.44Å; K743-L748 PolarHBondContact NZ-O 3.01Å; L748-V756 HydrophobicContact CD1-CG2 4.19Å; L748-D789 PolarHBondContact N-OD2 2.68Å; L748-D789 VanDerWaalsContact N-OD2 3.09Å; L748-L792 HydrophobicContact CD1-CB 4.35Å; L748-L792 HydrophobicContact CD1-CD2 4.36Å |
| 749 | T | 89.5 | Confident | 85.7 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 18% | 0.184 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 168.7 | 163.5 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | Y741 K743 E751 G752 A753 | Y741-T749 PolarHBondContact O-N 3.46Å; Y741-T749 PolarHBondContact O-OG1 2.98Å; K743-T749 HydrophobicContact CG-CG2 3.91Å; T749-E751 VanDerWaalsContact C-N 3.31Å; T749-E751 PolarHBondContact O-N 3.39Å; T749-G752 PolarHBondContact O-N 3.35Å; T749-G752 PolarHBondContact OG1-N 3.15Å; T749-G752 VanDerWaalsContact OG1-N 3.17Å; T749-A753 WeakPolarHBondContact O-CB 3.21Å; T749-A753 PolarHBondContact O-N 2.91Å |
| 750 | I | 88.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 178.3 | -62 | 172.1 | 0 | 0 | 0 | 110.6 | A753 D754 | I750-A753 PolarHBondContact O-N 3.24Å; I750-D754 PolarHBondContact O-N 3Å |
| 751 | E | 87.7 | Confident | 87.1 | Confident | 139 Ų | 139 | 51.1 Ų | 51.1 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 176.2 | -63.8 | 178.4 | -176.5 | 0 | 0 | 111.2 | Y741 T749 A753 D754 I755 | Y741-E751 HydrophobicContact CD1-CB 4.18Å; Y741-E751 HydrophobicContact CE1-CB 4.22Å; T749-E751 VanDerWaalsContact C-N 3.31Å; T749-E751 PolarHBondContact O-N 3.39Å; E751-A753 PolarHBondContact O-N 3.44Å; E751-D754 PolarHBondContact O-N 2.92Å; E751-I755 WeakPolarHBondContact O-CG1 3.47Å; E751-I755 PolarHBondContact O-N 3.39Å; E751-I755 VanDerWaalsContact O-N 3.1Å |
| 752 | G | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | T749 D754 I755 V756 | T749-G752 PolarHBondContact O-N 3.35Å; T749-G752 PolarHBondContact OG1-N 3.15Å; T749-G752 VanDerWaalsContact OG1-N 3.17Å; G752-D754 VanDerWaalsContact C-N 3.27Å; G752-D754 PolarHBondContact O-N 3.38Å; G752-I755 PolarHBondContact O-N 3Å; G752-V756 WeakPolarHBondContact O-CG2 3.48Å; G752-V756 PolarHBondContact O-N 3.21Å; G752-V756 VanDerWaalsContact O-N 3.08Å |
| 753 | A | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T749 I750 E751 A757 L792 H795 | T749-A753 WeakPolarHBondContact O-CB 3.21Å; T749-A753 PolarHBondContact O-N 2.91Å; I750-A753 PolarHBondContact O-N 3.24Å; E751-A753 PolarHBondContact O-N 3.44Å; A753-A757 WeakPolarHBondContact O-CB 3.32Å; A753-A757 PolarHBondContact O-N 2.64Å; A753-L792 HydrophobicContact CB-CD1 4.18Å; A753-H795 HydrophobicContact CB-CB 3.84Å |
| 754 | D | 93 | Very high | 88.4 | Confident | 67 Ų | 67 | 46.3 Ų | 46.3 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 176.4 | -163.7 | 53.9 | 0 | 0 | 0 | 113.1 | I750 E751 G752 A757 T758 H795 R799 | I750-D754 PolarHBondContact O-N 3Å; E751-D754 PolarHBondContact O-N 2.92Å; G752-D754 VanDerWaalsContact C-N 3.27Å; G752-D754 PolarHBondContact O-N 3.38Å; D754-A757 PolarHBondContact O-N 3.19Å; D754-T758 WeakPolarHBondContact O-CB 3.43Å; D754-T758 PolarHBondContact O-N 3.44Å; D754-T758 PolarHBondContact O-OG1 3.48Å; D754-H795 VanDerWaalsContact CA-NE2 3.33Å; D754-H795 WeakPolarHBondContact CA-NE2 3.45Å; D754-H795 WeakPolarHBondContact CB-NE2 3.2Å; D754-H795 IonicContact OD1-CE1 3.68Å; D754-H795 IonicContact OD1-NE2 3.97Å; D754-H795 PolarHBondContact OD1-NE2 3Å; D754-H795 VanDerWaalsContact OD1-NE2 3.08Å; D754-R799 PolarHBondContact O-NH1 3.26Å; D754-R799 VanDerWaalsContact O-NH1 3.12Å; D754-R799 IonicContact OD1-NH1 3.53Å; D754-R799 PolarHBondContact OD1-NH1 3.47Å; D754-R799 VanDerWaalsContact OD1-NH1 3.16Å |
| 755 | I | 91.1 | Very high | 89 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 172.9 | -66.2 | 167.3 | 0 | 0 | 0 | 110 | P736 Y741 E751 G752 A757 T758 N759 | P736-I755 HydrophobicContact CB-CD1 4.46Å; P736-I755 HydrophobicContact CB-CG2 4.19Å; Y741-I755 HydrophobicContact CD1-CD1 4.01Å; Y741-I755 HydrophobicContact CD2-CD1 4.06Å; Y741-I755 HydrophobicContact CE1-CD1 3.65Å; Y741-I755 HydrophobicContact CE2-CD1 3.66Å; Y741-I755 HydrophobicContact CG-CD1 4.21Å; Y741-I755 VanDerWaalsContact CZ-CD1 3.46Å; E751-I755 WeakPolarHBondContact O-CG1 3.47Å; E751-I755 PolarHBondContact O-N 3.39Å; E751-I755 VanDerWaalsContact O-N 3.1Å; G752-I755 PolarHBondContact O-N 3Å; I755-A757 PolarHBondContact O-N 3.02Å; I755-T758 WeakPolarHBondContact O-CB 3.36Å; I755-T758 PolarHBondContact O-N 3.22Å; I755-T758 VanDerWaalsContact O-N 3.12Å; I755-N759 VanDerWaalsContact O-CG 3.3Å; I755-N759 PolarHBondContact O-N 3.46Å; I755-N759 PolarHBondContact O-OD1 3.4Å |
| 756 | V | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L734 L748 G752 T758 N759 L760 L792 | L734-V756 WeakPolarHBondContact O-CG2 3.27Å; L748-V756 HydrophobicContact CD1-CG2 4.19Å; G752-V756 WeakPolarHBondContact O-CG2 3.48Å; G752-V756 PolarHBondContact O-N 3.21Å; G752-V756 VanDerWaalsContact O-N 3.08Å; V756-T758 VanDerWaalsContact C-N 3.27Å; V756-T758 PolarHBondContact O-N 2.94Å; V756-N759 PolarHBondContact O-N 2.83Å; V756-L760 HydrophobicContact CG1-CD1 4.1Å; V756-L760 HydrophobicContact CG1-CG 4.49Å; V756-L760 WeakPolarHBondContact O-CG 3.34Å; V756-L760 PolarHBondContact O-N 2.86Å; V756-L792 HydrophobicContact CB-CD1 4.12Å; V756-L792 HydrophobicContact CG1-CD1 3.82Å; V756-L792 HydrophobicContact CG1-CD2 3.98Å |
| 757 | A | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A753 D754 I755 S761 L796 | A753-A757 WeakPolarHBondContact O-CB 3.32Å; A753-A757 PolarHBondContact O-N 2.64Å; D754-A757 PolarHBondContact O-N 3.19Å; I755-A757 PolarHBondContact O-N 3.02Å; A757-S761 WeakPolarHBondContact O-CB 3.39Å; A757-S761 PolarHBondContact O-N 3.01Å; A757-L796 HydrophobicContact CB-CD2 3.76Å |
| 758 | T | 93.9 | Very high | 90.2 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | D754 I755 V756 L760 S761 N762 R799 | D754-T758 WeakPolarHBondContact O-CB 3.43Å; D754-T758 PolarHBondContact O-N 3.44Å; D754-T758 PolarHBondContact O-OG1 3.48Å; I755-T758 WeakPolarHBondContact O-CB 3.36Å; I755-T758 PolarHBondContact O-N 3.22Å; I755-T758 VanDerWaalsContact O-N 3.12Å; V756-T758 VanDerWaalsContact C-N 3.27Å; V756-T758 PolarHBondContact O-N 2.94Å; T758-L760 VanDerWaalsContact C-N 3.34Å; T758-L760 PolarHBondContact O-N 3.48Å; T758-S761 PolarHBondContact O-N 3.15Å; T758-N762 WeakPolarHBondContact O-CB 3.42Å; T758-N762 PolarHBondContact O-N 3.39Å; T758-N762 PolarHBondContact O-ND2 3.49Å; T758-R799 VanDerWaalsContact N-NH1 3.18Å; T758-R799 PolarHBondContact OG1-NH1 3Å; T758-R799 PolarHBondContact OG1-NH2 3.5Å |
| 759 | N | 92 | Very high | 90.1 | Very high | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.5 | -68.7 | -12.1 | 0 | 0 | 0 | 111.5 | I755 V756 F763 | I755-N759 VanDerWaalsContact O-CG 3.3Å; I755-N759 PolarHBondContact O-N 3.46Å; I755-N759 PolarHBondContact O-OD1 3.4Å; V756-N759 PolarHBondContact O-N 2.83Å; N759-F763 WeakPolarHBondContact O-CB 3.44Å; N759-F763 PolarHBondContact O-N 3.5Å |
| 760 | L | 93 | Very high | 89.7 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -37.8 | 176.7 | -66.2 | 173.9 | 0 | 0 | 0 | 112.4 | V756 T758 F763 I764 I821 | V756-L760 HydrophobicContact CG1-CD1 4.1Å; V756-L760 HydrophobicContact CG1-CG 4.49Å; V756-L760 WeakPolarHBondContact O-CG 3.34Å; V756-L760 PolarHBondContact O-N 2.86Å; T758-L760 VanDerWaalsContact C-N 3.34Å; T758-L760 PolarHBondContact O-N 3.48Å; L760-F763 PolarHBondContact O-N 3.32Å; L760-I764 WeakPolarHBondContact O-CG1 3.39Å; L760-I764 PolarHBondContact O-N 3.48Å; L760-I821 HydrophobicContact CB-CD1 3.47Å; L760-I821 VanDerWaalsContact CB-CD1 3.47Å; L760-I821 HydrophobicContact CB-CG1 4.24Å; L760-I821 HydrophobicContact CD1-CD1 4.32Å; L760-I821 HydrophobicContact CD1-CG2 4.25Å |
| 761 | S | 93.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.2 | -164.9 | 0 | 0 | 0 | 0 | 111.6 | A757 T758 I764 R765 D814 S817 | A757-S761 WeakPolarHBondContact O-CB 3.39Å; A757-S761 PolarHBondContact O-N 3.01Å; T758-S761 PolarHBondContact O-N 3.15Å; S761-I764 PolarHBondContact O-N 2.92Å; S761-R765 PolarHBondContact O-N 3.27Å; S761-R765 VanDerWaalsContact O-N 3.08Å; S761-D814 VanDerWaalsContact CB-OD1 3.31Å; S761-D814 WeakPolarHBondContact CB-OD1 3.5Å; S761-D814 PolarHBondContact OG-OD1 2.95Å; S761-S817 WeakPolarHBondContact OG-CB 3.49Å |
| 762 | N | 91.2 | Very high | 89.9 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.2 | -74.6 | -27.4 | 0 | 0 | 0 | 111.8 | T758 I764 R765 D766 | T758-N762 WeakPolarHBondContact O-CB 3.42Å; T758-N762 PolarHBondContact O-N 3.39Å; T758-N762 PolarHBondContact O-ND2 3.49Å; N762-I764 PolarHBondContact O-N 3.45Å; N762-R765 PolarHBondContact O-N 2.87Å; N762-D766 PolarHBondContact O-N 3.04Å |
| 763 | F | 91.2 | Very high | 90 | Very high | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.088 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.4 | -50.7 | 174.9 | 172.6 | -98.2 | 0 | 0 | 0 | 111.3 | L711 Y733 N759 L760 R765 D766 S767 D771 M775 | L711-F763 HydrophobicContact CD1-CE2 3.44Å; L711-F763 VanDerWaalsContact CD1-CE2 3.44Å; L711-F763 HydrophobicContact CD1-CZ 3.69Å; Y733-F763 HydrophobicContact CD1-CB 4.22Å; Y733-F763 HydrophobicContact CE1-CB 3.97Å; Y733-F763 AromaticContact CE1-CD2 3.73Å; Y733-F763 HydrophobicContact CE1-CD2 3.73Å; Y733-F763 HydrophobicContact CE1-CG 4.13Å; Y733-F763 HydrophobicContact CE2-CD2 4.38Å; Y733-F763 AromaticContact CZ-CD2 3.63Å; N759-F763 WeakPolarHBondContact O-CB 3.44Å; N759-F763 PolarHBondContact O-N 3.5Å; L760-F763 PolarHBondContact O-N 3.32Å; F763-R765 VanDerWaalsContact C-N 3.33Å; F763-R765 PolarHBondContact O-N 2.95Å; F763-D766 PolarHBondContact O-N 2.84Å; F763-S767 WeakPolarHBondContact CE1-OG 3.45Å; F763-S767 WeakPolarHBondContact CE2-OG 3.43Å; F763-S767 VanDerWaalsContact CZ-OG 3.24Å; F763-S767 WeakPolarHBondContact CZ-OG 3.48Å; F763-S767 VanDerWaalsContact O-CB 3.24Å; F763-S767 WeakPolarHBondContact O-CB 3.47Å; F763-S767 PolarHBondContact O-N 2.89Å; F763-S767 PolarHBondContact O-OG 3.34Å; F763-D771 HydrophobicContact CZ-CB 4.05Å; F763-M775 HydrophobicContact CD1-CE 3.51Å; F763-M775 HydrophobicContact CD1-CG 4.24Å; F763-M775 HydrophobicContact CD2-CE 4.08Å; F763-M775 HydrophobicContact CE1-CB 3.63Å; F763-M775 HydrophobicContact CE1-CE 3.33Å; F763-M775 HydrophobicContact CE1-CG 3.64Å; F763-M775 HydrophobicContact CE1-SD 4.34Å; F763-M775 HydrophobicContact CE2-CE 3.92Å; F763-M775 HydrophobicContact CG-CE 3.89Å; F763-M775 HydrophobicContact CZ-CB 4.03Å; F763-M775 HydrophobicContact CZ-CE 3.54Å; F763-M775 HydrophobicContact CZ-CG 4.35Å |
| 764 | I | 91.9 | Very high | 90 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | -178.4 | -70.5 | -176.3 | 0 | 0 | 0 | 112.3 | L760 S761 N762 D766 S767 L772 L820 I821 | L760-I764 WeakPolarHBondContact O-CG1 3.39Å; L760-I764 PolarHBondContact O-N 3.48Å; S761-I764 PolarHBondContact O-N 2.92Å; N762-I764 PolarHBondContact O-N 3.45Å; I764-D766 VanDerWaalsContact C-N 3.26Å; I764-D766 PolarHBondContact O-N 3.46Å; I764-S767 PolarHBondContact O-N 3.42Å; I764-L772 HydrophobicContact CB-CD2 4.39Å; I764-L772 HydrophobicContact CG1-CD2 3.97Å; I764-L772 HydrophobicContact CG2-CD2 4.23Å; I764-L820 HydrophobicContact CD1-CB 3.87Å; I764-L820 HydrophobicContact CG2-CD1 3.78Å; I764-I821 HydrophobicContact CD1-CD1 4.13Å; I764-I821 HydrophobicContact CD1-CG1 3.39Å |
| 765 | R | 88.8 | Confident | 90 | Very high | 146 Ų | 146 | 45 Ų | 45 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.6 | -33.7 | -179.5 | -173.2 | 174.9 | 56.4 | 60.1 | 17.7 | 112.6 | S761 N762 F763 | S761-R765 PolarHBondContact O-N 3.27Å; S761-R765 VanDerWaalsContact O-N 3.08Å; N762-R765 PolarHBondContact O-N 2.87Å; F763-R765 VanDerWaalsContact C-N 3.33Å; F763-R765 PolarHBondContact O-N 2.95Å |
| 766 | D | 83.5 | Confident | 90 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 10.5 | -175.1 | -57.7 | -35.1 | 0 | 0 | 0 | 113 | R708 N762 F763 I764 | R708-D766 PolarHBondContact NH2-O 3.34Å; N762-D766 PolarHBondContact O-N 3.04Å; F763-D766 PolarHBondContact O-N 2.84Å; I764-D766 VanDerWaalsContact C-N 3.26Å; I764-D766 PolarHBondContact O-N 3.46Å |
| 767 | S | 89.4 | Confident | 89.9 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | trans | -100.5 | 148 | -174.7 | -77.1 | 0 | 0 | 0 | 0 | 114.3 | F763 I764 | F763-S767 WeakPolarHBondContact CE1-OG 3.45Å; F763-S767 WeakPolarHBondContact CE2-OG 3.43Å; F763-S767 VanDerWaalsContact CZ-OG 3.24Å; F763-S767 WeakPolarHBondContact CZ-OG 3.48Å; F763-S767 VanDerWaalsContact O-CB 3.24Å; F763-S767 WeakPolarHBondContact O-CB 3.47Å; F763-S767 PolarHBondContact O-N 2.89Å; F763-S767 PolarHBondContact O-OG 3.34Å; I764-S767 PolarHBondContact O-N 3.42Å | ||
| 768 | E | 86.1 | Confident | 89.9 | Confident | 122 Ų | 122 | 47.9 Ų | 47.9 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | trans | -89.6 | 171.1 | 169.1 | -65.5 | 178.7 | -159.4 | 0 | 0 | 112.1 | R708 G770 D771 L772 | R708-E768 IonicContact NH1-OE1 2.6Å; E768-G770 PolarHBondContact O-N 3.47Å; E768-D771 PolarHBondContact N-OD2 3.49Å; E768-D771 WeakPolarHBondContact O-CB 3.22Å; E768-D771 PolarHBondContact O-N 3.3Å; E768-D771 VanDerWaalsContact O-N 3.11Å; E768-L772 WeakPolarHBondContact O-CG 3.49Å; E768-L772 PolarHBondContact O-N 3.2Å; E768-L772 VanDerWaalsContact O-N 3.12Å | ||
| 769 | M | 81.7 | Confident | 89.7 | Confident | 143 Ų | 143 | 45.9 Ų | 45.9 | 70% | 0.704 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.3 | -35.6 | 179.6 | -172.6 | 63.9 | 68 | 0 | 0 | 112.5 | L772 V773 | M769-L772 PolarHBondContact O-N 3.35Å; M769-V773 WeakPolarHBondContact O-CG2 3.39Å; M769-V773 PolarHBondContact O-N 3.17Å; M769-V773 VanDerWaalsContact O-N 3.15Å |
| 770 | G | 81.7 | Confident | 89.5 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E768 V773 S774 | E768-G770 PolarHBondContact O-N 3.47Å; G770-V773 PolarHBondContact O-N 3.32Å; G770-S774 PolarHBondContact O-N 2.98Å; G770-S774 PolarHBondContact O-OG 3.25Å |
| 771 | D | 88.5 | Confident | 89.3 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.7 | -59.6 | -34.1 | 0 | 0 | 0 | 110.8 | R708 F763 E768 V773 S774 M775 | R708-D771 IonicContact NE-OD2 3.62Å; F763-D771 HydrophobicContact CZ-CB 4.05Å; E768-D771 PolarHBondContact N-OD2 3.49Å; E768-D771 WeakPolarHBondContact O-CB 3.22Å; E768-D771 PolarHBondContact O-N 3.3Å; E768-D771 VanDerWaalsContact O-N 3.11Å; D771-V773 VanDerWaalsContact C-N 3.34Å; D771-V773 PolarHBondContact O-N 3.44Å; D771-S774 PolarHBondContact O-N 3.48Å; D771-M775 VanDerWaalsContact O-CB 3.32Å; D771-M775 WeakPolarHBondContact O-CB 3.48Å; D771-M775 PolarHBondContact O-N 3.17Å |
| 772 | L | 90.8 | Very high | 89 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 178.6 | -63 | 179 | 0 | 0 | 0 | 112.3 | I764 E768 M769 E776 M824 | I764-L772 HydrophobicContact CB-CD2 4.39Å; I764-L772 HydrophobicContact CG1-CD2 3.97Å; I764-L772 HydrophobicContact CG2-CD2 4.23Å; E768-L772 WeakPolarHBondContact O-CG 3.49Å; E768-L772 PolarHBondContact O-N 3.2Å; E768-L772 VanDerWaalsContact O-N 3.12Å; M769-L772 PolarHBondContact O-N 3.35Å; L772-E776 WeakPolarHBondContact O-CB 3.36Å; L772-E776 PolarHBondContact O-N 3.37Å; L772-M824 HydrophobicContact CB-CE 4.03Å; L772-M824 HydrophobicContact CD2-CE 4Å; L772-M824 WeakPolarHBondContact O-CE 3.49Å |
| 773 | V | 91.4 | Very high | 88.7 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 39% | 0.394 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 178.4 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | W715 M769 G770 D771 R777 | W715-V773 HydrophobicContact CH2-CG1 4.13Å; W715-V773 HydrophobicContact CZ2-CG1 3.57Å; M769-V773 WeakPolarHBondContact O-CG2 3.39Å; M769-V773 PolarHBondContact O-N 3.17Å; M769-V773 VanDerWaalsContact O-N 3.15Å; G770-V773 PolarHBondContact O-N 3.32Å; D771-V773 VanDerWaalsContact C-N 3.34Å; D771-V773 PolarHBondContact O-N 3.44Å; V773-R777 PolarHBondContact O-N 3.5Å |
| 774 | S | 91.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | W715 G770 D771 E776 R777 I778 | W715-S774 PolarHBondContact NE1-OG 3.14Å; G770-S774 PolarHBondContact O-N 2.98Å; G770-S774 PolarHBondContact O-OG 3.25Å; D771-S774 PolarHBondContact O-N 3.48Å; S774-E776 VanDerWaalsContact C-N 3.34Å; S774-E776 PolarHBondContact O-N 3.39Å; S774-R777 WeakPolarHBondContact O-CB 3.41Å; S774-R777 PolarHBondContact O-N 3.05Å; S774-R777 VanDerWaalsContact O-N 3.12Å; S774-I778 WeakPolarHBondContact O-CG1 3.22Å; S774-I778 PolarHBondContact O-N 3.32Å |
| 775 | M | 92.4 | Very high | 88 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 175.1 | -175.9 | 61.6 | 84.3 | 0 | 0 | 112 | Y733 F763 D771 R777 I778 I779 M824 | Y733-M775 HydrophobicContact CD2-CE 3.95Å; Y733-M775 HydrophobicContact CE2-CE 4.16Å; Y733-M775 HydrophobicContact CG-CE 4.34Å; F763-M775 HydrophobicContact CD1-CE 3.51Å; F763-M775 HydrophobicContact CD1-CG 4.24Å; F763-M775 HydrophobicContact CD2-CE 4.08Å; F763-M775 HydrophobicContact CE1-CB 3.63Å; F763-M775 HydrophobicContact CE1-CE 3.33Å; F763-M775 HydrophobicContact CE1-CG 3.64Å; F763-M775 HydrophobicContact CE1-SD 4.34Å; F763-M775 HydrophobicContact CE2-CE 3.92Å; F763-M775 HydrophobicContact CG-CE 3.89Å; F763-M775 HydrophobicContact CZ-CB 4.03Å; F763-M775 HydrophobicContact CZ-CE 3.54Å; F763-M775 HydrophobicContact CZ-CG 4.35Å; D771-M775 VanDerWaalsContact O-CB 3.32Å; D771-M775 WeakPolarHBondContact O-CB 3.48Å; D771-M775 PolarHBondContact O-N 3.17Å; M775-R777 VanDerWaalsContact C-N 3.26Å; M775-R777 PolarHBondContact O-N 2.91Å; M775-I778 PolarHBondContact O-N 2.93Å; M775-I779 HydrophobicContact CG-CD1 3.86Å; M775-I779 HydrophobicContact CG-CG1 4.3Å; M775-I779 WeakPolarHBondContact O-CB 3.28Å; M775-I779 WeakPolarHBondContact O-CG1 3.48Å; M775-I779 PolarHBondContact O-N 3.23Å; M775-I779 HydrophobicContact SD-CD1 4.16Å; M775-I779 HydrophobicContact SD-CG1 4.1Å; M775-M824 HydrophobicContact CG-SD 4.17Å |
| 776 | E | 91.2 | Very high | 87.5 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 174.8 | 178.3 | 172.5 | 165.1 | 0 | 0 | 111.3 | L772 S774 Q780 M824 K827 R868 | L772-E776 WeakPolarHBondContact O-CB 3.36Å; L772-E776 PolarHBondContact O-N 3.37Å; S774-E776 VanDerWaalsContact C-N 3.34Å; S774-E776 PolarHBondContact O-N 3.39Å; E776-Q780 VanDerWaalsContact CG-NE2 3.27Å; E776-Q780 VanDerWaalsContact O-CD 3.26Å; E776-Q780 WeakPolarHBondContact O-CG 3.31Å; E776-Q780 PolarHBondContact O-N 3.21Å; E776-Q780 PolarHBondContact O-NE2 3.11Å; E776-Q780 PolarHBondContact OE1-NE2 3.31Å; E776-M824 HydrophobicContact CB-CB 4.47Å; E776-M824 HydrophobicContact CB-CG 3.85Å; E776-M824 HydrophobicContact CB-SD 4.27Å; E776-M824 HydrophobicContact CG-CB 4.37Å; E776-M824 HydrophobicContact CG-CG 4.07Å; E776-K827 WeakPolarHBondContact OE1-CD 3.46Å; E776-K827 IonicContact OE1-NZ 3.74Å; E776-K827 PolarHBondContact OE1-NZ 2.74Å; E776-R868 IonicContact OE1-NH2 3.02Å |
| 777 | R | 91.2 | Very high | 87.1 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | 177.3 | -173.9 | 59.6 | 160.8 | 90.2 | 2 | 112.5 | I714 W715 V773 S774 M775 Q780 Q781 | I714-R777 HydrophobicContact CG1-CB 4.31Å; I714-R777 HydrophobicContact CG1-CG 3.85Å; I714-R777 HydrophobicContact CG2-CB 4.42Å; I714-R777 HydrophobicContact CG2-CG 4.49Å; W715-R777 HydrophobicContact CZ2-CB 4.35Å; V773-R777 PolarHBondContact O-N 3.5Å; S774-R777 WeakPolarHBondContact O-CB 3.41Å; S774-R777 PolarHBondContact O-N 3.05Å; S774-R777 VanDerWaalsContact O-N 3.12Å; M775-R777 VanDerWaalsContact C-N 3.26Å; M775-R777 PolarHBondContact O-N 2.91Å; R777-Q780 PolarHBondContact O-N 2.96Å; R777-Q781 PolarHBondContact O-N 3.43Å |
| 778 | I | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 177.3 | -67.9 | 158.8 | 0 | 0 | 0 | 110.4 | L711 I714 V725 C729 S774 M775 Q780 Q781 L782 | L711-I778 HydrophobicContact CD2-CD1 3.74Å; I714-I778 HydrophobicContact CB-CD1 4.49Å; I714-I778 HydrophobicContact CB-CG1 4.09Å; I714-I778 HydrophobicContact CD1-CG1 3.92Å; I714-I778 HydrophobicContact CG1-CG1 3.79Å; I714-I778 HydrophobicContact CG2-CG1 4.49Å; V725-I778 HydrophobicContact CG1-CD1 4.22Å; C729-I778 HydrophobicContact CB-CG2 3.74Å; C729-I778 WeakPolarHBondContact SG-CD1 3.48Å; S774-I778 WeakPolarHBondContact O-CG1 3.22Å; S774-I778 PolarHBondContact O-N 3.32Å; M775-I778 PolarHBondContact O-N 2.93Å; I778-Q780 VanDerWaalsContact C-N 3.3Å; I778-Q780 PolarHBondContact O-N 3.46Å; I778-Q781 PolarHBondContact O-N 3.01Å; I778-L782 HydrophobicContact CG2-CD1 3.78Å; I778-L782 HydrophobicContact CG2-CG 4.33Å; I778-L782 WeakPolarHBondContact O-CG 3.47Å; I778-L782 PolarHBondContact O-N 3.07Å |
| 779 | I | 90 | Very high | 86.2 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.2 | -71.1 | 174 | 0 | 0 | 0 | 111 | M775 Q781 L782 I783 F788 M824 I825 | M775-I779 HydrophobicContact CG-CD1 3.86Å; M775-I779 HydrophobicContact CG-CG1 4.3Å; M775-I779 WeakPolarHBondContact O-CB 3.28Å; M775-I779 WeakPolarHBondContact O-CG1 3.48Å; M775-I779 PolarHBondContact O-N 3.23Å; M775-I779 HydrophobicContact SD-CD1 4.16Å; M775-I779 HydrophobicContact SD-CG1 4.1Å; I779-Q781 VanDerWaalsContact C-N 3.3Å; I779-Q781 PolarHBondContact O-N 3.02Å; I779-L782 PolarHBondContact O-N 3.13Å; I779-I783 HydrophobicContact CG2-CD1 3.63Å; I779-I783 HydrophobicContact CG2-CG1 4.37Å; I779-I783 WeakPolarHBondContact O-CG1 3.48Å; I779-I783 PolarHBondContact O-N 3.5Å; I779-F788 HydrophobicContact CB-CZ 4.49Å; I779-F788 HydrophobicContact CG1-CE2 4.44Å; I779-F788 HydrophobicContact CG1-CZ 4.11Å; I779-F788 HydrophobicContact CG2-CE2 4.12Å; I779-F788 HydrophobicContact CG2-CZ 3.98Å; I779-M824 HydrophobicContact CD1-CB 4.03Å; I779-M824 HydrophobicContact CD1-SD 3.82Å; I779-M824 HydrophobicContact CG2-CB 4.38Å; I779-I825 HydrophobicContact CG2-CG1 4.01Å |
| 780 | Q | 87.8 | Confident | 86.3 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 175.7 | -76.5 | 161.7 | 20.2 | 0 | 0 | 112.4 | E776 R777 I778 A784 K827 | E776-Q780 VanDerWaalsContact CG-NE2 3.27Å; E776-Q780 VanDerWaalsContact O-CD 3.26Å; E776-Q780 WeakPolarHBondContact O-CG 3.31Å; E776-Q780 PolarHBondContact O-N 3.21Å; E776-Q780 PolarHBondContact O-NE2 3.11Å; E776-Q780 PolarHBondContact OE1-NE2 3.31Å; R777-Q780 PolarHBondContact O-N 2.96Å; I778-Q780 VanDerWaalsContact C-N 3.3Å; I778-Q780 PolarHBondContact O-N 3.46Å; Q780-A784 WeakPolarHBondContact O-CB 3.45Å; Q780-A784 PolarHBondContact O-N 2.72Å; Q780-K827 VanDerWaalsContact NE2-CD 3.33Å |
| 781 | Q | 87.9 | Confident | 86.5 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.7 | -35.5 | 179.8 | -166.4 | 61.4 | 38.3 | 0 | 0 | 112.2 | I726 R777 I778 I779 A784 S785 | I726-Q781 HydrophobicContact CD1-CB 4.16Å; I726-Q781 HydrophobicContact CD1-CG 3.42Å; I726-Q781 VanDerWaalsContact CD1-CG 3.42Å; I726-Q781 HydrophobicContact CG1-CG 4.25Å; R777-Q781 PolarHBondContact O-N 3.43Å; I778-Q781 PolarHBondContact O-N 3.01Å; I779-Q781 VanDerWaalsContact C-N 3.3Å; I779-Q781 PolarHBondContact O-N 3.02Å; Q781-A784 PolarHBondContact O-N 3.33Å; Q781-S785 WeakPolarHBondContact O-CB 3.44Å; Q781-S785 PolarHBondContact O-N 2.91Å; Q781-S785 PolarHBondContact O-OG 2.88Å |
| 782 | L | 88.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 173.9 | -73.4 | 168.2 | 0 | 0 | 0 | 111.9 | I726 Q730 L734 I778 I779 S785 N786 Q787 F788 | I726-L782 HydrophobicContact CG2-CD2 3.47Å; I726-L782 VanDerWaalsContact CG2-CD2 3.47Å; I726-L782 HydrophobicContact CG2-CG 3.97Å; Q730-L782 HydrophobicContact CB-CD2 4.35Å; L734-L782 HydrophobicContact CD1-CD1 4.22Å; L734-L782 HydrophobicContact CD2-CD1 3.84Å; I778-L782 HydrophobicContact CG2-CD1 3.78Å; I778-L782 HydrophobicContact CG2-CG 4.33Å; I778-L782 WeakPolarHBondContact O-CG 3.47Å; I778-L782 PolarHBondContact O-N 3.07Å; I779-L782 PolarHBondContact O-N 3.13Å; L782-S785 CarbonylContact O-C 3.6Å; L782-S785 PolarHBondContact O-N 3.44Å; L782-S785 VanDerWaalsContact O-N 3.15Å; L782-N786 PolarHBondContact O-N 3.29Å; L782-Q787 HydrophobicContact CB-CB 4.46Å; L782-Q787 HydrophobicContact CD2-CB 4.14Å; L782-Q787 HydrophobicContact CD2-CG 4.38Å; L782-Q787 PolarHBondContact O-N 2.87Å; L782-F788 HydrophobicContact CB-CD2 3.74Å; L782-F788 HydrophobicContact CB-CE2 3.63Å; L782-F788 HydrophobicContact CD1-CE2 3.95Å; L782-F788 HydrophobicContact CG-CE2 4.45Å |
| 783 | I | 85.7 | Confident | 86.5 | Confident | 26 Ų | 26 | 44 Ų | 44 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 174.5 | -70.2 | 166 | 0 | 0 | 0 | 110.5 | I779 S785 N786 F788 I825 S828 | I779-I783 HydrophobicContact CG2-CD1 3.63Å; I779-I783 HydrophobicContact CG2-CG1 4.37Å; I779-I783 WeakPolarHBondContact O-CG1 3.48Å; I779-I783 PolarHBondContact O-N 3.5Å; I783-S785 PolarHBondContact O-N 3.08Å; I783-N786 PolarHBondContact O-N 3.23Å; I783-F788 HydrophobicContact CD1-CD2 4.47Å; I783-F788 HydrophobicContact CD1-CG 4.43Å; I783-F788 HydrophobicContact CG1-CB 3.78Å; I783-F788 HydrophobicContact CG1-CD1 4.44Å; I783-F788 HydrophobicContact CG1-CD2 3.6Å; I783-F788 HydrophobicContact CG1-CE2 4.28Å; I783-F788 HydrophobicContact CG1-CG 3.69Å; I783-I825 HydrophobicContact CD1-CB 4.09Å; I783-I825 HydrophobicContact CD1-CG1 4.11Å; I783-I825 HydrophobicContact CD1-CG2 3.88Å; I783-S828 WeakPolarHBondContact CD1-OG 3.32Å |
| 784 | A | 84.4 | Confident | 86.5 | Confident | 72 Ų | 72 | 43.3 Ų | 43.3 | 60% | 0.595 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.2 | -25.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q780 Q781 N786 | Q780-A784 WeakPolarHBondContact O-CB 3.45Å; Q780-A784 PolarHBondContact O-N 2.72Å; Q781-A784 PolarHBondContact O-N 3.33Å; A784-N786 VanDerWaalsContact C-N 3.33Å |
| 785 | S | 83.8 | Confident | 86.5 | Confident | 57 Ų | 57 | 44.6 Ų | 44.6 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.5 | 176.2 | -52.6 | 0 | 0 | 0 | 0 | 113.4 | Q781 L782 I783 Q787 | Q781-S785 WeakPolarHBondContact O-CB 3.44Å; Q781-S785 PolarHBondContact O-N 2.91Å; Q781-S785 PolarHBondContact O-OG 2.88Å; L782-S785 CarbonylContact O-C 3.6Å; L782-S785 PolarHBondContact O-N 3.44Å; L782-S785 VanDerWaalsContact O-N 3.15Å; I783-S785 PolarHBondContact O-N 3.08Å; S785-Q787 PolarHBondContact O-N 2.94Å |
| 786 | N | 78 | Confident | 86.6 | Confident | 144 Ų | 144 | 44.5 Ų | 44.5 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 31.1 | -175.9 | -63.3 | -36.8 | 0 | 0 | 0 | 114.3 | L782 I783 A784 | L782-N786 PolarHBondContact O-N 3.29Å; I783-N786 PolarHBondContact O-N 3.23Å; A784-N786 VanDerWaalsContact C-N 3.33Å |
| 787 | Q | 75.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 44 Ų | 44 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | trans | -90.4 | -5.6 | 178.2 | -64 | -71.7 | -13.3 | 0 | 0 | 113.1 | L782 S785 | L782-Q787 HydrophobicContact CB-CB 4.46Å; L782-Q787 HydrophobicContact CD2-CB 4.14Å; L782-Q787 HydrophobicContact CD2-CG 4.38Å; L782-Q787 PolarHBondContact O-N 2.87Å; S785-Q787 PolarHBondContact O-N 2.94Å | ||
| 788 | F | 78.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -99 | 106.7 | 174 | -93.8 | -99.6 | 0 | 0 | 0 | 110.1 | L734 I779 L782 I783 L792 I825 | L734-F788 HydrophobicContact CD2-CD2 4.19Å; L734-F788 HydrophobicContact CD2-CE1 4.47Å; L734-F788 HydrophobicContact CD2-CE2 3.55Å; L734-F788 HydrophobicContact CD2-CZ 3.72Å; I779-F788 HydrophobicContact CB-CZ 4.49Å; I779-F788 HydrophobicContact CG1-CE2 4.44Å; I779-F788 HydrophobicContact CG1-CZ 4.11Å; I779-F788 HydrophobicContact CG2-CE2 4.12Å; I779-F788 HydrophobicContact CG2-CZ 3.98Å; L782-F788 HydrophobicContact CB-CD2 3.74Å; L782-F788 HydrophobicContact CB-CE2 3.63Å; L782-F788 HydrophobicContact CD1-CE2 3.95Å; L782-F788 HydrophobicContact CG-CE2 4.45Å; I783-F788 HydrophobicContact CD1-CD2 4.47Å; I783-F788 HydrophobicContact CD1-CG 4.43Å; I783-F788 HydrophobicContact CG1-CB 3.78Å; I783-F788 HydrophobicContact CG1-CD1 4.44Å; I783-F788 HydrophobicContact CG1-CD2 3.6Å; I783-F788 HydrophobicContact CG1-CE2 4.28Å; I783-F788 HydrophobicContact CG1-CG 3.69Å; F788-L792 HydrophobicContact CD1-CD2 3.8Å; F788-L792 HydrophobicContact CE1-CD2 3.86Å; F788-I825 HydrophobicContact CD1-CD1 4.41Å; F788-I825 HydrophobicContact CE1-CD1 4.11Å; F788-I825 HydrophobicContact CE1-CG1 4.36Å |
| 789 | D | 78.4 | Confident | 87 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | trans | -68 | 146.7 | 178.1 | -67.3 | -22.4 | 0 | 0 | 0 | 112.3 | T747 L748 T791 L792 I793 | T747-D789 VanDerWaalsContact CA-OD2 3.29Å; T747-D789 WeakPolarHBondContact CA-OD2 3.47Å; L748-D789 PolarHBondContact N-OD2 2.68Å; L748-D789 VanDerWaalsContact N-OD2 3.09Å; D789-T791 PolarHBondContact O-N 3.07Å; D789-L792 PolarHBondContact O-N 3.39Å; D789-L792 VanDerWaalsContact O-N 3.08Å; D789-I793 PolarHBondContact O-N 3.49Å | ||
| 790 | S | 82.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 56% | 0.559 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.2 | -34.1 | 171.4 | -172.3 | 0 | 0 | 0 | 0 | 112 | I793 D794 | S790-I793 PolarHBondContact O-N 2.66Å; S790-D794 WeakPolarHBondContact O-CB 3.14Å; S790-D794 PolarHBondContact O-N 3.08Å |
| 791 | T | 86.6 | Confident | 87.5 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 31% | 0.307 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.5 | 9.4 | 0 | 0 | 0 | 0 | 112.6 | D789 H795 | D789-T791 PolarHBondContact O-N 3.07Å; T791-H795 WeakPolarHBondContact O-CB 3.31Å; T791-H795 PolarHBondContact O-N 3.49Å |
| 792 | L | 90.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.7 | 177.2 | 60.1 | 0 | 0 | 0 | 110.7 | L748 A753 V756 F788 D789 D794 H795 L796 | L748-L792 HydrophobicContact CD1-CB 4.35Å; L748-L792 HydrophobicContact CD1-CD2 4.36Å; A753-L792 HydrophobicContact CB-CD1 4.18Å; V756-L792 HydrophobicContact CB-CD1 4.12Å; V756-L792 HydrophobicContact CG1-CD1 3.82Å; V756-L792 HydrophobicContact CG1-CD2 3.98Å; F788-L792 HydrophobicContact CD1-CD2 3.8Å; F788-L792 HydrophobicContact CE1-CD2 3.86Å; D789-L792 PolarHBondContact O-N 3.39Å; D789-L792 VanDerWaalsContact O-N 3.08Å; L792-D794 PolarHBondContact O-N 2.79Å; L792-H795 PolarHBondContact O-N 3.07Å; L792-L796 HydrophobicContact CD1-CD1 4.49Å; L792-L796 HydrophobicContact CD1-CG 4.34Å; L792-L796 HydrophobicContact CG-CD1 4.28Å; L792-L796 WeakPolarHBondContact O-CG 3.28Å; L792-L796 PolarHBondContact O-N 3.46Å |
| 793 | I | 88.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 178.2 | -62.6 | 172.4 | 0 | 0 | 0 | 110.5 | D789 S790 H795 L796 W797 I825 | D789-I793 PolarHBondContact O-N 3.49Å; S790-I793 PolarHBondContact O-N 2.66Å; I793-H795 VanDerWaalsContact C-N 3.31Å; I793-H795 PolarHBondContact O-N 3.14Å; I793-L796 PolarHBondContact O-N 3.3Å; I793-W797 PolarHBondContact O-N 2.82Å; I793-I825 HydrophobicContact CD1-CG2 4.41Å; I793-I825 HydrophobicContact CG1-CG2 4.44Å |
| 794 | D | 90 | Very high | 88.1 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.3 | -74.3 | -32.7 | 0 | 0 | 0 | 111.6 | S790 L792 W797 Q798 R835 | S790-D794 WeakPolarHBondContact O-CB 3.14Å; S790-D794 PolarHBondContact O-N 3.08Å; L792-D794 PolarHBondContact O-N 2.79Å; D794-W797 PolarHBondContact O-N 3.12Å; D794-Q798 WeakPolarHBondContact O-CG 3.31Å; D794-Q798 PolarHBondContact O-N 3.12Å; D794-Q798 VanDerWaalsContact O-N 3.07Å; D794-R835 IonicContact OD1-CZ 3.08Å; D794-R835 IonicContact OD1-NH1 2.8Å; D794-R835 PolarHBondContact OD1-NH1 2.68Å; D794-R835 IonicContact OD1-NH2 3.94Å; D794-R835 PolarHBondContact OD1-NH2 2.88Å; D794-R835 IonicContact OD2-NH2 2.7Å |
| 795 | H | 93.2 | Very high | 88.3 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 177.7 | -166.7 | 75.4 | 0 | 0 | 0 | 112.8 | A753 D754 T791 L792 I793 W797 Q798 R799 | A753-H795 HydrophobicContact CB-CB 3.84Å; D754-H795 VanDerWaalsContact CA-NE2 3.33Å; D754-H795 WeakPolarHBondContact CA-NE2 3.45Å; D754-H795 WeakPolarHBondContact CB-NE2 3.2Å; D754-H795 IonicContact OD1-CE1 3.68Å; D754-H795 IonicContact OD1-NE2 3.97Å; D754-H795 PolarHBondContact OD1-NE2 3Å; D754-H795 VanDerWaalsContact OD1-NE2 3.08Å; T791-H795 WeakPolarHBondContact O-CB 3.31Å; T791-H795 PolarHBondContact O-N 3.49Å; L792-H795 PolarHBondContact O-N 3.07Å; I793-H795 VanDerWaalsContact C-N 3.31Å; I793-H795 PolarHBondContact O-N 3.14Å; H795-W797 VanDerWaalsContact C-N 3.28Å; H795-W797 PolarHBondContact O-N 3.35Å; H795-Q798 PolarHBondContact O-N 3.49Å; H795-Q798 VanDerWaalsContact O-N 3.12Å; H795-R799 WeakPolarHBondContact O-CB 3.45Å; H795-R799 PolarHBondContact O-N 2.87Å |
| 796 | L | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.9 | -70.5 | 168.5 | 0 | 0 | 0 | 111.9 | A757 L792 I793 R799 F800 M818 I821 I825 | A757-L796 HydrophobicContact CB-CD2 3.76Å; L792-L796 HydrophobicContact CD1-CD1 4.49Å; L792-L796 HydrophobicContact CD1-CG 4.34Å; L792-L796 HydrophobicContact CG-CD1 4.28Å; L792-L796 WeakPolarHBondContact O-CG 3.28Å; L792-L796 PolarHBondContact O-N 3.46Å; I793-L796 PolarHBondContact O-N 3.3Å; L796-R799 PolarHBondContact O-N 2.83Å; L796-F800 PolarHBondContact O-N 3.44Å; L796-M818 HydrophobicContact CD2-SD 3.67Å; L796-I821 HydrophobicContact CD1-CG2 3.84Å; L796-I821 HydrophobicContact CD2-CD1 4.41Å; L796-I821 HydrophobicContact CD2-CG2 4.27Å; L796-I825 HydrophobicContact CD1-CD1 3.39Å |
| 797 | W | 93.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 173 | -78.3 | 108.1 | 0 | 0 | 0 | 112.6 | I793 D794 H795 R799 F800 I801 I822 H836 T839 L840 V865 | I793-W797 PolarHBondContact O-N 2.82Å; D794-W797 PolarHBondContact O-N 3.12Å; H795-W797 VanDerWaalsContact C-N 3.28Å; H795-W797 PolarHBondContact O-N 3.35Å; W797-R799 VanDerWaalsContact C-N 3.35Å; W797-F800 HydrophobicContact CE3-CD1 4.35Å; W797-F800 PolarHBondContact O-N 3.35Å; W797-I801 WeakPolarHBondContact O-CG1 2.79Å; W797-I801 PolarHBondContact O-N 3.01Å; W797-I822 HydrophobicContact CD2-CD1 3.94Å; W797-I822 HydrophobicContact CE3-CD1 3.89Å; W797-I822 HydrophobicContact CG-CD1 4.49Å; W797-I822 HydrophobicContact CH2-CD1 4.43Å; W797-I822 HydrophobicContact CH2-CG2 3.68Å; W797-I822 HydrophobicContact CZ2-CD1 4.47Å; W797-I822 HydrophobicContact CZ2-CG2 3.44Å; W797-I822 VanDerWaalsContact CZ2-CG2 3.44Å; W797-I822 HydrophobicContact CZ3-CD1 4.14Å; W797-I822 HydrophobicContact CZ3-CG2 4.42Å; W797-H836 AromaticContact CD1-CE1 3.53Å; W797-H836 AromaticContact CD1-NE2 3.79Å; W797-H836 AromaticContact CD2-CE1 3.61Å; W797-H836 AromaticContact CD2-CG 3.9Å; W797-H836 AromaticContact CD2-ND1 3.45Å; W797-H836 AromaticContact CE2-CD2 3.67Å; W797-H836 AromaticContact CE2-CE1 3.65Å; W797-H836 AromaticContact CE2-CG 3.62Å; W797-H836 AromaticContact CE2-ND1 3.63Å; W797-H836 AromaticContact CE2-NE2 3.71Å; W797-H836 HydrophobicContact CE3-CB 4.3Å; W797-H836 AromaticContact CE3-ND1 3.7Å; W797-H836 AromaticContact CG-CE1 3.55Å; W797-H836 AromaticContact CG-ND1 3.84Å; W797-H836 HydrophobicContact CH2-CB 3.52Å; W797-H836 AromaticContact CH2-CG 3.79Å; W797-H836 HydrophobicContact CZ2-CB 3.8Å; W797-H836 AromaticContact CZ2-CD2 3.69Å; W797-H836 AromaticContact CZ2-CG 3.57Å; W797-H836 HydrophobicContact CZ3-CB 3.8Å; W797-H836 AromaticContact NE1-CD2 3.84Å; W797-H836 AromaticContact NE1-CE1 3.59Å; W797-H836 AromaticContact NE1-NE2 3.47Å; W797-H836 PolarHBondContact NE1-NE2 3.45Å; W797-T839 HydrophobicContact CE3-CG2 4.39Å; W797-L840 HydrophobicContact CH2-CD1 4.12Å; W797-L840 HydrophobicContact CH2-CD2 4.04Å; W797-L840 HydrophobicContact CH2-CG 4.11Å; W797-L840 HydrophobicContact CZ3-CD1 4.5Å; W797-L840 HydrophobicContact CZ3-CD2 3.81Å; W797-L840 HydrophobicContact CZ3-CG 3.99Å; W797-V865 HydrophobicContact CH2-CG1 4.41Å |
| 798 | Q | 94.3 | Very high | 88.8 | Confident | 119 Ų | 119 | 47.7 Ų | 47.7 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.7 | -41.3 | 176.1 | -67.6 | -57.7 | -34.8 | 0 | 0 | 111.7 | D794 H795 I801 Q802 | D794-Q798 WeakPolarHBondContact O-CG 3.31Å; D794-Q798 PolarHBondContact O-N 3.12Å; D794-Q798 VanDerWaalsContact O-N 3.07Å; H795-Q798 PolarHBondContact O-N 3.49Å; H795-Q798 VanDerWaalsContact O-N 3.12Å; Q798-I801 WeakPolarHBondContact O-CB 3.4Å; Q798-I801 PolarHBondContact O-N 3.46Å; Q798-Q802 WeakPolarHBondContact O-CB 3.49Å; Q798-Q802 PolarHBondContact O-N 2.9Å |
| 799 | R | 94.9 | Very high | 89 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 176.5 | -172.6 | 170.6 | 175.7 | 151.4 | -11.1 | 112.2 | D754 T758 H795 L796 W797 Q802 S803 D814 M818 | D754-R799 PolarHBondContact O-NH1 3.26Å; D754-R799 VanDerWaalsContact O-NH1 3.12Å; D754-R799 IonicContact OD1-NH1 3.53Å; D754-R799 PolarHBondContact OD1-NH1 3.47Å; D754-R799 VanDerWaalsContact OD1-NH1 3.16Å; T758-R799 VanDerWaalsContact N-NH1 3.18Å; T758-R799 PolarHBondContact OG1-NH1 3Å; T758-R799 PolarHBondContact OG1-NH2 3.5Å; H795-R799 WeakPolarHBondContact O-CB 3.45Å; H795-R799 PolarHBondContact O-N 2.87Å; L796-R799 PolarHBondContact O-N 2.83Å; W797-R799 VanDerWaalsContact C-N 3.35Å; R799-Q802 PolarHBondContact O-N 3.43Å; R799-S803 VanDerWaalsContact O-CB 3.29Å; R799-S803 WeakPolarHBondContact O-CB 3.49Å; R799-S803 PolarHBondContact O-N 3.23Å; R799-S803 PolarHBondContact O-OG 3.5Å; R799-D814 IonicContact CZ-OD1 3.46Å; R799-D814 IonicContact CZ-OD2 2.97Å; R799-D814 IonicContact NE-OD1 3.17Å; R799-D814 PolarHBondContact NE-OD1 3.4Å; R799-D814 IonicContact NE-OD2 3.84Å; R799-D814 PolarHBondContact NE-OD2 3.35Å; R799-D814 IonicContact NH2-OD1 3.33Å; R799-D814 PolarHBondContact NH2-OD1 2.93Å; R799-D814 IonicContact NH2-OD2 2.79Å; R799-M818 HydrophobicContact CB-CG 4.38Å; R799-M818 HydrophobicContact CB-SD 4.22Å; R799-M818 HydrophobicContact CG-CG 4.11Å; R799-M818 HydrophobicContact CG-SD 4.07Å |
| 800 | F | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 170.5 | 170 | -115 | 0 | 0 | 0 | 112.1 | L796 W797 Q802 S803 A804 A815 M818 L819 I822 T839 L840 H843 | L796-F800 PolarHBondContact O-N 3.44Å; W797-F800 HydrophobicContact CE3-CD1 4.35Å; W797-F800 PolarHBondContact O-N 3.35Å; F800-Q802 PolarHBondContact O-N 3.23Å; F800-S803 WeakPolarHBondContact CA-OG 3.36Å; F800-S803 PolarHBondContact O-N 3.45Å; F800-S803 PolarHBondContact O-OG 3.41Å; F800-S803 VanDerWaalsContact O-OG 3.04Å; F800-A804 HydrophobicContact CE2-CB 4.17Å; F800-A804 HydrophobicContact CZ-CB 4.43Å; F800-A804 WeakPolarHBondContact O-CB 3.36Å; F800-A804 PolarHBondContact O-N 2.93Å; F800-A815 HydrophobicContact CD2-CB 4.27Å; F800-A815 HydrophobicContact CE2-CB 4.38Å; F800-M818 HydrophobicContact CB-CB 3.86Å; F800-M818 HydrophobicContact CB-CG 4.45Å; F800-M818 HydrophobicContact CD2-CB 4.43Å; F800-L819 HydrophobicContact CD2-CD1 4.46Å; F800-L819 HydrophobicContact CD2-CD2 4.09Å; F800-L819 HydrophobicContact CD2-CG 3.82Å; F800-L819 HydrophobicContact CE1-CD2 4.2Å; F800-L819 HydrophobicContact CE2-CD1 3.67Å; F800-L819 HydrophobicContact CE2-CD2 3.64Å; F800-L819 HydrophobicContact CE2-CG 3.44Å; F800-L819 VanDerWaalsContact CE2-CG 3.44Å; F800-L819 HydrophobicContact CZ-CD1 4.18Å; F800-L819 HydrophobicContact CZ-CD2 3.7Å; F800-L819 HydrophobicContact CZ-CG 4.02Å; F800-I822 HydrophobicContact CB-CD1 4.14Å; F800-I822 HydrophobicContact CG-CD1 4.5Å; F800-T839 HydrophobicContact CD1-CG2 4.42Å; F800-T839 HydrophobicContact CE1-CG2 4.4Å; F800-L840 HydrophobicContact CE1-CD2 4.27Å; F800-H843 HydrophobicContact CE1-CB 3.89Å; F800-H843 HydrophobicContact CZ-CB 4.02Å |
| 801 | I | 94.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 178.9 | -68.8 | 164.8 | 0 | 0 | 0 | 111 | W797 Q798 S805 T839 | W797-I801 WeakPolarHBondContact O-CG1 2.79Å; W797-I801 PolarHBondContact O-N 3.01Å; Q798-I801 WeakPolarHBondContact O-CB 3.4Å; Q798-I801 PolarHBondContact O-N 3.46Å; I801-S805 WeakPolarHBondContact O-CB 3.48Å; I801-S805 PolarHBondContact O-N 3.46Å; I801-S805 PolarHBondContact O-OG 2.84Å; I801-T839 HydrophobicContact CD1-CG2 3.68Å; I801-T839 HydrophobicContact CG1-CG2 3.52Å |
| 802 | Q | 92.8 | Very high | 89.7 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | -179.5 | -178.5 | 177.7 | -4.7 | 0 | 0 | 111.6 | Q798 R799 F800 S805 R806 | Q798-Q802 WeakPolarHBondContact O-CB 3.49Å; Q798-Q802 PolarHBondContact O-N 2.9Å; R799-Q802 PolarHBondContact O-N 3.43Å; F800-Q802 PolarHBondContact O-N 3.23Å; Q802-S805 PolarHBondContact O-N 3.28Å; Q802-R806 VanDerWaalsContact NE2-NH2 3.12Å |
| 803 | S | 91.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -37.3 | -177.8 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | R799 F800 S805 R806 S811 A815 | R799-S803 VanDerWaalsContact O-CB 3.29Å; R799-S803 WeakPolarHBondContact O-CB 3.49Å; R799-S803 PolarHBondContact O-N 3.23Å; R799-S803 PolarHBondContact O-OG 3.5Å; F800-S803 WeakPolarHBondContact CA-OG 3.36Å; F800-S803 PolarHBondContact O-N 3.45Å; F800-S803 PolarHBondContact O-OG 3.41Å; F800-S803 VanDerWaalsContact O-OG 3.04Å; S803-S805 PolarHBondContact O-N 3.41Å; S803-R806 PolarHBondContact O-N 2.92Å; S803-S811 VanDerWaalsContact C-OG 3.23Å; S803-S811 WeakPolarHBondContact CA-OG 3.22Å; S803-S811 WeakPolarHBondContact CB-O 3.32Å; S803-S811 PolarHBondContact O-OG 3.41Å; S803-A815 VanDerWaalsContact OG-CA 3.27Å; S803-A815 WeakPolarHBondContact OG-CA 3.47Å; S803-A815 WeakPolarHBondContact OG-CB 3.46Å |
| 804 | A | 90.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68 | -23.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F800 R806 A815 H843 R858 | F800-A804 HydrophobicContact CE2-CB 4.17Å; F800-A804 HydrophobicContact CZ-CB 4.43Å; F800-A804 WeakPolarHBondContact O-CB 3.36Å; F800-A804 PolarHBondContact O-N 2.93Å; A804-R806 VanDerWaalsContact C-N 3.34Å; A804-A815 HydrophobicContact CB-CB 4.33Å; A804-H843 HydrophobicContact CB-CB 3.79Å; A804-R858 PolarHBondContact O-NH1 2.89Å |
| 805 | S | 87.5 | Confident | 90.1 | Very high | 50 Ų | 50 | 53 Ų | 53 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.2 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | I801 Q802 S803 H843 L848 | I801-S805 WeakPolarHBondContact O-CB 3.48Å; I801-S805 PolarHBondContact O-N 3.46Å; I801-S805 PolarHBondContact O-OG 2.84Å; Q802-S805 PolarHBondContact O-N 3.28Å; S803-S805 PolarHBondContact O-N 3.41Å; S805-H843 PolarHBondContact OG-ND1 3.47Å; S805-L848 WeakPolarHBondContact O-CD2 3.36Å |
| 806 | R | 86.6 | Confident | 90.2 | Very high | 134 Ų | 134 | 52.8 Ų | 52.8 | 51% | 0.506 | 26% | 0.264 | S | S | . | . | trans | -111.3 | 158.3 | 178.2 | -58.2 | 174.8 | 175.1 | -175.7 | -2.2 | 110.9 | Q802 S803 A804 D808 | Q802-R806 VanDerWaalsContact NE2-NH2 3.12Å; S803-R806 PolarHBondContact O-N 2.92Å; A804-R806 VanDerWaalsContact C-N 3.34Å; R806-D808 VanDerWaalsContact CB-OD1 3.24Å; R806-D808 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 807 | T | 76.4 | Confident | 90.2 | Very high | 114 Ų | 114 | 53.1 Ų | 53.1 | 70% | 0.699 | 27% | 0.267 | S | S | * | . | trans | -101.8 | -5.2 | -174 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | L848 | T807-L848 HydrophobicContact CG2-CD2 3.42Å; T807-L848 VanDerWaalsContact CG2-CD2 3.42Å | ||
| 808 | D | 84.7 | Confident | 90.4 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -71.5 | 149.7 | 179.3 | 61 | -74.3 | 0 | 0 | 0 | 111.7 | R806 D810 S811 S812 | R806-D808 VanDerWaalsContact CB-OD1 3.24Å; R806-D808 WeakPolarHBondContact CB-OD1 3.47Å; D808-D810 VanDerWaalsContact C-N 3.33Å; D808-D810 PolarHBondContact O-N 3.26Å; D808-S811 PolarHBondContact O-N 3.44Å; D808-S811 WeakPolarHBondContact OD1-CB 3.22Å; D808-S811 WeakPolarHBondContact OD2-CB 3.24Å; D808-S811 PolarHBondContact OD2-N 3.42Å; D808-S812 PolarHBondContact O-N 2.94Å |
| 809 | K | 82.6 | Confident | 90.4 | Very high | 163 Ų | 163 | 46.9 Ų | 46.9 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.7 | -43.4 | -175.9 | -173 | -179 | 175.2 | -172.3 | 0 | 111.2 | S811 S812 D813 | K809-S811 PolarHBondContact O-N 3.26Å; K809-S812 WeakPolarHBondContact O-CB 3.18Å; K809-S812 PolarHBondContact O-N 3.38Å; K809-S812 VanDerWaalsContact O-N 3.09Å; K809-D813 PolarHBondContact O-N 3.49Å |
| 810 | D | 86.5 | Confident | 90.4 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 67% | 0.674 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.8 | -43.2 | -179.1 | -59.4 | -26.6 | 0 | 0 | 0 | 111.3 | D808 S812 D813 D814 | D808-D810 VanDerWaalsContact C-N 3.33Å; D808-D810 PolarHBondContact O-N 3.26Å; D810-S812 VanDerWaalsContact C-N 3.32Å; D810-S812 PolarHBondContact O-N 2.88Å; D810-D813 PolarHBondContact O-N 3.27Å; D810-D814 WeakPolarHBondContact O-CB 3.4Å; D810-D814 PolarHBondContact O-N 3.41Å |
| 811 | S | 88.5 | Confident | 90.2 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 173.7 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | S803 D808 K809 A815 | S803-S811 VanDerWaalsContact C-OG 3.23Å; S803-S811 WeakPolarHBondContact CA-OG 3.22Å; S803-S811 WeakPolarHBondContact CB-O 3.32Å; S803-S811 PolarHBondContact O-OG 3.41Å; D808-S811 PolarHBondContact O-N 3.44Å; D808-S811 WeakPolarHBondContact OD1-CB 3.22Å; D808-S811 WeakPolarHBondContact OD2-CB 3.24Å; D808-S811 PolarHBondContact OD2-N 3.42Å; K809-S811 PolarHBondContact O-N 3.26Å; S811-A815 WeakPolarHBondContact O-CB 3.34Å; S811-A815 PolarHBondContact O-N 3.02Å |
| 812 | S | 88.2 | Confident | 90.2 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 173.7 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | D808 K809 D810 A815 K816 D855 R858 | D808-S812 PolarHBondContact O-N 2.94Å; K809-S812 WeakPolarHBondContact O-CB 3.18Å; K809-S812 PolarHBondContact O-N 3.38Å; K809-S812 VanDerWaalsContact O-N 3.09Å; D810-S812 VanDerWaalsContact C-N 3.32Å; D810-S812 PolarHBondContact O-N 2.88Å; S812-A815 PolarHBondContact O-N 3.02Å; S812-K816 WeakPolarHBondContact O-CG 3.41Å; S812-K816 PolarHBondContact O-N 3.39Å; S812-D855 PolarHBondContact OG-OD2 3Å; S812-R858 PolarHBondContact OG-NH2 2.94Å |
| 813 | D | 90.2 | Very high | 90.1 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.1 | -37.3 | 177.9 | -68 | -25 | 0 | 0 | 0 | 111.3 | K809 D810 A815 K816 S817 | K809-D813 PolarHBondContact O-N 3.49Å; D810-D813 PolarHBondContact O-N 3.27Å; D813-A815 VanDerWaalsContact C-N 3.34Å; D813-A815 PolarHBondContact O-N 2.94Å; D813-K816 WeakPolarHBondContact O-CB 3.4Å; D813-K816 PolarHBondContact O-N 3.19Å; D813-K816 IonicContact OD1-NZ 2.7Å; D813-K816 PolarHBondContact OD1-NZ 3.04Å; D813-S817 PolarHBondContact O-N 3.34Å; D813-S817 PolarHBondContact O-OG 2.68Å |
| 814 | D | 93.4 | Very high | 90.1 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 171.5 | -167.6 | 64.5 | 0 | 0 | 0 | 111.3 | S761 R799 D810 K816 S817 M818 | S761-D814 VanDerWaalsContact CB-OD1 3.31Å; S761-D814 WeakPolarHBondContact CB-OD1 3.5Å; S761-D814 PolarHBondContact OG-OD1 2.95Å; R799-D814 IonicContact CZ-OD1 3.46Å; R799-D814 IonicContact CZ-OD2 2.97Å; R799-D814 IonicContact NE-OD1 3.17Å; R799-D814 PolarHBondContact NE-OD1 3.4Å; R799-D814 IonicContact NE-OD2 3.84Å; R799-D814 PolarHBondContact NE-OD2 3.35Å; R799-D814 IonicContact NH2-OD1 3.33Å; R799-D814 PolarHBondContact NH2-OD1 2.93Å; R799-D814 IonicContact NH2-OD2 2.79Å; D810-D814 WeakPolarHBondContact O-CB 3.4Å; D810-D814 PolarHBondContact O-N 3.41Å; D814-K816 VanDerWaalsContact C-N 3.31Å; D814-K816 PolarHBondContact O-N 3.39Å; D814-S817 WeakPolarHBondContact O-CB 3.38Å; D814-S817 PolarHBondContact O-N 2.88Å; D814-M818 VanDerWaalsContact O-CG 3.31Å; D814-M818 WeakPolarHBondContact O-CG 3.46Å; D814-M818 PolarHBondContact O-N 3.26Å |
| 815 | A | 94 | Very high | 90 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F800 S803 A804 S811 S812 D813 L819 | F800-A815 HydrophobicContact CD2-CB 4.27Å; F800-A815 HydrophobicContact CE2-CB 4.38Å; S803-A815 VanDerWaalsContact OG-CA 3.27Å; S803-A815 WeakPolarHBondContact OG-CA 3.47Å; S803-A815 WeakPolarHBondContact OG-CB 3.46Å; A804-A815 HydrophobicContact CB-CB 4.33Å; S811-A815 WeakPolarHBondContact O-CB 3.34Å; S811-A815 PolarHBondContact O-N 3.02Å; S812-A815 PolarHBondContact O-N 3.02Å; D813-A815 VanDerWaalsContact C-N 3.34Å; D813-A815 PolarHBondContact O-N 2.94Å; A815-L819 WeakPolarHBondContact O-CG 3.47Å; A815-L819 PolarHBondContact O-N 3.21Å |
| 816 | K | 94.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -42.8 | 175.4 | -67.2 | 170.9 | -170.1 | 176.2 | 0 | 111.6 | S812 D813 D814 M818 L819 L820 D855 E857 F861 | S812-K816 WeakPolarHBondContact O-CG 3.41Å; S812-K816 PolarHBondContact O-N 3.39Å; D813-K816 WeakPolarHBondContact O-CB 3.4Å; D813-K816 PolarHBondContact O-N 3.19Å; D813-K816 IonicContact OD1-NZ 2.7Å; D813-K816 PolarHBondContact OD1-NZ 3.04Å; D814-K816 VanDerWaalsContact C-N 3.31Å; D814-K816 PolarHBondContact O-N 3.39Å; K816-M818 VanDerWaalsContact C-N 3.34Å; K816-M818 PolarHBondContact O-N 2.92Å; K816-L819 WeakPolarHBondContact O-CB 3.41Å; K816-L819 PolarHBondContact O-N 2.62Å; K816-L820 PolarHBondContact O-N 3.5Å; K816-D855 WeakPolarHBondContact CE-OD2 3.34Å; K816-D855 IonicContact NZ-OD2 2.62Å; K816-E857 HydrophobicContact CD-CG 4.25Å; K816-E857 WeakPolarHBondContact CD-OE2 3.24Å; K816-E857 WeakPolarHBondContact CE-OE2 3.48Å; K816-E857 IonicContact NZ-OE2 3.97Å; K816-E857 PolarHBondContact NZ-OE2 3.37Å; K816-F861 HydrophobicContact CB-CD2 4.07Å; K816-F861 HydrophobicContact CB-CE2 4.09Å; K816-F861 HydrophobicContact CG-CD2 4.31Å; K816-F861 HydrophobicContact CG-CE2 4.42Å |
| 817 | S | 94.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 173.9 | -67.2 | 0 | 0 | 0 | 0 | 111 | S761 D813 D814 L819 L820 I821 | S761-S817 WeakPolarHBondContact OG-CB 3.49Å; D813-S817 PolarHBondContact O-N 3.34Å; D813-S817 PolarHBondContact O-OG 2.68Å; D814-S817 WeakPolarHBondContact O-CB 3.38Å; D814-S817 PolarHBondContact O-N 2.88Å; S817-L819 VanDerWaalsContact C-N 3.34Å; S817-L819 PolarHBondContact O-N 3.26Å; S817-L820 PolarHBondContact O-N 3.16Å; S817-L820 VanDerWaalsContact O-N 3.12Å; S817-I821 WeakPolarHBondContact O-CG1 3.48Å; S817-I821 PolarHBondContact O-N 3.1Å |
| 818 | M | 96.3 | Very high | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 176 | -67.3 | -54.9 | 108.3 | 0 | 0 | 112 | L796 R799 F800 D814 K816 L820 I821 I822 | L796-M818 HydrophobicContact CD2-SD 3.67Å; R799-M818 HydrophobicContact CB-CG 4.38Å; R799-M818 HydrophobicContact CB-SD 4.22Å; R799-M818 HydrophobicContact CG-CG 4.11Å; R799-M818 HydrophobicContact CG-SD 4.07Å; F800-M818 HydrophobicContact CB-CB 3.86Å; F800-M818 HydrophobicContact CB-CG 4.45Å; F800-M818 HydrophobicContact CD2-CB 4.43Å; D814-M818 VanDerWaalsContact O-CG 3.31Å; D814-M818 WeakPolarHBondContact O-CG 3.46Å; D814-M818 PolarHBondContact O-N 3.26Å; K816-M818 VanDerWaalsContact C-N 3.34Å; K816-M818 PolarHBondContact O-N 2.92Å; M818-L820 VanDerWaalsContact C-N 3.32Å; M818-L820 PolarHBondContact O-N 3.26Å; M818-I821 HydrophobicContact CE-CD1 3.51Å; M818-I821 PolarHBondContact O-N 3.34Å; M818-I821 HydrophobicContact SD-CD1 4.15Å; M818-I822 WeakPolarHBondContact O-CB 3.23Å; M818-I822 WeakPolarHBondContact O-CD1 3.48Å; M818-I822 WeakPolarHBondContact O-CG1 3.19Å; M818-I822 PolarHBondContact O-N 3.02Å |
| 819 | L | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 175 | -76.1 | 171.2 | 0 | 0 | 0 | 112.6 | F800 A815 K816 S817 K823 L840 R858 F861 V865 | F800-L819 HydrophobicContact CD2-CD1 4.46Å; F800-L819 HydrophobicContact CD2-CD2 4.09Å; F800-L819 HydrophobicContact CD2-CG 3.82Å; F800-L819 HydrophobicContact CE1-CD2 4.2Å; F800-L819 HydrophobicContact CE2-CD1 3.67Å; F800-L819 HydrophobicContact CE2-CD2 3.64Å; F800-L819 HydrophobicContact CE2-CG 3.44Å; F800-L819 VanDerWaalsContact CE2-CG 3.44Å; F800-L819 HydrophobicContact CZ-CD1 4.18Å; F800-L819 HydrophobicContact CZ-CD2 3.7Å; F800-L819 HydrophobicContact CZ-CG 4.02Å; A815-L819 WeakPolarHBondContact O-CG 3.47Å; A815-L819 PolarHBondContact O-N 3.21Å; K816-L819 WeakPolarHBondContact O-CB 3.41Å; K816-L819 PolarHBondContact O-N 2.62Å; S817-L819 VanDerWaalsContact C-N 3.34Å; S817-L819 PolarHBondContact O-N 3.26Å; L819-K823 VanDerWaalsContact O-CB 3.28Å; L819-K823 WeakPolarHBondContact O-CB 3.34Å; L819-K823 PolarHBondContact O-N 3.15Å; L819-L840 HydrophobicContact CD2-CD2 3.85Å; L819-R858 HydrophobicContact CD1-CG 3.87Å; L819-F861 HydrophobicContact CB-CB 3.98Å; L819-F861 HydrophobicContact CD1-CB 4.09Å; L819-V865 HydrophobicContact CD2-CG2 4.22Å; L819-V865 VanDerWaalsContact O-CG2 3.32Å; L819-V865 WeakPolarHBondContact O-CG2 3.38Å |
| 820 | L | 94.1 | Very high | 86.5 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.2 | -72.7 | 175.5 | 0 | 0 | 0 | 112 | I764 K816 S817 M818 K823 M824 F861 | I764-L820 HydrophobicContact CD1-CB 3.87Å; I764-L820 HydrophobicContact CG2-CD1 3.78Å; K816-L820 PolarHBondContact O-N 3.5Å; S817-L820 PolarHBondContact O-N 3.16Å; S817-L820 VanDerWaalsContact O-N 3.12Å; M818-L820 VanDerWaalsContact C-N 3.32Å; M818-L820 PolarHBondContact O-N 3.26Å; L820-K823 HydrophobicContact CD2-CD 4.19Å; L820-K823 WeakPolarHBondContact O-CB 3.39Å; L820-K823 PolarHBondContact O-N 3.4Å; L820-M824 VanDerWaalsContact O-CG 3.3Å; L820-M824 WeakPolarHBondContact O-CG 3.13Å; L820-M824 PolarHBondContact O-N 2.79Å; L820-F861 HydrophobicContact CD1-CE2 4Å; L820-F861 HydrophobicContact CD1-CZ 4.02Å; L820-F861 HydrophobicContact CD2-CD1 3.75Å; L820-F861 HydrophobicContact CD2-CD2 4.33Å; L820-F861 HydrophobicContact CD2-CE1 3.74Å; L820-F861 HydrophobicContact CD2-CE2 4.31Å; L820-F861 HydrophobicContact CD2-CG 4.08Å; L820-F861 HydrophobicContact CD2-CZ 4.04Å; L820-F861 HydrophobicContact CG-CD1 4.45Å; L820-F861 HydrophobicContact CG-CD2 4.15Å; L820-F861 HydrophobicContact CG-CE1 4.41Å; L820-F861 HydrophobicContact CG-CE2 4.1Å; L820-F861 HydrophobicContact CG-CG 4.35Å; L820-F861 HydrophobicContact CG-CZ 4.25Å |
| 821 | I | 92.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 173.7 | -61.4 | 163.5 | 0 | 0 | 0 | 109.9 | L760 I764 L796 S817 M818 K823 M824 I825 | L760-I821 HydrophobicContact CB-CD1 3.47Å; L760-I821 VanDerWaalsContact CB-CD1 3.47Å; L760-I821 HydrophobicContact CB-CG1 4.24Å; L760-I821 HydrophobicContact CD1-CD1 4.32Å; L760-I821 HydrophobicContact CD1-CG2 4.25Å; I764-I821 HydrophobicContact CD1-CD1 4.13Å; I764-I821 HydrophobicContact CD1-CG1 3.39Å; L796-I821 HydrophobicContact CD1-CG2 3.84Å; L796-I821 HydrophobicContact CD2-CD1 4.41Å; L796-I821 HydrophobicContact CD2-CG2 4.27Å; S817-I821 WeakPolarHBondContact O-CG1 3.48Å; S817-I821 PolarHBondContact O-N 3.1Å; M818-I821 HydrophobicContact CE-CD1 3.51Å; M818-I821 PolarHBondContact O-N 3.34Å; M818-I821 HydrophobicContact SD-CD1 4.15Å; I821-K823 VanDerWaalsContact C-N 3.29Å; I821-K823 PolarHBondContact O-N 3.26Å; I821-M824 WeakPolarHBondContact O-CA 3.41Å; I821-M824 WeakPolarHBondContact O-CB 3.4Å; I821-M824 PolarHBondContact O-N 3.19Å; I821-I825 HydrophobicContact CG2-CD1 3.79Å; I821-I825 HydrophobicContact CG2-CG1 4.37Å; I821-I825 WeakPolarHBondContact O-CG1 3.47Å; I821-I825 PolarHBondContact O-N 3.4Å |
| 822 | I | 93.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 178 | -70.3 | 165 | 0 | 0 | 0 | 110.5 | W797 F800 M818 M824 I825 V826 V865 | W797-I822 HydrophobicContact CD2-CD1 3.94Å; W797-I822 HydrophobicContact CE3-CD1 3.89Å; W797-I822 HydrophobicContact CG-CD1 4.49Å; W797-I822 HydrophobicContact CH2-CD1 4.43Å; W797-I822 HydrophobicContact CH2-CG2 3.68Å; W797-I822 HydrophobicContact CZ2-CD1 4.47Å; W797-I822 HydrophobicContact CZ2-CG2 3.44Å; W797-I822 VanDerWaalsContact CZ2-CG2 3.44Å; W797-I822 HydrophobicContact CZ3-CD1 4.14Å; W797-I822 HydrophobicContact CZ3-CG2 4.42Å; F800-I822 HydrophobicContact CB-CD1 4.14Å; F800-I822 HydrophobicContact CG-CD1 4.5Å; M818-I822 WeakPolarHBondContact O-CB 3.23Å; M818-I822 WeakPolarHBondContact O-CD1 3.48Å; M818-I822 WeakPolarHBondContact O-CG1 3.19Å; M818-I822 PolarHBondContact O-N 3.02Å; I822-M824 VanDerWaalsContact C-N 3.29Å; I822-M824 PolarHBondContact O-N 3.4Å; I822-I825 PolarHBondContact O-N 3.32Å; I822-V826 HydrophobicContact CG2-CG2 3.96Å; I822-V826 WeakPolarHBondContact O-CB 3.45Å; I822-V826 VanDerWaalsContact O-CG2 3.26Å; I822-V826 WeakPolarHBondContact O-CG2 3.37Å; I822-V826 PolarHBondContact O-N 2.92Å; I822-V865 HydrophobicContact CG2-CG1 3.81Å; I822-V865 HydrophobicContact CG2-CG2 4.27Å |
| 823 | K | 91.7 | Very high | 84 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.2 | -42 | 174.2 | 170.6 | -167.8 | 164.8 | -175.2 | 0 | 111.7 | L819 L820 I821 E864 V865 R868 | L819-K823 VanDerWaalsContact O-CB 3.28Å; L819-K823 WeakPolarHBondContact O-CB 3.34Å; L819-K823 PolarHBondContact O-N 3.15Å; L820-K823 HydrophobicContact CD2-CD 4.19Å; L820-K823 WeakPolarHBondContact O-CB 3.39Å; L820-K823 PolarHBondContact O-N 3.4Å; I821-K823 VanDerWaalsContact C-N 3.29Å; I821-K823 PolarHBondContact O-N 3.26Å; K823-E864 HydrophobicContact CD-CB 4.12Å; K823-E864 WeakPolarHBondContact CD-OE2 3.46Å; K823-E864 VanDerWaalsContact CE-OE2 3.31Å; K823-E864 WeakPolarHBondContact CE-OE2 3.48Å; K823-E864 IonicContact NZ-OE2 2.75Å; K823-E864 PolarHBondContact NZ-OE2 2.87Å; K823-V865 HydrophobicContact CB-CG2 3.8Å; K823-R868 VanDerWaalsContact CE-NH1 3.27Å; K823-R868 VanDerWaalsContact O-CD 3.29Å; K823-R868 WeakPolarHBondContact O-CD 3.35Å |
| 824 | M | 90.4 | Very high | 83.3 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 177.4 | -64.6 | 173.3 | -174 | 0 | 0 | 111.6 | L772 M775 E776 I779 L820 I821 I822 | L772-M824 HydrophobicContact CB-CE 4.03Å; L772-M824 HydrophobicContact CD2-CE 4Å; L772-M824 WeakPolarHBondContact O-CE 3.49Å; M775-M824 HydrophobicContact CG-SD 4.17Å; E776-M824 HydrophobicContact CB-CB 4.47Å; E776-M824 HydrophobicContact CB-CG 3.85Å; E776-M824 HydrophobicContact CB-SD 4.27Å; E776-M824 HydrophobicContact CG-CB 4.37Å; E776-M824 HydrophobicContact CG-CG 4.07Å; I779-M824 HydrophobicContact CD1-CB 4.03Å; I779-M824 HydrophobicContact CD1-SD 3.82Å; I779-M824 HydrophobicContact CG2-CB 4.38Å; L820-M824 VanDerWaalsContact O-CG 3.3Å; L820-M824 WeakPolarHBondContact O-CG 3.13Å; L820-M824 PolarHBondContact O-N 2.79Å; I821-M824 WeakPolarHBondContact O-CA 3.41Å; I821-M824 WeakPolarHBondContact O-CB 3.4Å; I821-M824 PolarHBondContact O-N 3.19Å; I822-M824 VanDerWaalsContact C-N 3.29Å; I822-M824 PolarHBondContact O-N 3.4Å |
| 825 | I | 88.5 | Confident | 82.8 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -48.1 | -179.7 | -66.9 | 171.9 | 0 | 0 | 0 | 112.3 | I779 I783 F788 I793 L796 I821 I822 K827 S828 G829 | I779-I825 HydrophobicContact CG2-CG1 4.01Å; I783-I825 HydrophobicContact CD1-CB 4.09Å; I783-I825 HydrophobicContact CD1-CG1 4.11Å; I783-I825 HydrophobicContact CD1-CG2 3.88Å; F788-I825 HydrophobicContact CD1-CD1 4.41Å; F788-I825 HydrophobicContact CE1-CD1 4.11Å; F788-I825 HydrophobicContact CE1-CG1 4.36Å; I793-I825 HydrophobicContact CD1-CG2 4.41Å; I793-I825 HydrophobicContact CG1-CG2 4.44Å; L796-I825 HydrophobicContact CD1-CD1 3.39Å; I821-I825 HydrophobicContact CG2-CD1 3.79Å; I821-I825 HydrophobicContact CG2-CG1 4.37Å; I821-I825 WeakPolarHBondContact O-CG1 3.47Å; I821-I825 PolarHBondContact O-N 3.4Å; I822-I825 PolarHBondContact O-N 3.32Å; I825-K827 PolarHBondContact O-N 2.94Å; I825-K827 VanDerWaalsContact O-N 3.16Å; I825-S828 PolarHBondContact O-N 3.01Å; I825-S828 VanDerWaalsContact O-N 3.15Å; I825-S828 PolarHBondContact O-OG 2.94Å; I825-G829 PolarHBondContact O-N 2.93Å |
| 826 | V | 84.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -29.4 | -174.6 | 165.6 | 0 | 0 | 0 | 0 | 112 | I822 S828 G829 R868 M869 | I822-V826 HydrophobicContact CG2-CG2 3.96Å; I822-V826 WeakPolarHBondContact O-CB 3.45Å; I822-V826 VanDerWaalsContact O-CG2 3.26Å; I822-V826 WeakPolarHBondContact O-CG2 3.37Å; I822-V826 PolarHBondContact O-N 2.92Å; V826-S828 VanDerWaalsContact C-N 3.29Å; V826-S828 PolarHBondContact O-N 3.17Å; V826-G829 PolarHBondContact O-N 2.98Å; V826-R868 HydrophobicContact CG1-CB 3.78Å; V826-M869 HydrophobicContact CB-CG 4.45Å; V826-M869 HydrophobicContact CG1-CB 4.25Å; V826-M869 HydrophobicContact CG1-CG 3.43Å; V826-M869 VanDerWaalsContact CG1-CG 3.43Å; V826-M869 HydrophobicContact CG2-CG 4.16Å |
| 827 | K | 78.6 | Confident | 82.3 | Confident | 113 Ų | 113 | 40.4 Ų | 40.4 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.3 | 179.8 | -169.9 | 169 | 164 | -160.4 | 0 | 113.2 | E776 Q780 I825 | E776-K827 WeakPolarHBondContact OE1-CD 3.46Å; E776-K827 IonicContact OE1-NZ 3.74Å; E776-K827 PolarHBondContact OE1-NZ 2.74Å; Q780-K827 VanDerWaalsContact NE2-CD 3.33Å; I825-K827 PolarHBondContact O-N 2.94Å; I825-K827 VanDerWaalsContact O-N 3.16Å |
| 828 | S | 66.9 | Low | 82.2 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -16.9 | -179.3 | 31.1 | 0 | 0 | 0 | 0 | 114.3 | I783 I825 V826 | I783-S828 WeakPolarHBondContact CD1-OG 3.32Å; I825-S828 PolarHBondContact O-N 3.01Å; I825-S828 VanDerWaalsContact O-N 3.15Å; I825-S828 PolarHBondContact O-OG 2.94Å; V826-S828 VanDerWaalsContact C-N 3.29Å; V826-S828 PolarHBondContact O-N 3.17Å |
| 829 | G | 59.6 | Low | 82 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -113.7 | -178.6 | -164 | 0 | 0 | 0 | 0 | 0 | 116.4 | I825 V826 K831 | I825-G829 PolarHBondContact O-N 2.93Å; V826-G829 PolarHBondContact O-N 2.98Å; G829-K831 PolarHBondContact O-N 3.23Å |
| 830 | A | 54.7 | Low | 81.9 | Confident | 84 Ų | 84 | 44.7 Ų | 44.7 | 69% | 0.694 | 24% | 0.239 | S | C | * | . | trans | -61.3 | 127.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E832 | A830-E832 VanDerWaalsContact C-N 3.26Å; A830-E832 HydrophobicContact CB-CG 4.35Å; A830-E832 PolarHBondContact O-N 2.81Å | ||
| 831 | K | 66 | Low | 81.9 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | trans | -76.5 | 71.2 | -176.4 | -66.6 | -176.9 | 172.7 | -170.2 | 0 | 111.5 | G829 I833 M869 V870 S872 | G829-K831 PolarHBondContact O-N 3.23Å; K831-I833 PolarHBondContact O-N 3.08Å; K831-M869 WeakPolarHBondContact CB-O 3.29Å; K831-V870 WeakPolarHBondContact CD-O 3.34Å; K831-V870 WeakPolarHBondContact CE-O 3.2Å; K831-V870 PolarHBondContact NZ-O 3.28Å; K831-S872 VanDerWaalsContact NZ-CB 3.33Å; K831-S872 PolarHBondContact NZ-OG 2.74Å | ||
| 832 | E | 68.6 | Low | 81.9 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | trans | -82.4 | 50.8 | -179.2 | -62.7 | -164.1 | 159.7 | 0 | 0 | 113 | A830 N834 R835 M869 | A830-E832 VanDerWaalsContact C-N 3.26Å; A830-E832 HydrophobicContact CB-CG 4.35Å; A830-E832 PolarHBondContact O-N 2.81Å; E832-N834 PolarHBondContact O-N 2.94Å; E832-N834 VanDerWaalsContact O-N 3.1Å; E832-R835 HydrophobicContact CB-CB 4.25Å; E832-R835 PolarHBondContact O-N 3.07Å; E832-R835 VanDerWaalsContact OE2-CD 3.32Å; E832-R835 WeakPolarHBondContact OE2-CD 3.44Å; E832-R835 IonicContact OE2-NH1 2.87Å; E832-M869 WeakPolarHBondContact O-CE 3.15Å | ||
| 833 | I | 75.7 | Confident | 81.8 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.3 | -37.5 | -178.5 | -166.6 | 164.6 | 0 | 0 | 0 | 112.2 | K831 R835 H836 L837 M869 F888 L930 | K831-I833 PolarHBondContact O-N 3.08Å; I833-R835 VanDerWaalsContact C-N 3.29Å; I833-R835 PolarHBondContact O-N 3.12Å; I833-H836 PolarHBondContact O-N 3.28Å; I833-L837 HydrophobicContact CG1-CB 4.39Å; I833-L837 WeakPolarHBondContact O-CB 3.18Å; I833-L837 PolarHBondContact O-N 2.87Å; I833-M869 HydrophobicContact CB-CB 4.1Å; I833-M869 HydrophobicContact CD1-CB 4.32Å; I833-M869 HydrophobicContact CG1-CB 4.2Å; I833-F888 HydrophobicContact CD1-CD1 4.47Å; I833-F888 HydrophobicContact CD1-CE1 3.97Å; I833-F888 HydrophobicContact CG2-CD1 4.41Å; I833-F888 HydrophobicContact CG2-CE1 3.9Å; I833-F888 HydrophobicContact CG2-CE2 4.36Å; I833-F888 HydrophobicContact CG2-CZ 3.87Å; I833-L930 HydrophobicContact CD1-CD1 4.37Å; I833-L930 HydrophobicContact CD1-CD2 4.08Å |
| 834 | N | 75.2 | Confident | 81.8 | Confident | 131 Ų | 131 | 50.8 Ų | 50.8 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | -178.3 | -64.9 | -36.8 | 0 | 0 | 0 | 113.7 | E832 | E832-N834 PolarHBondContact O-N 2.94Å; E832-N834 VanDerWaalsContact O-N 3.1Å |
| 835 | R | 82.7 | Confident | 81.9 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.4 | -34.8 | -177.3 | -172.7 | 177.9 | 176.8 | -163 | -7.9 | 112.2 | D794 E832 I833 | D794-R835 IonicContact OD1-CZ 3.08Å; D794-R835 IonicContact OD1-NH1 2.8Å; D794-R835 PolarHBondContact OD1-NH1 2.68Å; D794-R835 IonicContact OD1-NH2 3.94Å; D794-R835 PolarHBondContact OD1-NH2 2.88Å; D794-R835 IonicContact OD2-NH2 2.7Å; E832-R835 HydrophobicContact CB-CB 4.25Å; E832-R835 PolarHBondContact O-N 3.07Å; E832-R835 VanDerWaalsContact OE2-CD 3.32Å; E832-R835 WeakPolarHBondContact OE2-CD 3.44Å; E832-R835 IonicContact OE2-NH1 2.87Å; I833-R835 VanDerWaalsContact C-N 3.29Å; I833-R835 PolarHBondContact O-N 3.12Å |
| 836 | H | 88.7 | Confident | 81.7 | Confident | 16 Ų | 16 | 55 Ų | 55 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -118.2 | -5.4 | -169.7 | -59.9 | -70.2 | 0 | 0 | 0 | 115.3 | W797 I833 D838 T839 L840 M869 | W797-H836 AromaticContact CD1-CE1 3.53Å; W797-H836 AromaticContact CD1-NE2 3.79Å; W797-H836 AromaticContact CD2-CE1 3.61Å; W797-H836 AromaticContact CD2-CG 3.9Å; W797-H836 AromaticContact CD2-ND1 3.45Å; W797-H836 AromaticContact CE2-CD2 3.67Å; W797-H836 AromaticContact CE2-CE1 3.65Å; W797-H836 AromaticContact CE2-CG 3.62Å; W797-H836 AromaticContact CE2-ND1 3.63Å; W797-H836 AromaticContact CE2-NE2 3.71Å; W797-H836 HydrophobicContact CE3-CB 4.3Å; W797-H836 AromaticContact CE3-ND1 3.7Å; W797-H836 AromaticContact CG-CE1 3.55Å; W797-H836 AromaticContact CG-ND1 3.84Å; W797-H836 HydrophobicContact CH2-CB 3.52Å; W797-H836 AromaticContact CH2-CG 3.79Å; W797-H836 HydrophobicContact CZ2-CB 3.8Å; W797-H836 AromaticContact CZ2-CD2 3.69Å; W797-H836 AromaticContact CZ2-CG 3.57Å; W797-H836 HydrophobicContact CZ3-CB 3.8Å; W797-H836 AromaticContact NE1-CD2 3.84Å; W797-H836 AromaticContact NE1-CE1 3.59Å; W797-H836 AromaticContact NE1-NE2 3.47Å; W797-H836 PolarHBondContact NE1-NE2 3.45Å; I833-H836 PolarHBondContact O-N 3.28Å; H836-D838 VanDerWaalsContact C-N 3.28Å; H836-D838 PolarHBondContact O-N 3.32Å; H836-T839 WeakPolarHBondContact O-CB 3.4Å; H836-T839 PolarHBondContact O-N 3.33Å; H836-L840 WeakPolarHBondContact O-CG 3.49Å; H836-L840 PolarHBondContact O-N 3.4Å; H836-M869 HydrophobicContact CB-CE 4.1Å |
| 837 | L | 90.2 | Very high | 81.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.3 | -45.7 | 179.6 | 175.9 | 60.5 | 0 | 0 | 0 | 112.2 | I833 L840 I841 L866 L890 L896 | I833-L837 HydrophobicContact CG1-CB 4.39Å; I833-L837 WeakPolarHBondContact O-CB 3.18Å; I833-L837 PolarHBondContact O-N 2.87Å; L837-L840 PolarHBondContact O-N 3.38Å; L837-I841 HydrophobicContact CD1-CD1 4.01Å; L837-I841 HydrophobicContact CD1-CG1 4.42Å; L837-I841 HydrophobicContact CG-CD1 3.96Å; L837-I841 VanDerWaalsContact O-CG1 3.26Å; L837-I841 WeakPolarHBondContact O-CG1 3.41Å; L837-I841 PolarHBondContact O-N 3.18Å; L837-L866 HydrophobicContact CD1-CD2 3.63Å; L837-L890 HydrophobicContact CD2-CD1 3.93Å; L837-L896 HydrophobicContact CD1-CD2 4.33Å |
| 838 | D | 91.5 | Very high | 80.7 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | -179.2 | -175.4 | 47.9 | 0 | 0 | 0 | 112.1 | H836 I841 R842 | H836-D838 VanDerWaalsContact C-N 3.28Å; H836-D838 PolarHBondContact O-N 3.32Å; D838-I841 PolarHBondContact O-N 2.94Å; D838-R842 VanDerWaalsContact CG-NH1 3.3Å; D838-R842 WeakPolarHBondContact O-CG 3.37Å; D838-R842 PolarHBondContact O-N 3.05Å; D838-R842 IonicContact OD1-CZ 3.12Å; D838-R842 IonicContact OD1-NE 3.63Å; D838-R842 IonicContact OD1-NH1 3.98Å; D838-R842 IonicContact OD1-NH2 2.84Å; D838-R842 PolarHBondContact OD1-NH2 2.94Å; D838-R842 IonicContact OD2-CZ 2.9Å; D838-R842 IonicContact OD2-NH1 2.93Å; D838-R842 PolarHBondContact OD2-NH1 2.82Å; D838-R842 IonicContact OD2-NH2 2.64Å; D838-R842 PolarHBondContact OD2-NH2 3.44Å |
| 839 | T | 92.5 | Very high | 80.8 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 171.9 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | W797 F800 I801 H836 I841 R842 H843 | W797-T839 HydrophobicContact CE3-CG2 4.39Å; F800-T839 HydrophobicContact CD1-CG2 4.42Å; F800-T839 HydrophobicContact CE1-CG2 4.4Å; I801-T839 HydrophobicContact CD1-CG2 3.68Å; I801-T839 HydrophobicContact CG1-CG2 3.52Å; H836-T839 WeakPolarHBondContact O-CB 3.4Å; H836-T839 PolarHBondContact O-N 3.33Å; T839-I841 VanDerWaalsContact C-N 3.35Å; T839-I841 PolarHBondContact O-N 3.32Å; T839-R842 PolarHBondContact O-N 3.23Å; T839-H843 WeakPolarHBondContact O-CB 3.36Å; T839-H843 PolarHBondContact O-CD2 3.15Å; T839-H843 PolarHBondContact O-N 3.22Å |
| 840 | L | 94.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -66.4 | -36.2 | 179.2 | -70.6 | 169.8 | 0 | 0 | 0 | 112.1 | W797 F800 L819 H836 L837 G844 L845 T862 V865 L866 M869 | W797-L840 HydrophobicContact CH2-CD1 4.12Å; W797-L840 HydrophobicContact CH2-CD2 4.04Å; W797-L840 HydrophobicContact CH2-CG 4.11Å; W797-L840 HydrophobicContact CZ3-CD1 4.5Å; W797-L840 HydrophobicContact CZ3-CD2 3.81Å; W797-L840 HydrophobicContact CZ3-CG 3.99Å; F800-L840 HydrophobicContact CE1-CD2 4.27Å; L819-L840 HydrophobicContact CD2-CD2 3.85Å; H836-L840 WeakPolarHBondContact O-CG 3.49Å; H836-L840 PolarHBondContact O-N 3.4Å; L837-L840 PolarHBondContact O-N 3.38Å; L840-G844 CarbonylContact O-C 3.59Å; L840-G844 WeakPolarHBondContact O-CA 3.11Å; L840-G844 PolarHBondContact O-N 3.43Å; L840-L845 PolarHBondContact O-N 3.33Å; L840-T862 HydrophobicContact CB-CG2 3.92Å; L840-T862 HydrophobicContact CD2-CG2 4.1Å; L840-V865 HydrophobicContact CD1-CG1 3.93Å; L840-V865 HydrophobicContact CD2-CG1 4.26Å; L840-L866 HydrophobicContact CB-CD2 4.35Å; L840-L866 HydrophobicContact CD1-CD2 3.49Å; L840-L866 VanDerWaalsContact CD1-CD2 3.49Å; L840-L866 HydrophobicContact CD1-CG 3.88Å; L840-M869 HydrophobicContact CD1-SD 3.87Å |
| 841 | I | 93.7 | Very high | 82.2 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -65.8 | -52.3 | 175.7 | -67.5 | 163.9 | 0 | 0 | 0 | 110.5 | L837 D838 T839 L845 E846 V895 L896 | L837-I841 HydrophobicContact CD1-CD1 4.01Å; L837-I841 HydrophobicContact CD1-CG1 4.42Å; L837-I841 HydrophobicContact CG-CD1 3.96Å; L837-I841 VanDerWaalsContact O-CG1 3.26Å; L837-I841 WeakPolarHBondContact O-CG1 3.41Å; L837-I841 PolarHBondContact O-N 3.18Å; D838-I841 PolarHBondContact O-N 2.94Å; T839-I841 VanDerWaalsContact C-N 3.35Å; T839-I841 PolarHBondContact O-N 3.32Å; I841-L845 HydrophobicContact CG1-CD1 4.45Å; I841-L845 WeakPolarHBondContact O-CB 3.41Å; I841-L845 PolarHBondContact O-N 3.2Å; I841-E846 PolarHBondContact O-N 3.04Å; I841-V895 HydrophobicContact CG2-CG1 4.1Å; I841-L896 HydrophobicContact CD1-CB 3.93Å; I841-L896 HydrophobicContact CD1-CD1 4.37Å; I841-L896 HydrophobicContact CG1-CB 4.34Å; I841-L896 HydrophobicContact CG1-CD1 3.92Å |
| 842 | R | 91.5 | Very high | 82.6 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -69.1 | -43.3 | -176.1 | -67.9 | -165.3 | -163.6 | 106.6 | 8.5 | 113.4 | D838 T839 E846 | D838-R842 VanDerWaalsContact CG-NH1 3.3Å; D838-R842 WeakPolarHBondContact O-CG 3.37Å; D838-R842 PolarHBondContact O-N 3.05Å; D838-R842 IonicContact OD1-CZ 3.12Å; D838-R842 IonicContact OD1-NE 3.63Å; D838-R842 IonicContact OD1-NH1 3.98Å; D838-R842 IonicContact OD1-NH2 2.84Å; D838-R842 PolarHBondContact OD1-NH2 2.94Å; D838-R842 IonicContact OD2-CZ 2.9Å; D838-R842 IonicContact OD2-NH1 2.93Å; D838-R842 PolarHBondContact OD2-NH1 2.82Å; D838-R842 IonicContact OD2-NH2 2.64Å; D838-R842 PolarHBondContact OD2-NH2 3.44Å; T839-R842 PolarHBondContact O-N 3.23Å; R842-E846 WeakPolarHBondContact O-CB 3.38Å |
| 843 | H | 92.1 | Very high | 83.2 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.199 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -100.1 | -24.7 | -172.5 | -63.9 | -73.6 | 0 | 0 | 0 | 113.4 | F800 A804 S805 T839 | F800-H843 HydrophobicContact CE1-CB 3.89Å; F800-H843 HydrophobicContact CZ-CB 4.02Å; A804-H843 HydrophobicContact CB-CB 3.79Å; S805-H843 PolarHBondContact OG-ND1 3.47Å; T839-H843 WeakPolarHBondContact O-CB 3.36Å; T839-H843 PolarHBondContact O-CD2 3.15Å; T839-H843 PolarHBondContact O-N 3.22Å |
| 844 | G | 91.7 | Very high | 83.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -93.2 | -33.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L840 T862 | L840-G844 CarbonylContact O-C 3.59Å; L840-G844 WeakPolarHBondContact O-CA 3.11Å; L840-G844 PolarHBondContact O-N 3.43Å; G844-T862 VanDerWaalsContact CA-OG1 3.29Å; G844-T862 WeakPolarHBondContact CA-OG1 3.43Å |
| 845 | L | 93.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -110.1 | -19.6 | -174.7 | -53.1 | -178.5 | 0 | 0 | 0 | 114.3 | L840 I841 V859 T862 L896 R899 L900 I903 | L840-L845 PolarHBondContact O-N 3.33Å; I841-L845 HydrophobicContact CG1-CD1 4.45Å; I841-L845 WeakPolarHBondContact O-CB 3.41Å; I841-L845 PolarHBondContact O-N 3.2Å; L845-V859 HydrophobicContact CD2-CB 4.32Å; L845-V859 HydrophobicContact CD2-CG1 3.9Å; L845-V859 HydrophobicContact CD2-CG2 4.22Å; L845-T862 HydrophobicContact CD2-CG2 3.73Å; L845-T862 HydrophobicContact CG-CG2 3.99Å; L845-L896 HydrophobicContact CD1-CD1 3.57Å; L845-R899 HydrophobicContact CB-CG 3.82Å; L845-R899 HydrophobicContact CD1-CG 4.39Å; L845-R899 VanDerWaalsContact O-CZ 3.28Å; L845-R899 PolarHBondContact O-NE 3.41Å; L845-R899 PolarHBondContact O-NH2 3.24Å; L845-L900 HydrophobicContact CD1-CD2 4.09Å; L845-L900 HydrophobicContact CD1-CG 4.47Å; L845-L900 HydrophobicContact CD2-CD2 4.23Å; L845-I903 HydrophobicContact CB-CD1 4.16Å |
| 846 | E | 82.9 | Confident | 85 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -91.4 | 130.4 | -179.4 | -149.5 | 169 | 175.2 | 0 | 0 | 111 | I841 R842 | I841-E846 PolarHBondContact O-N 3.04Å; R842-E846 WeakPolarHBondContact O-CB 3.38Å |
| 847 | P | 75 | Confident | 85.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | trans | -68.8 | 144.4 | 166.6 | 32.1 | -37.3 | 0 | 0 | 0 | 107.9 | D849 | P847-D849 PolarHBondContact O-N 3Š| ||
| 848 | L | 67.9 | Low | 85.3 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -62 | -37 | -179.7 | -164.2 | 73.1 | 0 | 0 | 0 | 112.1 | S805 T807 | S805-L848 WeakPolarHBondContact O-CD2 3.36Å; T807-L848 HydrophobicContact CG2-CD2 3.42Å; T807-L848 VanDerWaalsContact CG2-CD2 3.42Å |
| 849 | D | 70 | Confident | 85.6 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -133.8 | 147.8 | 173.8 | -176.9 | 15.1 | 0 | 0 | 0 | 109.5 | P847 S851 C852 | P847-D849 PolarHBondContact O-N 3Å; D849-S851 PolarHBondContact O-N 2.96Å; D849-S851 VanDerWaalsContact O-N 3.08Å; D849-S851 WeakPolarHBondContact OD2-CB 3.36Å; D849-S851 PolarHBondContact OD2-OG 2.89Å; D849-C852 PolarHBondContact O-N 3.41Å |
| 850 | S | 69.7 | Low | 85.8 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 85% | 0.853 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.9 | 175.4 | -64 | 0 | 0 | 0 | 0 | 112.9 | ||
| 851 | S | 73.7 | Confident | 85.8 | Confident | 91 Ų | 91 | 53 Ų | 53 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -23.8 | 174.7 | 72.6 | 0 | 0 | 0 | 0 | 114 | D849 | D849-S851 PolarHBondContact O-N 2.96Å; D849-S851 VanDerWaalsContact O-N 3.08Å; D849-S851 WeakPolarHBondContact OD2-CB 3.36Å; D849-S851 PolarHBondContact OD2-OG 2.89Å |
| 852 | C | 74.7 | Confident | 85.9 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -79.5 | 138.8 | -176.1 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | D849 | D849-C852 PolarHBondContact O-N 3.41Š|
| 853 | P | 80.8 | Confident | 86.1 | Confident | 109 Ų | 109 | 46.3 Ų | 46.3 | 71% | 0.708 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 147.2 | 172.4 | 28.8 | -33.9 | 0 | 0 | 0 | 110.3 | D855 | P853-D855 PolarHBondContact O-N 2.99Š|
| 854 | I | 87.2 | Confident | 86.2 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 122.5 | 177.2 | -60.7 | 164.2 | 0 | 0 | 0 | 108.7 | L856 V859 I903 T907 | I854-L856 HydrophobicContact CG2-CD2 4.18Å; I854-L856 PolarHBondContact O-N 3.43Å; I854-L856 VanDerWaalsContact O-N 3.16Å; I854-V859 HydrophobicContact CG2-CG2 3.96Å; I854-I903 HydrophobicContact CD1-CG1 4.24Å; I854-I903 HydrophobicContact CG2-CG2 4.15Å; I854-T907 HydrophobicContact CB-CG2 4.33Å; I854-T907 HydrophobicContact CD1-CG2 3.83Å |
| 855 | D | 90.1 | Very high | 86.3 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | trans | -73.8 | 100.6 | 172.6 | -175.2 | -19.9 | 0 | 0 | 0 | 110.1 | S812 K816 P853 E857 R858 V859 | S812-D855 PolarHBondContact OG-OD2 3Å; K816-D855 WeakPolarHBondContact CE-OD2 3.34Å; K816-D855 IonicContact NZ-OD2 2.62Å; P853-D855 PolarHBondContact O-N 2.99Å; D855-E857 PolarHBondContact O-N 2.65Å; D855-E857 WeakPolarHBondContact OD1-CB 3.32Å; D855-E857 PolarHBondContact OD1-N 3.36Å; D855-R858 HydrophobicContact CB-CB 3.95Å; D855-R858 PolarHBondContact O-N 2.76Å; D855-R858 PolarHBondContact OD1-N 3.27Å; D855-R858 IonicContact OD2-NE 3.57Å; D855-V859 WeakPolarHBondContact O-CG2 3.48Å; D855-V859 PolarHBondContact O-N 3.19Å; D855-V859 VanDerWaalsContact O-N 3.15Å | ||
| 856 | L | 93 | Very high | 86.3 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -27.7 | -177.7 | -59.2 | -167.6 | 0 | 0 | 0 | 113.1 | I854 K860 T907 Q913 L915 W916 M919 | I854-L856 HydrophobicContact CG2-CD2 4.18Å; I854-L856 PolarHBondContact O-N 3.43Å; I854-L856 VanDerWaalsContact O-N 3.16Å; L856-K860 WeakPolarHBondContact O-CB 3.34Å; L856-K860 PolarHBondContact O-N 2.95Å; L856-T907 HydrophobicContact CD2-CG2 3.9Å; L856-Q913 HydrophobicContact CD1-CB 3.79Å; L856-Q913 HydrophobicContact CD1-CG 4.02Å; L856-Q913 VanDerWaalsContact CD1-OE1 3.22Å; L856-L915 HydrophobicContact CB-CB 4.35Å; L856-W916 HydrophobicContact CD1-CB 4.16Å; L856-M919 HydrophobicContact CB-CB 4.47Å; L856-M919 HydrophobicContact CB-CG 4.41Å; L856-M919 HydrophobicContact CD2-CE 4.05Å |
| 857 | E | 93 | Very high | 86.6 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.4 | -44.9 | -180 | -174.4 | 169.7 | -136.8 | 0 | 0 | 110.6 | K816 D855 V859 K860 F861 L915 | K816-E857 HydrophobicContact CD-CG 4.25Å; K816-E857 WeakPolarHBondContact CD-OE2 3.24Å; K816-E857 WeakPolarHBondContact CE-OE2 3.48Å; K816-E857 IonicContact NZ-OE2 3.97Å; K816-E857 PolarHBondContact NZ-OE2 3.37Å; D855-E857 PolarHBondContact O-N 2.65Å; D855-E857 WeakPolarHBondContact OD1-CB 3.32Å; D855-E857 PolarHBondContact OD1-N 3.36Å; E857-V859 VanDerWaalsContact C-N 3.3Å; E857-V859 PolarHBondContact O-N 3.3Å; E857-K860 WeakPolarHBondContact O-CB 3.23Å; E857-K860 PolarHBondContact O-N 2.93Å; E857-F861 HydrophobicContact CG-CD2 4.07Å; E857-F861 HydrophobicContact CG-CE1 4.49Å; E857-F861 HydrophobicContact CG-CE2 3.46Å; E857-F861 VanDerWaalsContact CG-CE2 3.46Å; E857-F861 HydrophobicContact CG-CZ 3.7Å; E857-F861 WeakPolarHBondContact O-CG 3.19Å; E857-F861 PolarHBondContact O-N 3.46Å; E857-L915 HydrophobicContact CB-CD1 3.85Å; E857-L915 HydrophobicContact CG-CD1 4.36Å |
| 858 | R | 93.8 | Very high | 87.2 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 172.2 | -171 | -175.1 | -62 | -168.4 | -0.4 | 111.6 | A804 S812 L819 D855 F861 T862 | A804-R858 PolarHBondContact O-NH1 2.89Å; S812-R858 PolarHBondContact OG-NH2 2.94Å; L819-R858 HydrophobicContact CD1-CG 3.87Å; D855-R858 HydrophobicContact CB-CB 3.95Å; D855-R858 PolarHBondContact O-N 2.76Å; D855-R858 PolarHBondContact OD1-N 3.27Å; D855-R858 IonicContact OD2-NE 3.57Å; R858-F861 PolarHBondContact O-N 3.42Å; R858-T862 WeakPolarHBondContact O-CB 3.36Å; R858-T862 PolarHBondContact O-N 3.14Å; R858-T862 PolarHBondContact O-OG1 3.38Å |
| 859 | V | 96.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L845 I854 D855 E857 T862 C863 I903 M919 | L845-V859 HydrophobicContact CD2-CB 4.32Å; L845-V859 HydrophobicContact CD2-CG1 3.9Å; L845-V859 HydrophobicContact CD2-CG2 4.22Å; I854-V859 HydrophobicContact CG2-CG2 3.96Å; D855-V859 WeakPolarHBondContact O-CG2 3.48Å; D855-V859 PolarHBondContact O-N 3.19Å; D855-V859 VanDerWaalsContact O-N 3.15Å; E857-V859 VanDerWaalsContact C-N 3.3Å; E857-V859 PolarHBondContact O-N 3.3Å; V859-T862 PolarHBondContact O-N 3.11Å; V859-C863 PolarHBondContact O-N 2.8Å; V859-C863 PolarHBondContact O-SG 3.08Å; V859-I903 HydrophobicContact CG1-CD1 4.38Å; V859-I903 HydrophobicContact CG1-CG2 4.48Å; V859-I903 HydrophobicContact CG2-CD1 4.11Å; V859-M919 HydrophobicContact CB-CG 4.13Å; V859-M919 HydrophobicContact CG1-CG 3.75Å; V859-M919 HydrophobicContact CG1-SD 3.86Å |
| 860 | K | 96.7 | Very high | 88.7 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.8 | -52.4 | 176 | 175.1 | -161.5 | 146.3 | -164.7 | 0 | 110.8 | L856 E857 T862 C863 E864 P918 M919 Q922 | L856-K860 WeakPolarHBondContact O-CB 3.34Å; L856-K860 PolarHBondContact O-N 2.95Å; E857-K860 WeakPolarHBondContact O-CB 3.23Å; E857-K860 PolarHBondContact O-N 2.93Å; K860-T862 VanDerWaalsContact C-N 3.33Å; K860-T862 PolarHBondContact O-N 3.08Å; K860-C863 WeakPolarHBondContact O-CB 3.27Å; K860-C863 PolarHBondContact O-N 3.15Å; K860-C863 VanDerWaalsContact O-N 3.15Å; K860-E864 WeakPolarHBondContact CE-OE1 3.39Å; K860-E864 IonicContact NZ-OE1 3.7Å; K860-E864 WeakPolarHBondContact O-CG 3.49Å; K860-E864 PolarHBondContact O-N 3.34Å; K860-P918 HydrophobicContact CD-CB 4.42Å; K860-M919 HydrophobicContact CB-CB 4.25Å; K860-M919 HydrophobicContact CB-CG 4.45Å; K860-Q922 HydrophobicContact CG-CG 4.04Å |
| 861 | F | 95.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | -179.9 | -63.1 | -28.9 | 0 | 0 | 0 | 112.5 | K816 L819 L820 E857 R858 C863 E864 V865 | K816-F861 HydrophobicContact CB-CD2 4.07Å; K816-F861 HydrophobicContact CB-CE2 4.09Å; K816-F861 HydrophobicContact CG-CD2 4.31Å; K816-F861 HydrophobicContact CG-CE2 4.42Å; L819-F861 HydrophobicContact CB-CB 3.98Å; L819-F861 HydrophobicContact CD1-CB 4.09Å; L820-F861 HydrophobicContact CD1-CE2 4Å; L820-F861 HydrophobicContact CD1-CZ 4.02Å; L820-F861 HydrophobicContact CD2-CD1 3.75Å; L820-F861 HydrophobicContact CD2-CD2 4.33Å; L820-F861 HydrophobicContact CD2-CE1 3.74Å; L820-F861 HydrophobicContact CD2-CE2 4.31Å; L820-F861 HydrophobicContact CD2-CG 4.08Å; L820-F861 HydrophobicContact CD2-CZ 4.04Å; L820-F861 HydrophobicContact CG-CD1 4.45Å; L820-F861 HydrophobicContact CG-CD2 4.15Å; L820-F861 HydrophobicContact CG-CE1 4.41Å; L820-F861 HydrophobicContact CG-CE2 4.1Å; L820-F861 HydrophobicContact CG-CG 4.35Å; L820-F861 HydrophobicContact CG-CZ 4.25Å; E857-F861 HydrophobicContact CG-CD2 4.07Å; E857-F861 HydrophobicContact CG-CE1 4.49Å; E857-F861 HydrophobicContact CG-CE2 3.46Å; E857-F861 VanDerWaalsContact CG-CE2 3.46Å; E857-F861 HydrophobicContact CG-CZ 3.7Å; E857-F861 WeakPolarHBondContact O-CG 3.19Å; E857-F861 PolarHBondContact O-N 3.46Å; R858-F861 PolarHBondContact O-N 3.42Å; F861-C863 VanDerWaalsContact C-N 3.31Å; F861-C863 PolarHBondContact O-N 3.27Å; F861-E864 PolarHBondContact O-N 3.05Å; F861-E864 VanDerWaalsContact O-N 3.14Å; F861-V865 WeakPolarHBondContact O-CG2 3.48Å; F861-V865 PolarHBondContact O-N 3.4Å |
| 862 | T | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 172.9 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | L840 G844 L845 R858 V859 K860 V865 L866 | L840-T862 HydrophobicContact CB-CG2 3.92Å; L840-T862 HydrophobicContact CD2-CG2 4.1Å; G844-T862 VanDerWaalsContact CA-OG1 3.29Å; G844-T862 WeakPolarHBondContact CA-OG1 3.43Å; L845-T862 HydrophobicContact CD2-CG2 3.73Å; L845-T862 HydrophobicContact CG-CG2 3.99Å; R858-T862 WeakPolarHBondContact O-CB 3.36Å; R858-T862 PolarHBondContact O-N 3.14Å; R858-T862 PolarHBondContact O-OG1 3.38Å; V859-T862 PolarHBondContact O-N 3.11Å; K860-T862 VanDerWaalsContact C-N 3.33Å; K860-T862 PolarHBondContact O-N 3.08Å; T862-V865 PolarHBondContact O-N 3.44Å; T862-L866 HydrophobicContact CG2-CD1 4.42Å; T862-L866 WeakPolarHBondContact O-CG 3.28Å; T862-L866 PolarHBondContact O-N 2.82Å |
| 863 | C | 96.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | V859 K860 F861 V865 L866 G867 Q922 I926 | V859-C863 PolarHBondContact O-N 2.8Å; V859-C863 PolarHBondContact O-SG 3.08Å; K860-C863 WeakPolarHBondContact O-CB 3.27Å; K860-C863 PolarHBondContact O-N 3.15Å; K860-C863 VanDerWaalsContact O-N 3.15Å; F861-C863 VanDerWaalsContact C-N 3.31Å; F861-C863 PolarHBondContact O-N 3.27Å; C863-V865 VanDerWaalsContact C-N 3.31Å; C863-V865 PolarHBondContact O-N 3.35Å; C863-L866 PolarHBondContact O-N 3.04Å; C863-G867 PolarHBondContact O-N 3.42Å; C863-Q922 HydrophobicContact CB-CB 3.81Å; C863-I926 HydrophobicContact CB-CG1 3.81Å; C863-I926 VanDerWaalsContact O-CD1 3.23Å; C863-I926 WeakPolarHBondContact O-CD1 3.24Å; C863-I926 WeakPolarHBondContact O-CG1 3.08Å |
| 864 | E | 93.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -34.6 | 177.2 | -70.3 | 178.6 | -173.8 | 0 | 0 | 113.4 | K823 K860 F861 R868 Q922 | K823-E864 HydrophobicContact CD-CB 4.12Å; K823-E864 WeakPolarHBondContact CD-OE2 3.46Å; K823-E864 VanDerWaalsContact CE-OE2 3.31Å; K823-E864 WeakPolarHBondContact CE-OE2 3.48Å; K823-E864 IonicContact NZ-OE2 2.75Å; K823-E864 PolarHBondContact NZ-OE2 2.87Å; K860-E864 WeakPolarHBondContact CE-OE1 3.39Å; K860-E864 IonicContact NZ-OE1 3.7Å; K860-E864 WeakPolarHBondContact O-CG 3.49Å; K860-E864 PolarHBondContact O-N 3.34Å; F861-E864 PolarHBondContact O-N 3.05Å; F861-E864 VanDerWaalsContact O-N 3.14Å; E864-R868 PolarHBondContact O-N 3.04Å; E864-Q922 HydrophobicContact CG-CG 4.02Å |
| 865 | V | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -53.3 | 171.5 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | W797 L819 I822 K823 L840 F861 T862 C863 G867 R868 M869 | W797-V865 HydrophobicContact CH2-CG1 4.41Å; L819-V865 HydrophobicContact CD2-CG2 4.22Å; L819-V865 VanDerWaalsContact O-CG2 3.32Å; L819-V865 WeakPolarHBondContact O-CG2 3.38Å; I822-V865 HydrophobicContact CG2-CG1 3.81Å; I822-V865 HydrophobicContact CG2-CG2 4.27Å; K823-V865 HydrophobicContact CB-CG2 3.8Å; L840-V865 HydrophobicContact CD1-CG1 3.93Å; L840-V865 HydrophobicContact CD2-CG1 4.26Å; F861-V865 WeakPolarHBondContact O-CG2 3.48Å; F861-V865 PolarHBondContact O-N 3.4Å; T862-V865 PolarHBondContact O-N 3.44Å; C863-V865 VanDerWaalsContact C-N 3.31Å; C863-V865 PolarHBondContact O-N 3.35Å; V865-G867 PolarHBondContact O-N 3.38Å; V865-R868 PolarHBondContact O-N 2.6Å; V865-M869 HydrophobicContact CG1-CG 4.35Å; V865-M869 HydrophobicContact CG1-SD 4.08Å; V865-M869 WeakPolarHBondContact O-CG 3.3Å; V865-M869 PolarHBondContact O-N 3.36Å; V865-M869 VanDerWaalsContact O-N 3.11Å |
| 866 | L | 92.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.9 | -42.9 | 179 | -75.2 | 172.3 | 0 | 0 | 0 | 111.9 | L837 L840 T862 C863 R868 M869 V870 L896 I926 | L837-L866 HydrophobicContact CD1-CD2 3.63Å; L840-L866 HydrophobicContact CB-CD2 4.35Å; L840-L866 HydrophobicContact CD1-CD2 3.49Å; L840-L866 VanDerWaalsContact CD1-CD2 3.49Å; L840-L866 HydrophobicContact CD1-CG 3.88Å; T862-L866 HydrophobicContact CG2-CD1 4.42Å; T862-L866 WeakPolarHBondContact O-CG 3.28Å; T862-L866 PolarHBondContact O-N 2.82Å; C863-L866 PolarHBondContact O-N 3.04Å; L866-R868 VanDerWaalsContact C-N 3.26Å; L866-R868 PolarHBondContact O-N 3.21Å; L866-M869 PolarHBondContact O-N 2.86Å; L866-M869 VanDerWaalsContact O-N 3.1Å; L866-V870 VanDerWaalsContact O-CG2 3.32Å; L866-V870 WeakPolarHBondContact O-CG2 3.37Å; L866-V870 PolarHBondContact O-N 3.38Å; L866-L896 HydrophobicContact CD1-CD1 3.92Å; L866-I926 HydrophobicContact CB-CD1 4.16Å; L866-I926 HydrophobicContact CB-CG1 4.41Å; L866-I926 HydrophobicContact CB-CG2 4.36Å; L866-I926 HydrophobicContact CD1-CG2 4.33Å |
| 867 | G | 89.6 | Confident | 79.9 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -32.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C863 V865 | C863-G867 PolarHBondContact O-N 3.42Å; V865-G867 PolarHBondContact O-N 3.38Å |
| 868 | R | 87.4 | Confident | 77.5 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -80.9 | -27.1 | 175.4 | -71.3 | -176 | 168.2 | 68.8 | -4.9 | 113.2 | E776 K823 V826 E864 V865 L866 V870 | E776-R868 IonicContact OE1-NH2 3.02Å; K823-R868 VanDerWaalsContact CE-NH1 3.27Å; K823-R868 VanDerWaalsContact O-CD 3.29Å; K823-R868 WeakPolarHBondContact O-CD 3.35Å; V826-R868 HydrophobicContact CG1-CB 3.78Å; E864-R868 PolarHBondContact O-N 3.04Å; V865-R868 PolarHBondContact O-N 2.6Å; L866-R868 VanDerWaalsContact C-N 3.26Å; L866-R868 PolarHBondContact O-N 3.21Å; R868-V870 VanDerWaalsContact C-N 3.27Å; R868-V870 PolarHBondContact O-N 3.14Å |
| 869 | M | 87 | Confident | 75 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.6 | -13.4 | 176.8 | -63.7 | -174.2 | 87.1 | 0 | 0 | 113.4 | V826 K831 E832 I833 H836 L840 V865 L866 P871 | V826-M869 HydrophobicContact CB-CG 4.45Å; V826-M869 HydrophobicContact CG1-CB 4.25Å; V826-M869 HydrophobicContact CG1-CG 3.43Å; V826-M869 VanDerWaalsContact CG1-CG 3.43Å; V826-M869 HydrophobicContact CG2-CG 4.16Å; K831-M869 WeakPolarHBondContact CB-O 3.29Å; E832-M869 WeakPolarHBondContact O-CE 3.15Å; I833-M869 HydrophobicContact CB-CB 4.1Å; I833-M869 HydrophobicContact CD1-CB 4.32Å; I833-M869 HydrophobicContact CG1-CB 4.2Å; H836-M869 HydrophobicContact CB-CE 4.1Å; L840-M869 HydrophobicContact CD1-SD 3.87Å; V865-M869 HydrophobicContact CG1-CG 4.35Å; V865-M869 HydrophobicContact CG1-SD 4.08Å; V865-M869 WeakPolarHBondContact O-CG 3.3Å; V865-M869 PolarHBondContact O-N 3.36Å; V865-M869 VanDerWaalsContact O-N 3.11Å; L866-M869 PolarHBondContact O-N 2.86Å; L866-M869 VanDerWaalsContact O-N 3.1Å; M869-P871 VanDerWaalsContact O-CD 3.28Å; M869-P871 WeakPolarHBondContact O-CD 3.22Å |
| 870 | V | 82 | Confident | 72.7 | Confident | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -63.3 | 120.1 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | K831 L866 R868 S872 D929 L930 | K831-V870 WeakPolarHBondContact CD-O 3.34Å; K831-V870 WeakPolarHBondContact CE-O 3.2Å; K831-V870 PolarHBondContact NZ-O 3.28Å; L866-V870 VanDerWaalsContact O-CG2 3.32Å; L866-V870 WeakPolarHBondContact O-CG2 3.37Å; L866-V870 PolarHBondContact O-N 3.38Å; R868-V870 VanDerWaalsContact C-N 3.27Å; R868-V870 PolarHBondContact O-N 3.14Å; V870-S872 PolarHBondContact O-N 3.48Å; V870-S872 VanDerWaalsContact O-N 3.15Å; V870-D929 HydrophobicContact CG2-CB 4.38Å; V870-L930 HydrophobicContact CG1-CD2 4.24Å; V870-L930 HydrophobicContact CG2-CD2 3.98Å; V870-L930 HydrophobicContact CG2-CG 4.29Å |
| 871 | P | 74.8 | Confident | 70.4 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -54 | 119.8 | 176.2 | -26.5 | 35.9 | 0 | 0 | 0 | 111.1 | M869 F888 | M869-P871 VanDerWaalsContact O-CD 3.28Å; M869-P871 WeakPolarHBondContact O-CD 3.22Å; P871-F888 HydrophobicContact CG-CB 4.09Å; P871-F888 HydrophobicContact CG-CG 4.36Å |
| 872 | S | 65.7 | Low | 68.3 | Low | 54 Ų | 54 | 65.8 Ų | 65.8 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 129.2 | 177.5 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | K831 V870 K874 S875 | K831-S872 VanDerWaalsContact NZ-CB 3.33Å; K831-S872 PolarHBondContact NZ-OG 2.74Å; V870-S872 PolarHBondContact O-N 3.48Å; V870-S872 VanDerWaalsContact O-N 3.15Å; S872-K874 PolarHBondContact O-N 2.97Å; S872-S875 PolarHBondContact O-OG 3.15Å; S872-S875 PolarHBondContact OG-OG 2.88Å |
| 873 | T | 58.2 | Low | 66.4 | Low | 56 Ų | 56 | 68.8 Ų | 68.8 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.4 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | S882 | T873-S882 PolarHBondContact O-OG 3.25Š|
| 874 | K | 52.8 | Low | 64.7 | Low | 196 Ų | 196 | 71.3 Ų | 71.3 | 85% | 0.852 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.8 | -173.2 | -67.3 | -170.2 | 176.4 | -177.3 | 0 | 116.1 | S872 | S872-K874 PolarHBondContact O-N 2.97Š|
| 875 | S | 46 | Very low | 63.6 | Low | 78 Ų | 78 | 75.5 Ų | 75.5 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | trans | -93.7 | 0.1 | -162.7 | 57.5 | 0 | 0 | 0 | 0 | 118.3 | S872 | S872-S875 PolarHBondContact O-OG 3.15Å; S872-S875 PolarHBondContact OG-OG 2.88Å | ||
| 876 | D | 41.4 | Very low | 62.8 | Low | 101 Ų | 101 | 82 Ų | 82 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | trans | -110.5 | 109.5 | 174.9 | -73.2 | -31.7 | 0 | 0 | 0 | 111.5 | S878 | D876-S878 PolarHBondContact O-N 3.18Š| ||
| 877 | K | 45.2 | Very low | 62.2 | Low | 225 Ų | 225 | 83.8 Ų | 83.8 | 98% | 0.978 | 46% | 0.461 | S | S | * | . | trans | -61.5 | 8.6 | 163.4 | -67.7 | -178.1 | 176.9 | 178.2 | 0 | 113 | ||||
| 878 | S | 42.3 | Very low | 62.1 | Low | 75 Ų | 75 | 85.2 Ų | 85.2 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -80.8 | 118.6 | 171.8 | 78.6 | 0 | 0 | 0 | 0 | 108.5 | D876 | D876-S878 PolarHBondContact O-N 3.18Š|
| 879 | G | 41.7 | Very low | 62.2 | Low | 63 Ų | 63 | 84.7 Ų | 84.7 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 148.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K881 | G879-K881 PolarHBondContact O-N 3.36Š|
| 880 | D | 47.7 | Very low | 62.4 | Low | 153 Ų | 153 | 85.2 Ų | 85.2 | 82% | 0.818 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -16.8 | 163.9 | -75.4 | -10 | 0 | 0 | 0 | 120.9 | S883 | D880-S883 PolarHBondContact O-OG 2.75Š|
| 881 | K | 49.3 | Very low | 63 | Low | 160 Ų | 160 | 86.8 Ų | 86.8 | 70% | 0.696 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -20.3 | -174.3 | -68.2 | -174 | -177.5 | 174.8 | 0 | 114.4 | G879 S883 L884 | G879-K881 PolarHBondContact O-N 3.36Å; K881-S883 VanDerWaalsContact C-N 3.28Å; K881-S883 PolarHBondContact O-N 3.45Å; K881-L884 PolarHBondContact O-N 3.47Å |
| 882 | S | 50.6 | Low | 63.8 | Low | 21 Ų | 21 | 86.2 Ų | 86.2 | 15% | 0.147 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -61.7 | -37.6 | 178.1 | 161.7 | 0 | 0 | 0 | 0 | 111.8 | T873 L884 L885 | T873-S882 PolarHBondContact O-OG 3.25Å; S882-L884 PolarHBondContact O-N 2.93Å; S882-L884 VanDerWaalsContact O-N 3.14Å; S882-L885 PolarHBondContact O-N 3.05Å |
| 883 | S | 56.7 | Low | 65 | Low | 63 Ų | 63 | 90 Ų | 90 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -62.4 | -19 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | D880 K881 R1047 | D880-S883 PolarHBondContact O-OG 2.75Å; K881-S883 VanDerWaalsContact C-N 3.28Å; K881-S883 PolarHBondContact O-N 3.45Å; S883-R1047 VanDerWaalsContact O-CG 3.29Å; S883-R1047 WeakPolarHBondContact O-CG 3.46Å |
| 884 | L | 61.1 | Low | 66.8 | Low | 52 Ų | 52 | 89.8 Ų | 89.8 | 27% | 0.272 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -90.6 | -11.6 | -177.1 | -60.7 | 171.4 | 0 | 0 | 0 | 113.7 | K881 S882 K886 R1047 L1050 I1051 | K881-L884 PolarHBondContact O-N 3.47Å; S882-L884 PolarHBondContact O-N 2.93Å; S882-L884 VanDerWaalsContact O-N 3.14Å; L884-K886 PolarHBondContact O-N 2.98Å; L884-R1047 PolarHBondContact O-NH1 3.04Å; L884-R1047 VanDerWaalsContact O-NH1 3.12Å; L884-L1050 HydrophobicContact CD2-CB 4.03Å; L884-I1051 HydrophobicContact CD2-CG1 3.64Å |
| 885 | L | 69.8 | Low | 68.7 | Low | 108 Ų | 108 | 85 Ų | 85 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -69.3 | 128 | -177 | -66.9 | 177.4 | 0 | 0 | 0 | 111.2 | S882 R1047 | S882-L885 PolarHBondContact O-N 3.05Å; L885-R1047 VanDerWaalsContact O-CD 3.24Å; L885-R1047 WeakPolarHBondContact O-CD 3.32Å |
| 886 | K | 77.3 | Confident | 71.1 | Confident | 137 Ų | 137 | 81.3 Ų | 81.3 | 60% | 0.596 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 131.3 | 175.3 | -171.1 | -177.3 | 176.8 | -169.8 | 0 | 108.8 | L884 | L884-K886 PolarHBondContact O-N 2.98Š|
| 887 | P | 80.6 | Confident | 73.7 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 24% | 0.24 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 141.1 | 174.5 | -24.5 | 33 | 0 | 0 | 0 | 111.7 | R889 E1044 | P887-R889 HydrophobicContact CB-CG 4.42Å; P887-R889 PolarHBondContact O-N 3.2Å; P887-E1044 WeakPolarHBondContact CD-OE2 3.47Å |
| 888 | F | 86.2 | Confident | 76 | Confident | 59 Ų | 59 | 69 Ų | 69 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | trans | -70 | 112.3 | 175.2 | -178.5 | -95.1 | 0 | 0 | 0 | 109.5 | I833 P871 L890 L930 | I833-F888 HydrophobicContact CD1-CD1 4.47Å; I833-F888 HydrophobicContact CD1-CE1 3.97Å; I833-F888 HydrophobicContact CG2-CD1 4.41Å; I833-F888 HydrophobicContact CG2-CE1 3.9Å; I833-F888 HydrophobicContact CG2-CE2 4.36Å; I833-F888 HydrophobicContact CG2-CZ 3.87Å; P871-F888 HydrophobicContact CG-CB 4.09Å; P871-F888 HydrophobicContact CG-CG 4.36Å; F888-L890 HydrophobicContact CE1-CD2 4.02Å; F888-L890 HydrophobicContact CE1-CG 4.22Å; F888-L890 HydrophobicContact CZ-CD2 3.88Å; F888-L930 HydrophobicContact CD1-CD2 3.76Å; F888-L930 HydrophobicContact CE1-CD2 3.99Å | ||
| 889 | R | 89.9 | Confident | 78.5 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | trans | -132.5 | 146.4 | 180 | -61.7 | -65.3 | -175.9 | 150.9 | -19.2 | 110.1 | P887 Y928 D929 L930 A931 E932 | P887-R889 HydrophobicContact CB-CG 4.42Å; P887-R889 PolarHBondContact O-N 3.2Å; R889-Y928 PolarHBondContact NH1-O 3.06Å; R889-Y928 PolarHBondContact NH2-O 2.96Å; R889-D929 WeakPolarHBondContact CD-O 3.39Å; R889-D929 PolarHBondContact NE-O 3.28Å; R889-D929 PolarHBondContact NH1-O 2.92Å; R889-D929 PolarHBondContact NH2-O 2.72Å; R889-L930 CarbonylContact C-O 3.58Å; R889-L930 VanDerWaalsContact CA-O 3.25Å; R889-L930 WeakPolarHBondContact CA-O 3.3Å; R889-A931 PolarHBondContact NH1-O 3.07Å; R889-E932 HydrophobicContact CB-CG 3.74Å | ||
| 890 | L | 92.2 | Very high | 81.1 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 145.6 | 177.6 | -61.3 | 175.7 | 0 | 0 | 0 | 109.7 | L837 F888 H894 L896 F897 L930 E932 | L837-L890 HydrophobicContact CD2-CD1 3.93Å; F888-L890 HydrophobicContact CE1-CD2 4.02Å; F888-L890 HydrophobicContact CE1-CG 4.22Å; F888-L890 HydrophobicContact CZ-CD2 3.88Å; L890-H894 HydrophobicContact CB-CB 4.26Å; L890-L896 HydrophobicContact CD1-CD2 4.24Å; L890-F897 HydrophobicContact CB-CE2 3.83Å; L890-F897 HydrophobicContact CB-CZ 4.01Å; L890-F897 HydrophobicContact CD1-CZ 4.38Å; L890-L930 HydrophobicContact CD1-CB 4.4Å; L890-L930 HydrophobicContact CD1-CD1 4.41Å; L890-L930 PolarHBondContact N-O 3.41Å; L890-E932 PolarHBondContact O-N 2.94Å; L890-E932 VanDerWaalsContact O-N 3.1Å |
| 891 | P | 93.9 | Very high | 83.4 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | trans | -54.4 | 143.2 | 174.4 | -27.8 | 36.4 | 0 | 0 | 0 | 112.6 | N893 H894 F897 | P891-N893 WeakPolarHBondContact CB-OD1 3.45Å; P891-N893 PolarHBondContact O-N 3.27Å; P891-H894 WeakPolarHBondContact O-CB 3.34Å; P891-H894 PolarHBondContact O-N 3.38Å; P891-F897 WeakPolarHBondContact O-CD2 3.25Å; P891-F897 WeakPolarHBondContact O-CE2 3.37Å | ||
| 892 | T | 90.8 | Very high | 85.4 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.7 | -177.9 | -48.8 | 0 | 0 | 0 | 0 | 113.7 | S936 I937 | T892-S936 WeakPolarHBondContact CG2-OG 3.35Å; T892-I937 HydrophobicContact CG2-CD1 3.76Å; T892-I937 HydrophobicContact CG2-CG1 3.59Å |
| 893 | N | 91.7 | Very high | 87.5 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 71% | 0.711 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.1 | 176.6 | 65.9 | -18.3 | 0 | 0 | 0 | 114.2 | P891 | P891-N893 WeakPolarHBondContact CB-OD1 3.45Å; P891-N893 PolarHBondContact O-N 3.27Å |
| 894 | H | 95.2 | Very high | 89.4 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -58.2 | 145.9 | 179.7 | -169.2 | -91.4 | 0 | 0 | 0 | 112 | L890 P891 L896 F897 T898 | L890-H894 HydrophobicContact CB-CB 4.26Å; P891-H894 WeakPolarHBondContact O-CB 3.34Å; P891-H894 PolarHBondContact O-N 3.38Å; H894-L896 VanDerWaalsContact ND1-CB 3.32Å; H894-L896 WeakPolarHBondContact ND1-CB 3.4Å; H894-L896 PolarHBondContact ND1-N 3.48Å; H894-L896 PolarHBondContact O-N 3.21Å; H894-F897 HydrophobicContact CB-CD2 3.96Å; H894-F897 HydrophobicContact CB-CE2 4.07Å; H894-F897 PolarHBondContact O-N 3.01Å; H894-F897 VanDerWaalsContact O-N 3.08Å; H894-T898 PolarHBondContact O-N 3.42Å; H894-T898 PolarHBondContact O-OG1 3.47Å | ||
| 895 | V | 94.1 | Very high | 91 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 58% | 0.582 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.5 | -38.3 | -175.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | I841 F897 T898 R899 | I841-V895 HydrophobicContact CG2-CG1 4.1Å; V895-F897 PolarHBondContact O-N 3.38Å; V895-T898 PolarHBondContact O-N 3.39Å; V895-R899 WeakPolarHBondContact O-CB 3.48Å; V895-R899 PolarHBondContact O-N 3.31Å |
| 896 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.3 | -53.4 | 174.7 | 179.5 | 63.8 | 0 | 0 | 0 | 112.4 | L837 I841 L845 L866 L890 H894 R899 L900 I926 L930 | L837-L896 HydrophobicContact CD1-CD2 4.33Å; I841-L896 HydrophobicContact CD1-CB 3.93Å; I841-L896 HydrophobicContact CD1-CD1 4.37Å; I841-L896 HydrophobicContact CG1-CB 4.34Å; I841-L896 HydrophobicContact CG1-CD1 3.92Å; L845-L896 HydrophobicContact CD1-CD1 3.57Å; L866-L896 HydrophobicContact CD1-CD1 3.92Å; L890-L896 HydrophobicContact CD1-CD2 4.24Å; H894-L896 VanDerWaalsContact ND1-CB 3.32Å; H894-L896 WeakPolarHBondContact ND1-CB 3.4Å; H894-L896 PolarHBondContact ND1-N 3.48Å; H894-L896 PolarHBondContact O-N 3.21Å; L896-R899 WeakPolarHBondContact O-CB 3.5Å; L896-R899 PolarHBondContact O-N 3.29Å; L896-L900 HydrophobicContact CD1-CD1 4.25Å; L896-L900 HydrophobicContact CD1-CG 4.43Å; L896-L900 HydrophobicContact CG-CD1 4.3Å; L896-L900 WeakPolarHBondContact O-CG 3.23Å; L896-L900 PolarHBondContact O-N 2.78Å; L896-I926 HydrophobicContact CD2-CG2 4.22Å; L896-L930 HydrophobicContact CD2-CD1 3.82Å |
| 897 | F | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.4 | -35.3 | -175.2 | -52.5 | -47.3 | 0 | 0 | 0 | 112.1 | L890 P891 H894 V895 R899 K901 I927 L930 A931 I937 | L890-F897 HydrophobicContact CB-CE2 3.83Å; L890-F897 HydrophobicContact CB-CZ 4.01Å; L890-F897 HydrophobicContact CD1-CZ 4.38Å; P891-F897 WeakPolarHBondContact O-CD2 3.25Å; P891-F897 WeakPolarHBondContact O-CE2 3.37Å; H894-F897 HydrophobicContact CB-CD2 3.96Å; H894-F897 HydrophobicContact CB-CE2 4.07Å; H894-F897 PolarHBondContact O-N 3.01Å; H894-F897 VanDerWaalsContact O-N 3.08Å; V895-F897 PolarHBondContact O-N 3.38Å; F897-R899 PolarHBondContact O-N 3.43Å; F897-K901 WeakPolarHBondContact O-CB 3.37Å; F897-K901 WeakPolarHBondContact O-CE 3.31Å; F897-K901 VanDerWaalsContact O-CG 3.31Å; F897-K901 WeakPolarHBondContact O-CG 3.43Å; F897-K901 PolarHBondContact O-N 3.32Å; F897-I927 HydrophobicContact CD1-CB 4.48Å; F897-I927 HydrophobicContact CD1-CG1 3.94Å; F897-I927 HydrophobicContact CD1-CG2 4.44Å; F897-I927 HydrophobicContact CE1-CG1 4.44Å; F897-L930 HydrophobicContact CE1-CB 4.07Å; F897-L930 HydrophobicContact CZ-CB 3.8Å; F897-A931 HydrophobicContact CD2-CB 4.27Å; F897-A931 HydrophobicContact CE1-CB 4.01Å; F897-A931 HydrophobicContact CE2-CB 3.74Å; F897-A931 VanDerWaalsContact CZ-CA 3.43Å; F897-A931 HydrophobicContact CZ-CB 3.6Å; F897-I937 HydrophobicContact CB-CD1 3.94Å; F897-I937 HydrophobicContact CD1-CD1 4.48Å; F897-I937 HydrophobicContact CD2-CD1 4.16Å; F897-I937 HydrophobicContact CG-CD1 3.94Å |
| 898 | T | 94 | Very high | 93.3 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.7 | -43 | 170.9 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | H894 V895 T902 | H894-T898 PolarHBondContact O-N 3.42Å; H894-T898 PolarHBondContact O-OG1 3.47Å; V895-T898 PolarHBondContact O-N 3.39Å; T898-T902 PolarHBondContact O-N 3.49Å; T898-T902 VanDerWaalsContact O-N 3.11Å; T898-T902 PolarHBondContact O-OG1 2.92Å |
| 899 | R | 93.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -49.5 | 179.3 | -170.6 | 68.7 | -170.5 | 141 | 23.4 | 112.7 | L845 V895 L896 F897 K901 T902 I903 | L845-R899 HydrophobicContact CB-CG 3.82Å; L845-R899 HydrophobicContact CD1-CG 4.39Å; L845-R899 VanDerWaalsContact O-CZ 3.28Å; L845-R899 PolarHBondContact O-NE 3.41Å; L845-R899 PolarHBondContact O-NH2 3.24Å; V895-R899 WeakPolarHBondContact O-CB 3.48Å; V895-R899 PolarHBondContact O-N 3.31Å; L896-R899 WeakPolarHBondContact O-CB 3.5Å; L896-R899 PolarHBondContact O-N 3.29Å; F897-R899 PolarHBondContact O-N 3.43Å; R899-K901 VanDerWaalsContact C-N 3.32Å; R899-K901 PolarHBondContact O-N 3.35Å; R899-T902 PolarHBondContact O-N 3.17Å; R899-T902 VanDerWaalsContact O-N 3.15Å; R899-I903 HydrophobicContact CG-CD1 3.97Å; R899-I903 WeakPolarHBondContact O-CG1 3.37Å; R899-I903 PolarHBondContact O-N 2.72Å |
| 900 | L | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 178 | -68.7 | 178 | 0 | 0 | 0 | 111.7 | L845 L896 T902 I903 L904 A923 I926 I927 | L845-L900 HydrophobicContact CD1-CD2 4.09Å; L845-L900 HydrophobicContact CD1-CG 4.47Å; L845-L900 HydrophobicContact CD2-CD2 4.23Å; L896-L900 HydrophobicContact CD1-CD1 4.25Å; L896-L900 HydrophobicContact CD1-CG 4.43Å; L896-L900 HydrophobicContact CG-CD1 4.3Å; L896-L900 WeakPolarHBondContact O-CG 3.23Å; L896-L900 PolarHBondContact O-N 2.78Å; L900-T902 PolarHBondContact O-N 3.28Å; L900-I903 PolarHBondContact O-N 3.07Å; L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 VanDerWaalsContact O-CG 3.24Å; L900-L904 WeakPolarHBondContact O-CG 3.5Å; L900-L904 PolarHBondContact O-N 3.31Å; L900-A923 HydrophobicContact CD2-CB 4.1Å; L900-I926 HydrophobicContact CD1-CG2 4.49Å; L900-I927 HydrophobicContact CB-CD1 4.18Å; L900-I927 HydrophobicContact CD1-CD1 4.22Å; L900-I927 HydrophobicContact CD1-CG1 3.86Å |
| 901 | K | 95.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 19% | 0.191 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.4 | -51.4 | 172.2 | -79.6 | -175 | -69.3 | -176 | 0 | 111.7 | F897 R899 I903 L904 I905 I937 Y940 | F897-K901 WeakPolarHBondContact O-CB 3.37Å; F897-K901 WeakPolarHBondContact O-CE 3.31Å; F897-K901 VanDerWaalsContact O-CG 3.31Å; F897-K901 WeakPolarHBondContact O-CG 3.43Å; F897-K901 PolarHBondContact O-N 3.32Å; R899-K901 VanDerWaalsContact C-N 3.32Å; R899-K901 PolarHBondContact O-N 3.35Å; K901-I903 VanDerWaalsContact C-N 3.33Å; K901-I903 PolarHBondContact O-N 3.39Å; K901-L904 PolarHBondContact O-N 3Å; K901-I905 WeakPolarHBondContact O-CB 3.48Å; K901-I905 WeakPolarHBondContact O-CD1 3.38Å; K901-I905 VanDerWaalsContact O-CG1 3.25Å; K901-I905 WeakPolarHBondContact O-CG1 3.44Å; K901-I905 PolarHBondContact O-N 3.28Å; K901-I937 HydrophobicContact CD-CG2 3.87Å; K901-I937 HydrophobicContact CG-CG2 3.78Å; K901-Y940 HydrophobicContact CD-CD1 3.65Å; K901-Y940 HydrophobicContact CD-CE1 4.01Å; K901-Y940 HydrophobicContact CG-CD1 4.48Å |
| 902 | T | 93.3 | Very high | 92.3 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | -179.9 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | T898 R899 L900 S906 | T898-T902 PolarHBondContact O-N 3.49Å; T898-T902 VanDerWaalsContact O-N 3.11Å; T898-T902 PolarHBondContact O-OG1 2.92Å; R899-T902 PolarHBondContact O-N 3.17Å; R899-T902 VanDerWaalsContact O-N 3.15Å; L900-T902 PolarHBondContact O-N 3.28Å; T902-S906 WeakPolarHBondContact O-CB 3.24Å; T902-S906 PolarHBondContact O-N 3.44Å; T902-S906 PolarHBondContact O-OG 2.94Å |
| 903 | I | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -52.5 | 177.6 | -66.5 | 166 | 0 | 0 | 0 | 110.3 | L845 I854 V859 R899 L900 K901 I905 S906 T907 M919 | L845-I903 HydrophobicContact CB-CD1 4.16Å; I854-I903 HydrophobicContact CD1-CG1 4.24Å; I854-I903 HydrophobicContact CG2-CG2 4.15Å; V859-I903 HydrophobicContact CG1-CD1 4.38Å; V859-I903 HydrophobicContact CG1-CG2 4.48Å; V859-I903 HydrophobicContact CG2-CD1 4.11Å; R899-I903 HydrophobicContact CG-CD1 3.97Å; R899-I903 WeakPolarHBondContact O-CG1 3.37Å; R899-I903 PolarHBondContact O-N 2.72Å; L900-I903 PolarHBondContact O-N 3.07Å; K901-I903 VanDerWaalsContact C-N 3.33Å; K901-I903 PolarHBondContact O-N 3.39Å; I903-I905 VanDerWaalsContact C-N 3.35Å; I903-I905 PolarHBondContact O-N 2.97Å; I903-S906 PolarHBondContact O-N 3.36Å; I903-S906 PolarHBondContact O-OG 2.95Å; I903-T907 HydrophobicContact CG2-CG2 4.32Å; I903-T907 WeakPolarHBondContact O-CB 3.33Å; I903-T907 VanDerWaalsContact O-CG2 3.26Å; I903-T907 WeakPolarHBondContact O-CG2 3.32Å; I903-T907 PolarHBondContact O-N 3.49Å; I903-T907 PolarHBondContact O-OG1 3Å; I903-M919 HydrophobicContact CG2-CE 4.34Å; I903-M919 HydrophobicContact CG2-SD 4.32Å |
| 904 | L | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | -177.9 | -69.6 | 166.4 | 0 | 0 | 0 | 111.7 | L900 K901 V908 W916 M919 M920 A923 L941 | L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 VanDerWaalsContact O-CG 3.24Å; L900-L904 WeakPolarHBondContact O-CG 3.5Å; L900-L904 PolarHBondContact O-N 3.31Å; K901-L904 PolarHBondContact O-N 3Å; L904-V908 WeakPolarHBondContact O-CB 3.49Å; L904-V908 PolarHBondContact O-N 3.06Å; L904-W916 HydrophobicContact CD2-CZ2 4.43Å; L904-M919 HydrophobicContact CD2-CE 3.83Å; L904-M919 HydrophobicContact CD2-SD 3.94Å; L904-M920 HydrophobicContact CD2-CB 3.78Å; L904-M920 HydrophobicContact CD2-CG 3.91Å; L904-A923 HydrophobicContact CD1-CB 4.28Å; L904-A923 HydrophobicContact CD2-CB 4.38Å; L904-L941 HydrophobicContact CB-CD1 3.84Å; L904-L941 HydrophobicContact CD1-CD1 4.47Å; L904-L941 HydrophobicContact CD1-CD2 3.78Å |
| 905 | I | 94.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.4 | -40.4 | -178.4 | -64.5 | 166.1 | 0 | 0 | 0 | 112.1 | K901 I903 V908 Y940 L941 | K901-I905 WeakPolarHBondContact O-CB 3.48Å; K901-I905 WeakPolarHBondContact O-CD1 3.38Å; K901-I905 VanDerWaalsContact O-CG1 3.25Å; K901-I905 WeakPolarHBondContact O-CG1 3.44Å; K901-I905 PolarHBondContact O-N 3.28Å; I903-I905 VanDerWaalsContact C-N 3.35Å; I903-I905 PolarHBondContact O-N 2.97Å; I905-V908 WeakPolarHBondContact O-CG1 3.48Å; I905-Y940 HydrophobicContact CD1-CD1 4.2Å; I905-Y940 HydrophobicContact CD1-CE1 3.58Å; I905-L941 HydrophobicContact CD1-CD1 4.17Å; I905-L941 HydrophobicContact CG1-CD1 3.56Å |
| 906 | S | 90.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73 | -31.3 | -178.3 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | T902 I903 | T902-S906 WeakPolarHBondContact O-CB 3.24Å; T902-S906 PolarHBondContact O-N 3.44Å; T902-S906 PolarHBondContact O-OG 2.94Å; I903-S906 PolarHBondContact O-N 3.36Å; I903-S906 PolarHBondContact O-OG 2.95Å |
| 907 | T | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -93 | -19.6 | -174.3 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | I854 L856 I903 S909 Q910 W916 | I854-T907 HydrophobicContact CB-CG2 4.33Å; I854-T907 HydrophobicContact CD1-CG2 3.83Å; L856-T907 HydrophobicContact CD2-CG2 3.9Å; I903-T907 HydrophobicContact CG2-CG2 4.32Å; I903-T907 WeakPolarHBondContact O-CB 3.33Å; I903-T907 VanDerWaalsContact O-CG2 3.26Å; I903-T907 WeakPolarHBondContact O-CG2 3.32Å; I903-T907 PolarHBondContact O-N 3.49Å; I903-T907 PolarHBondContact O-OG1 3Å; T907-S909 VanDerWaalsContact C-N 3.25Å; T907-S909 PolarHBondContact O-N 3.35Å; T907-Q910 WeakPolarHBondContact O-CB 3.4Å; T907-Q910 PolarHBondContact O-N 2.99Å; T907-W916 VanDerWaalsContact OG1-CD1 3.29Å; T907-W916 PolarHBondContact OG1-NE1 3.14Å |
| 908 | V | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.3 | -176.1 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | L904 I905 W916 T945 L1018 R1021 | L904-V908 WeakPolarHBondContact O-CB 3.49Å; L904-V908 PolarHBondContact O-N 3.06Å; I905-V908 WeakPolarHBondContact O-CG1 3.48Å; V908-W916 HydrophobicContact CB-CH2 4.46Å; V908-W916 HydrophobicContact CB-CZ2 3.61Å; V908-W916 HydrophobicContact CG2-CH2 3.78Å; V908-W916 HydrophobicContact CG2-CZ2 3.41Å; V908-W916 VanDerWaalsContact CG2-CZ2 3.41Å; V908-T945 HydrophobicContact CG1-CG2 4.17Å; V908-T945 HydrophobicContact CG2-CG2 3.82Å; V908-L1018 HydrophobicContact CG1-CD1 4.43Å; V908-L1018 HydrophobicContact CG2-CD1 3.93Å; V908-R1021 HydrophobicContact CG2-CB 4.15Å; V908-R1021 PolarHBondContact O-NH1 3.2Å |
| 909 | S | 89.7 | Confident | 91.9 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.8 | -179.8 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | T907 | T907-S909 VanDerWaalsContact C-N 3.25Å; T907-S909 PolarHBondContact O-N 3.35Å |
| 910 | Q | 88.8 | Confident | 92.1 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | trans | -77.9 | 125.7 | -178.8 | -66 | -175.6 | -5.7 | 0 | 0 | 110.9 | T907 Q913 R1021 | T907-Q910 WeakPolarHBondContact O-CB 3.4Å; T907-Q910 PolarHBondContact O-N 2.99Å; Q910-Q913 HydrophobicContact CB-CG 3.88Å; Q910-R1021 PolarHBondContact O-NH1 2.96Å; Q910-R1021 PolarHBondContact O-NH2 3.08Å | ||
| 911 | P | 82.6 | Confident | 92.2 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 163.1 | 177.1 | 29 | -34.2 | 0 | 0 | 0 | 111.3 | Q913 F1017 | P911-Q913 PolarHBondContact O-N 3.09Å; P911-F1017 HydrophobicContact CB-CE1 4.38Å; P911-F1017 HydrophobicContact CB-CZ 4.28Å |
| 912 | N | 80.7 | Confident | 92.3 | Very high | 154 Ų | 154 | 45.2 Ų | 45.2 | 82% | 0.824 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 8.8 | 174.5 | -56 | -18.4 | 0 | 0 | 0 | 117.3 | V914 | N912-V914 PolarHBondContact O-N 3.43Å; N912-V914 VanDerWaalsContact O-N 3.11Å |
| 913 | Q | 86 | Confident | 92.5 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | trans | -80.5 | 83.3 | 172.1 | -59.8 | -69.3 | 1.8 | 0 | 0 | 111.7 | L856 Q910 P911 L915 W916 R1021 | L856-Q913 HydrophobicContact CD1-CB 3.79Å; L856-Q913 HydrophobicContact CD1-CG 4.02Å; L856-Q913 VanDerWaalsContact CD1-OE1 3.22Å; Q910-Q913 HydrophobicContact CB-CG 3.88Å; P911-Q913 PolarHBondContact O-N 3.09Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; Q913-W916 HydrophobicContact CB-CB 4.11Å; Q913-W916 WeakPolarHBondContact O-CB 3.27Å; Q913-W916 PolarHBondContact O-N 2.92Å; Q913-R1021 PolarHBondContact O-NH2 2.93Å | ||
| 914 | V | 86.9 | Confident | 92.6 | Very high | 132 Ų | 132 | 41.9 Ų | 41.9 | 80% | 0.8 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -35.4 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | N912 W916 | N912-V914 PolarHBondContact O-N 3.43Å; N912-V914 VanDerWaalsContact O-N 3.11Å; V914-W916 PolarHBondContact O-N 3.33Å |
| 915 | L | 91.6 | Very high | 92.6 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.4 | -179.4 | -64.4 | 177.8 | 0 | 0 | 0 | 114.5 | L856 E857 Q913 V917 P918 M919 | L856-L915 HydrophobicContact CB-CB 4.35Å; E857-L915 HydrophobicContact CB-CD1 3.85Å; E857-L915 HydrophobicContact CG-CD1 4.36Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; L915-V917 PolarHBondContact O-N 3.03Å; L915-P918 WeakPolarHBondContact O-CD 3.5Å; L915-M919 VanDerWaalsContact O-CB 3.25Å; L915-M919 WeakPolarHBondContact O-CB 3.47Å; L915-M919 PolarHBondContact O-N 3.12Å |
| 916 | W | 96.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | -176.1 | -171.3 | 91.3 | 0 | 0 | 0 | 112.7 | L856 L904 T907 V908 Q913 V914 M919 M920 R1021 L1025 | L856-W916 HydrophobicContact CD1-CB 4.16Å; L904-W916 HydrophobicContact CD2-CZ2 4.43Å; T907-W916 VanDerWaalsContact OG1-CD1 3.29Å; T907-W916 PolarHBondContact OG1-NE1 3.14Å; V908-W916 HydrophobicContact CB-CH2 4.46Å; V908-W916 HydrophobicContact CB-CZ2 3.61Å; V908-W916 HydrophobicContact CG2-CH2 3.78Å; V908-W916 HydrophobicContact CG2-CZ2 3.41Å; V908-W916 VanDerWaalsContact CG2-CZ2 3.41Å; Q913-W916 HydrophobicContact CB-CB 4.11Å; Q913-W916 WeakPolarHBondContact O-CB 3.27Å; Q913-W916 PolarHBondContact O-N 2.92Å; V914-W916 PolarHBondContact O-N 3.33Å; W916-M919 HydrophobicContact CG-CE 4.39Å; W916-M920 HydrophobicContact CD2-CB 4.46Å; W916-M920 HydrophobicContact CE3-CB 4.12Å; W916-M920 HydrophobicContact CH2-CB 4.16Å; W916-M920 HydrophobicContact CH2-CG 3.86Å; W916-M920 HydrophobicContact CZ2-CB 4.46Å; W916-M920 HydrophobicContact CZ2-CG 4.43Å; W916-M920 HydrophobicContact CZ3-CB 3.96Å; W916-M920 HydrophobicContact CZ3-CE 4.13Å; W916-M920 HydrophobicContact CZ3-CG 3.94Å; W916-M920 WeakPolarHBondContact O-CB 3.37Å; W916-M920 PolarHBondContact O-N 3.19Å; W916-R1021 HydrophobicContact CD2-CB 4.49Å; W916-R1021 HydrophobicContact CD2-CG 4.1Å; W916-R1021 HydrophobicContact CE3-CB 3.76Å; W916-R1021 HydrophobicContact CE3-CG 3.5Å; W916-R1021 VanDerWaalsContact CE3-CG 3.5Å; W916-R1021 HydrophobicContact CH2-CB 4.18Å; W916-R1021 HydrophobicContact CZ3-CB 3.57Å; W916-R1021 HydrophobicContact CZ3-CG 3.89Å; W916-L1025 HydrophobicContact CH2-CB 4.47Å |
| 917 | V | 95.6 | Very high | 93 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -52.6 | 179.9 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L915 M919 M920 E921 R1021 A1024 | L915-V917 PolarHBondContact O-N 3.03Å; V917-M919 VanDerWaalsContact C-N 3.31Å; V917-M919 PolarHBondContact O-N 3.32Å; V917-M920 HydrophobicContact CG1-CE 4.25Å; V917-M920 WeakPolarHBondContact O-CB 3.41Å; V917-M920 PolarHBondContact O-N 3.16Å; V917-M920 VanDerWaalsContact O-N 3.14Å; V917-E921 HydrophobicContact CG1-CG 4.41Å; V917-E921 WeakPolarHBondContact O-CG 3.2Å; V917-E921 PolarHBondContact O-N 3.03Å; V917-R1021 HydrophobicContact CG2-CG 4.36Å; V917-A1024 HydrophobicContact CG1-CB 4.4Å; V917-A1024 HydrophobicContact CG2-CB 4.28Å |
| 918 | P | 96.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.5 | -41.9 | 174.2 | -27.4 | 33.5 | 0 | 0 | 0 | 114.1 | K860 L915 E921 Q922 | K860-P918 HydrophobicContact CD-CB 4.42Å; L915-P918 WeakPolarHBondContact O-CD 3.5Å; P918-E921 PolarHBondContact O-N 3.18Å; P918-Q922 WeakPolarHBondContact O-CG 3.25Å; P918-Q922 PolarHBondContact O-N 3.46Å |
| 919 | M | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 176.3 | 179.6 | -79.8 | -58.4 | 0 | 0 | 111.3 | L856 V859 K860 I903 L904 L915 W916 V917 E921 Q922 A923 | L856-M919 HydrophobicContact CB-CB 4.47Å; L856-M919 HydrophobicContact CB-CG 4.41Å; L856-M919 HydrophobicContact CD2-CE 4.05Å; V859-M919 HydrophobicContact CB-CG 4.13Å; V859-M919 HydrophobicContact CG1-CG 3.75Å; V859-M919 HydrophobicContact CG1-SD 3.86Å; K860-M919 HydrophobicContact CB-CB 4.25Å; K860-M919 HydrophobicContact CB-CG 4.45Å; I903-M919 HydrophobicContact CG2-CE 4.34Å; I903-M919 HydrophobicContact CG2-SD 4.32Å; L904-M919 HydrophobicContact CD2-CE 3.83Å; L904-M919 HydrophobicContact CD2-SD 3.94Å; L915-M919 VanDerWaalsContact O-CB 3.25Å; L915-M919 WeakPolarHBondContact O-CB 3.47Å; L915-M919 PolarHBondContact O-N 3.12Å; W916-M919 HydrophobicContact CG-CE 4.39Å; V917-M919 VanDerWaalsContact C-N 3.31Å; V917-M919 PolarHBondContact O-N 3.32Å; M919-E921 VanDerWaalsContact C-N 3.33Å; M919-E921 PolarHBondContact O-N 2.97Å; M919-Q922 PolarHBondContact O-N 3.17Å; M919-A923 WeakPolarHBondContact O-CB 3.39Å; M919-A923 PolarHBondContact O-N 3.34Å; M919-A923 HydrophobicContact SD-CB 4.35Å |
| 920 | M | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 176.6 | 174.7 | -82 | -68 | 0 | 0 | 111.7 | L904 W916 V917 Q922 A923 I924 A1024 L1025 H1028 | L904-M920 HydrophobicContact CD2-CB 3.78Å; L904-M920 HydrophobicContact CD2-CG 3.91Å; W916-M920 HydrophobicContact CD2-CB 4.46Å; W916-M920 HydrophobicContact CE3-CB 4.12Å; W916-M920 HydrophobicContact CH2-CB 4.16Å; W916-M920 HydrophobicContact CH2-CG 3.86Å; W916-M920 HydrophobicContact CZ2-CB 4.46Å; W916-M920 HydrophobicContact CZ2-CG 4.43Å; W916-M920 HydrophobicContact CZ3-CB 3.96Å; W916-M920 HydrophobicContact CZ3-CE 4.13Å; W916-M920 HydrophobicContact CZ3-CG 3.94Å; W916-M920 WeakPolarHBondContact O-CB 3.37Å; W916-M920 PolarHBondContact O-N 3.19Å; V917-M920 HydrophobicContact CG1-CE 4.25Å; V917-M920 WeakPolarHBondContact O-CB 3.41Å; V917-M920 PolarHBondContact O-N 3.16Å; V917-M920 VanDerWaalsContact O-N 3.14Å; M920-Q922 VanDerWaalsContact C-N 3.34Å; M920-Q922 PolarHBondContact O-N 2.84Å; M920-A923 PolarHBondContact O-N 3.26Å; M920-I924 HydrophobicContact CG-CD1 3.87Å; M920-I924 HydrophobicContact CG-CG1 4.34Å; M920-I924 WeakPolarHBondContact O-CB 3.32Å; M920-I924 WeakPolarHBondContact O-CG1 3.45Å; M920-I924 PolarHBondContact O-N 2.87Å; M920-I924 HydrophobicContact SD-CD1 3.41Å; M920-I924 WeakPolarHBondContact SD-CD1 3.41Å; M920-I924 HydrophobicContact SD-CG1 4.16Å; M920-A1024 HydrophobicContact CE-CB 4.25Å; M920-L1025 HydrophobicContact CG-CD1 3.95Å; M920-L1025 HydrophobicContact SD-CD1 3.98Å; M920-H1028 HydrophobicContact CE-CB 4.28Å; M920-H1028 HydrophobicContact SD-CB 4.18Å |
| 921 | E | 97.7 | Very high | 93.5 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | -178.7 | -71.8 | -174.9 | 151.2 | 0 | 0 | 112.5 | V917 P918 M919 S925 H1028 K1159 | V917-E921 HydrophobicContact CG1-CG 4.41Å; V917-E921 WeakPolarHBondContact O-CG 3.2Å; V917-E921 PolarHBondContact O-N 3.03Å; P918-E921 PolarHBondContact O-N 3.18Å; M919-E921 VanDerWaalsContact C-N 3.33Å; M919-E921 PolarHBondContact O-N 2.97Å; E921-S925 PolarHBondContact O-N 3.35Å; E921-S925 VanDerWaalsContact O-N 3.16Å; E921-H1028 VanDerWaalsContact CA-NE2 3.33Å; E921-H1028 WeakPolarHBondContact CA-NE2 3.43Å; E921-H1028 PolarHBondContact O-NE2 3.43Å; E921-H1028 IonicContact OE1-ND1 3.57Å; E921-K1159 IonicContact OE1-NZ 3.89Å |
| 922 | Q | 96.5 | Very high | 93.9 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.3 | -47.8 | 175.2 | -61.4 | -55 | -29.1 | 0 | 0 | 111.5 | K860 C863 E864 P918 M919 M920 I924 S925 I926 | K860-Q922 HydrophobicContact CG-CG 4.04Å; C863-Q922 HydrophobicContact CB-CB 3.81Å; E864-Q922 HydrophobicContact CG-CG 4.02Å; P918-Q922 WeakPolarHBondContact O-CG 3.25Å; P918-Q922 PolarHBondContact O-N 3.46Å; M919-Q922 PolarHBondContact O-N 3.17Å; M920-Q922 VanDerWaalsContact C-N 3.34Å; M920-Q922 PolarHBondContact O-N 2.84Å; Q922-I924 VanDerWaalsContact C-N 3.33Å; Q922-I924 PolarHBondContact O-N 2.74Å; Q922-S925 WeakPolarHBondContact O-CB 3.42Å; Q922-S925 PolarHBondContact O-N 2.87Å; Q922-S925 VanDerWaalsContact O-N 3.1Å; Q922-I926 WeakPolarHBondContact O-CG1 3.48Å; Q922-I926 PolarHBondContact O-N 2.84Å |
| 923 | A | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L900 L904 M919 M920 I926 I927 | L900-A923 HydrophobicContact CD2-CB 4.1Å; L904-A923 HydrophobicContact CD1-CB 4.28Å; L904-A923 HydrophobicContact CD2-CB 4.38Å; M919-A923 WeakPolarHBondContact O-CB 3.39Å; M919-A923 PolarHBondContact O-N 3.34Å; M919-A923 HydrophobicContact SD-CB 4.35Å; M920-A923 PolarHBondContact O-N 3.26Å; A923-I926 PolarHBondContact O-N 2.93Å; A923-I927 WeakPolarHBondContact O-CG1 3.45Å; A923-I927 PolarHBondContact O-N 2.89Å; A923-I927 VanDerWaalsContact O-N 3.08Å |
| 924 | I | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 176.6 | -69.6 | -173.8 | 0 | 0 | 0 | 111 | M920 Q922 I926 I927 Y928 M938 L941 L1025 I1029 K1032 | M920-I924 HydrophobicContact CG-CD1 3.87Å; M920-I924 HydrophobicContact CG-CG1 4.34Å; M920-I924 WeakPolarHBondContact O-CB 3.32Å; M920-I924 WeakPolarHBondContact O-CG1 3.45Å; M920-I924 PolarHBondContact O-N 2.87Å; M920-I924 HydrophobicContact SD-CD1 3.41Å; M920-I924 WeakPolarHBondContact SD-CD1 3.41Å; M920-I924 HydrophobicContact SD-CG1 4.16Å; Q922-I924 VanDerWaalsContact C-N 3.33Å; Q922-I924 PolarHBondContact O-N 2.74Å; I924-I926 VanDerWaalsContact C-N 3.3Å; I924-I926 PolarHBondContact O-N 2.95Å; I924-I927 PolarHBondContact O-N 3.04Å; I924-Y928 HydrophobicContact CG2-CD2 3.61Å; I924-Y928 HydrophobicContact CG2-CE2 3.72Å; I924-Y928 WeakPolarHBondContact O-CD2 3.39Å; I924-Y928 PolarHBondContact O-N 2.74Å; I924-M938 HydrophobicContact CD1-SD 4.14Å; I924-M938 HydrophobicContact CG1-CE 4.4Å; I924-M938 HydrophobicContact CG1-SD 4.21Å; I924-M938 HydrophobicContact CG2-CE 4.48Å; I924-M938 HydrophobicContact CG2-SD 4.15Å; I924-L941 HydrophobicContact CD1-CD2 4.37Å; I924-L1025 HydrophobicContact CD1-CD1 3.45Å; I924-L1025 VanDerWaalsContact CD1-CD1 3.45Å; I924-I1029 HydrophobicContact CD1-CD1 4.24Å; I924-I1029 HydrophobicContact CD1-CG1 3.73Å; I924-K1032 HydrophobicContact CG2-CB 4.31Å; I924-K1032 HydrophobicContact CG2-CG 4.12Å |
| 925 | S | 95.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 174.5 | -155.5 | 0 | 0 | 0 | 0 | 111.2 | E921 Q922 I927 Y928 D929 K1032 | E921-S925 PolarHBondContact O-N 3.35Å; E921-S925 VanDerWaalsContact O-N 3.16Å; Q922-S925 WeakPolarHBondContact O-CB 3.42Å; Q922-S925 PolarHBondContact O-N 2.87Å; Q922-S925 VanDerWaalsContact O-N 3.1Å; S925-I927 VanDerWaalsContact C-N 3.32Å; S925-I927 PolarHBondContact O-N 2.7Å; S925-Y928 PolarHBondContact O-N 2.84Å; S925-Y928 VanDerWaalsContact O-N 3.13Å; S925-D929 WeakPolarHBondContact O-CB 3.26Å; S925-D929 PolarHBondContact O-N 3.41Å; S925-D929 VanDerWaalsContact O-OD2 3.11Å; S925-K1032 PolarHBondContact OG-NZ 3.45Å |
| 926 | I | 95.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 178.5 | -60.6 | -47.8 | 0 | 0 | 0 | 112.7 | C863 L866 L896 L900 Q922 A923 I924 D929 L930 | C863-I926 HydrophobicContact CB-CG1 3.81Å; C863-I926 VanDerWaalsContact O-CD1 3.23Å; C863-I926 WeakPolarHBondContact O-CD1 3.24Å; C863-I926 WeakPolarHBondContact O-CG1 3.08Å; L866-I926 HydrophobicContact CB-CD1 4.16Å; L866-I926 HydrophobicContact CB-CG1 4.41Å; L866-I926 HydrophobicContact CB-CG2 4.36Å; L866-I926 HydrophobicContact CD1-CG2 4.33Å; L896-I926 HydrophobicContact CD2-CG2 4.22Å; L900-I926 HydrophobicContact CD1-CG2 4.49Å; Q922-I926 WeakPolarHBondContact O-CG1 3.48Å; Q922-I926 PolarHBondContact O-N 2.84Å; A923-I926 PolarHBondContact O-N 2.93Å; I924-I926 VanDerWaalsContact C-N 3.3Å; I924-I926 PolarHBondContact O-N 2.95Å; I926-D929 PolarHBondContact O-N 3.37Å; I926-L930 HydrophobicContact CG2-CD1 3.77Å; I926-L930 HydrophobicContact CG2-CG 4.49Å; I926-L930 WeakPolarHBondContact O-CB 3.31Å; I926-L930 PolarHBondContact O-N 3.41Å |
| 927 | I | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 175 | -65.1 | 163.7 | 0 | 0 | 0 | 110.4 | F897 L900 A923 I924 S925 D929 A931 P934 I937 M938 | F897-I927 HydrophobicContact CD1-CB 4.48Å; F897-I927 HydrophobicContact CD1-CG1 3.94Å; F897-I927 HydrophobicContact CD1-CG2 4.44Å; F897-I927 HydrophobicContact CE1-CG1 4.44Å; L900-I927 HydrophobicContact CB-CD1 4.18Å; L900-I927 HydrophobicContact CD1-CD1 4.22Å; L900-I927 HydrophobicContact CD1-CG1 3.86Å; A923-I927 WeakPolarHBondContact O-CG1 3.45Å; A923-I927 PolarHBondContact O-N 2.89Å; A923-I927 VanDerWaalsContact O-N 3.08Å; I924-I927 PolarHBondContact O-N 3.04Å; S925-I927 VanDerWaalsContact C-N 3.32Å; S925-I927 PolarHBondContact O-N 2.7Å; I927-D929 VanDerWaalsContact C-N 3.33Å; I927-D929 PolarHBondContact O-N 3.01Å; I927-A931 HydrophobicContact CG2-CB 4.14Å; I927-A931 WeakPolarHBondContact O-CB 3.4Å; I927-A931 PolarHBondContact O-N 3.04Å; I927-P934 HydrophobicContact CG2-CB 4.1Å; I927-I937 HydrophobicContact CD1-CG2 4.31Å; I927-I937 HydrophobicContact CG2-CB 4.26Å; I927-I937 HydrophobicContact CG2-CD1 3.8Å; I927-I937 HydrophobicContact CG2-CG2 4.07Å; I927-M938 HydrophobicContact CB-CE 3.81Å; I927-M938 HydrophobicContact CD1-CE 3.6Å; I927-M938 HydrophobicContact CG1-CE 4.28Å; I927-M938 HydrophobicContact CG2-CE 3.43Å; I927-M938 VanDerWaalsContact CG2-CE 3.43Å |
| 928 | Y | 95.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -30.5 | 177.6 | -87.8 | -77.6 | 0 | 0 | 0 | 113.8 | R889 I924 S925 P934 M938 I1029 K1032 Q1033 F1036 | R889-Y928 PolarHBondContact NH1-O 3.06Å; R889-Y928 PolarHBondContact NH2-O 2.96Å; I924-Y928 HydrophobicContact CG2-CD2 3.61Å; I924-Y928 HydrophobicContact CG2-CE2 3.72Å; I924-Y928 WeakPolarHBondContact O-CD2 3.39Å; I924-Y928 PolarHBondContact O-N 2.74Å; S925-Y928 PolarHBondContact O-N 2.84Å; S925-Y928 VanDerWaalsContact O-N 3.13Å; Y928-P934 HydrophobicContact CD1-CB 3.7Å; Y928-P934 HydrophobicContact CD1-CG 3.65Å; Y928-P934 HydrophobicContact CE1-CB 3.88Å; Y928-P934 HydrophobicContact CE1-CG 3.85Å; Y928-P934 HydrophobicContact CG-CB 4.11Å; Y928-P934 HydrophobicContact CG-CG 4.46Å; Y928-M938 HydrophobicContact CE2-CG 3.76Å; Y928-M938 HydrophobicContact CE2-SD 4.17Å; Y928-I1029 PolarHBondContact OH-O 3.34Å; Y928-K1032 HydrophobicContact CD2-CB 3.5Å; Y928-K1032 HydrophobicContact CD2-CG 4.3Å; Y928-K1032 HydrophobicContact CE2-CB 3.45Å; Y928-K1032 VanDerWaalsContact CE2-CB 3.45Å; Y928-K1032 HydrophobicContact CG-CB 4.07Å; Y928-Q1033 HydrophobicContact CE1-CB 4.43Å; Y928-Q1033 VanDerWaalsContact CE1-OE1 3.25Å; Y928-Q1033 WeakPolarHBondContact OH-CB 3.35Å; Y928-Q1033 PolarHBondContact OH-OE1 3.3Å; Y928-F1036 HydrophobicContact CD1-CB 3.52Å; Y928-F1036 HydrophobicContact CD1-CD1 4.32Å; Y928-F1036 AromaticContact CD1-CD2 3.91Å; Y928-F1036 HydrophobicContact CD1-CD2 3.91Å; Y928-F1036 AromaticContact CD1-CG 3.66Å; Y928-F1036 HydrophobicContact CD1-CG 3.66Å; Y928-F1036 HydrophobicContact CE1-CB 3.81Å; Y928-F1036 HydrophobicContact CE1-CD1 4.33Å; Y928-F1036 HydrophobicContact CE1-CG 4.04Å |
| 929 | D | 91 | Very high | 95 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 34% | 0.337 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -77.3 | -38.2 | 178.9 | -67.3 | -31.6 | 0 | 0 | 0 | 112 | V870 R889 S925 I926 I927 | V870-D929 HydrophobicContact CG2-CB 4.38Å; R889-D929 WeakPolarHBondContact CD-O 3.39Å; R889-D929 PolarHBondContact NE-O 3.28Å; R889-D929 PolarHBondContact NH1-O 2.92Å; R889-D929 PolarHBondContact NH2-O 2.72Å; S925-D929 WeakPolarHBondContact O-CB 3.26Å; S925-D929 PolarHBondContact O-N 3.41Å; S925-D929 VanDerWaalsContact O-OD2 3.11Å; I926-D929 PolarHBondContact O-N 3.37Å; I927-D929 VanDerWaalsContact C-N 3.33Å; I927-D929 PolarHBondContact O-N 3.01Å |
| 930 | L | 92.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -107.5 | -27.1 | -170.8 | -66.5 | 174.9 | 0 | 0 | 0 | 115.2 | I833 V870 F888 R889 L890 L896 F897 I926 | I833-L930 HydrophobicContact CD1-CD1 4.37Å; I833-L930 HydrophobicContact CD1-CD2 4.08Å; V870-L930 HydrophobicContact CG1-CD2 4.24Å; V870-L930 HydrophobicContact CG2-CD2 3.98Å; V870-L930 HydrophobicContact CG2-CG 4.29Å; F888-L930 HydrophobicContact CD1-CD2 3.76Å; F888-L930 HydrophobicContact CE1-CD2 3.99Å; R889-L930 CarbonylContact C-O 3.58Å; R889-L930 VanDerWaalsContact CA-O 3.25Å; R889-L930 WeakPolarHBondContact CA-O 3.3Å; L890-L930 HydrophobicContact CD1-CB 4.4Å; L890-L930 HydrophobicContact CD1-CD1 4.41Å; L890-L930 PolarHBondContact N-O 3.41Å; L896-L930 HydrophobicContact CD2-CD1 3.82Å; F897-L930 HydrophobicContact CE1-CB 4.07Å; F897-L930 HydrophobicContact CZ-CB 3.8Å; I926-L930 HydrophobicContact CG2-CD1 3.77Å; I926-L930 HydrophobicContact CG2-CG 4.49Å; I926-L930 WeakPolarHBondContact O-CB 3.31Å; I926-L930 PolarHBondContact O-N 3.41Å |
| 931 | A | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 145.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R889 F897 I927 P934 I937 | R889-A931 PolarHBondContact NH1-O 3.07Å; F897-A931 HydrophobicContact CD2-CB 4.27Å; F897-A931 HydrophobicContact CE1-CB 4.01Å; F897-A931 HydrophobicContact CE2-CB 3.74Å; F897-A931 VanDerWaalsContact CZ-CA 3.43Å; F897-A931 HydrophobicContact CZ-CB 3.6Å; I927-A931 HydrophobicContact CG2-CB 4.14Å; I927-A931 WeakPolarHBondContact O-CB 3.4Å; I927-A931 PolarHBondContact O-N 3.04Å; A931-P934 HydrophobicContact CB-CB 4.27Å; A931-I937 HydrophobicContact CB-CD1 3.82Å |
| 932 | E | 91.2 | Very high | 94.7 | Very high | 104 Ų | 104 | 28.8 Ų | 28.8 | 49% | 0.486 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -68.1 | -36.5 | 170.3 | -74.1 | -176.2 | 151.9 | 0 | 0 | 112.7 | R889 L890 | R889-E932 HydrophobicContact CB-CG 3.74Å; L890-E932 PolarHBondContact O-N 2.94Å; L890-E932 VanDerWaalsContact O-N 3.1Å |
| 933 | A | 91.4 | Very high | 94.6 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | trans | -133.3 | 75 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D935 S936 | A933-D935 VanDerWaalsContact C-N 3.32Å; A933-D935 WeakPolarHBondContact CA-OD1 3.38Å; A933-D935 PolarHBondContact O-N 2.88Å; A933-S936 PolarHBondContact O-N 3.33Å; A933-S936 PolarHBondContact O-OG 3.07Å | ||
| 934 | P | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -32.8 | -176.7 | 26.1 | -33.7 | 0 | 0 | 0 | 113.2 | I927 Y928 A931 S936 I937 M938 F1036 | I927-P934 HydrophobicContact CG2-CB 4.1Å; Y928-P934 HydrophobicContact CD1-CB 3.7Å; Y928-P934 HydrophobicContact CD1-CG 3.65Å; Y928-P934 HydrophobicContact CE1-CB 3.88Å; Y928-P934 HydrophobicContact CE1-CG 3.85Å; Y928-P934 HydrophobicContact CG-CB 4.11Å; Y928-P934 HydrophobicContact CG-CG 4.46Å; A931-P934 HydrophobicContact CB-CB 4.27Å; P934-S936 PolarHBondContact O-N 2.8Å; P934-I937 WeakPolarHBondContact O-CB 3.5Å; P934-I937 PolarHBondContact O-N 3.33Å; P934-I937 VanDerWaalsContact O-N 3.12Å; P934-M938 WeakPolarHBondContact O-CG 3.41Å; P934-M938 PolarHBondContact O-N 3.05Å; P934-F1036 HydrophobicContact CG-CD1 4.2Å; P934-F1036 HydrophobicContact CG-CD2 4.31Å; P934-F1036 HydrophobicContact CG-CE1 3.85Å; P934-F1036 HydrophobicContact CG-CE2 3.99Å; P934-F1036 HydrophobicContact CG-CG 4.42Å; P934-F1036 HydrophobicContact CG-CZ 3.74Å |
| 935 | D | 91.8 | Very high | 94.2 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -53.2 | -46.2 | 174.8 | 60.1 | -27 | 0 | 0 | 0 | 112.9 | A933 I937 M938 C939 | A933-D935 VanDerWaalsContact C-N 3.32Å; A933-D935 WeakPolarHBondContact CA-OD1 3.38Å; A933-D935 PolarHBondContact O-N 2.88Å; D935-I937 VanDerWaalsContact C-N 3.29Å; D935-I937 PolarHBondContact O-N 3.39Å; D935-M938 PolarHBondContact O-N 3.4Å; D935-C939 WeakPolarHBondContact O-CB 3.11Å; D935-C939 PolarHBondContact O-N 2.9Å; D935-C939 PolarHBondContact O-SG 3.43Å; D935-C939 VanDerWaalsContact O-SG 3.4Å |
| 936 | S | 93.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.6 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | T892 A933 P934 Y940 | T892-S936 WeakPolarHBondContact CG2-OG 3.35Å; A933-S936 PolarHBondContact O-N 3.33Å; A933-S936 PolarHBondContact O-OG 3.07Å; P934-S936 PolarHBondContact O-N 2.8Å; S936-Y940 PolarHBondContact O-N 3.17Å |
| 937 | I | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -43.7 | 176.8 | -60.2 | 171.3 | 0 | 0 | 0 | 109.7 | T892 F897 K901 I927 A931 P934 D935 Y940 L941 | T892-I937 HydrophobicContact CG2-CD1 3.76Å; T892-I937 HydrophobicContact CG2-CG1 3.59Å; F897-I937 HydrophobicContact CB-CD1 3.94Å; F897-I937 HydrophobicContact CD1-CD1 4.48Å; F897-I937 HydrophobicContact CD2-CD1 4.16Å; F897-I937 HydrophobicContact CG-CD1 3.94Å; K901-I937 HydrophobicContact CD-CG2 3.87Å; K901-I937 HydrophobicContact CG-CG2 3.78Å; I927-I937 HydrophobicContact CD1-CG2 4.31Å; I927-I937 HydrophobicContact CG2-CB 4.26Å; I927-I937 HydrophobicContact CG2-CD1 3.8Å; I927-I937 HydrophobicContact CG2-CG2 4.07Å; A931-I937 HydrophobicContact CB-CD1 3.82Å; P934-I937 WeakPolarHBondContact O-CB 3.5Å; P934-I937 PolarHBondContact O-N 3.33Å; P934-I937 VanDerWaalsContact O-N 3.12Å; D935-I937 VanDerWaalsContact C-N 3.29Å; D935-I937 PolarHBondContact O-N 3.39Å; I937-Y940 PolarHBondContact O-N 3.38Å; I937-L941 WeakPolarHBondContact O-CB 3.22Å; I937-L941 PolarHBondContact O-N 2.84Å |
| 938 | M | 96.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 179.1 | -68.4 | -50.5 | 120.5 | 0 | 0 | 112.4 | I924 I927 Y928 P934 D935 Y940 L941 L942 I1029 | I924-M938 HydrophobicContact CD1-SD 4.14Å; I924-M938 HydrophobicContact CG1-CE 4.4Å; I924-M938 HydrophobicContact CG1-SD 4.21Å; I924-M938 HydrophobicContact CG2-CE 4.48Å; I924-M938 HydrophobicContact CG2-SD 4.15Å; I927-M938 HydrophobicContact CB-CE 3.81Å; I927-M938 HydrophobicContact CD1-CE 3.6Å; I927-M938 HydrophobicContact CG1-CE 4.28Å; I927-M938 HydrophobicContact CG2-CE 3.43Å; I927-M938 VanDerWaalsContact CG2-CE 3.43Å; Y928-M938 HydrophobicContact CE2-CG 3.76Å; Y928-M938 HydrophobicContact CE2-SD 4.17Å; P934-M938 WeakPolarHBondContact O-CG 3.41Å; P934-M938 PolarHBondContact O-N 3.05Å; D935-M938 PolarHBondContact O-N 3.4Å; M938-Y940 VanDerWaalsContact C-N 3.33Å; M938-Y940 PolarHBondContact O-N 3.01Å; M938-L941 PolarHBondContact O-N 3.33Å; M938-L941 HydrophobicContact SD-CD2 4.25Å; M938-L942 WeakPolarHBondContact O-CB 3.15Å; M938-L942 WeakPolarHBondContact O-CG 3.28Å; M938-L942 PolarHBondContact O-N 3.23Å; M938-I1029 HydrophobicContact CB-CD1 4.12Å; M938-I1029 HydrophobicContact CB-CG1 4.48Å; M938-I1029 HydrophobicContact CB-CG2 3.85Å; M938-I1029 HydrophobicContact CG-CD1 4.27Å; M938-I1029 HydrophobicContact CG-CG1 4.21Å; M938-I1029 HydrophobicContact CG-CG2 4.01Å; M938-I1029 HydrophobicContact SD-CD1 3.66Å; M938-I1029 HydrophobicContact SD-CG1 3.64Å |
| 939 | C | 93.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 32% | 0.324 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.8 | -78.1 | 0 | 0 | 0 | 0 | 112 | D935 R943 | D935-C939 WeakPolarHBondContact O-CB 3.11Å; D935-C939 PolarHBondContact O-N 2.9Å; D935-C939 PolarHBondContact O-SG 3.43Å; D935-C939 VanDerWaalsContact O-SG 3.4Å; C939-R943 WeakPolarHBondContact O-CB 3.24Å; C939-R943 PolarHBondContact O-N 2.86Å; C939-R943 VanDerWaalsContact O-N 3.1Å |
| 940 | Y | 94.5 | Very high | 92.5 | Very high | 123 Ų | 123 | 43 Ų | 43 | 48% | 0.482 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.2 | 176.9 | -94.8 | 0 | 0 | 0 | 111.5 | K901 I905 S936 I937 M938 R943 S944 | K901-Y940 HydrophobicContact CD-CD1 3.65Å; K901-Y940 HydrophobicContact CD-CE1 4.01Å; K901-Y940 HydrophobicContact CG-CD1 4.48Å; I905-Y940 HydrophobicContact CD1-CD1 4.2Å; I905-Y940 HydrophobicContact CD1-CE1 3.58Å; S936-Y940 PolarHBondContact O-N 3.17Å; I937-Y940 PolarHBondContact O-N 3.38Å; M938-Y940 VanDerWaalsContact C-N 3.33Å; M938-Y940 PolarHBondContact O-N 3.01Å; Y940-R943 PolarHBondContact O-N 3.44Å; Y940-S944 WeakPolarHBondContact O-CB 3.36Å; Y940-S944 PolarHBondContact O-N 2.75Å; Y940-S944 PolarHBondContact O-OG 3Å |
| 941 | L | 96 | Very high | 92 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | -179.9 | -178.7 | 60.6 | 0 | 0 | 0 | 111.8 | L904 I905 I924 I937 M938 R943 S944 T945 L1025 I1029 | L904-L941 HydrophobicContact CB-CD1 3.84Å; L904-L941 HydrophobicContact CD1-CD1 4.47Å; L904-L941 HydrophobicContact CD1-CD2 3.78Å; I905-L941 HydrophobicContact CD1-CD1 4.17Å; I905-L941 HydrophobicContact CG1-CD1 3.56Å; I924-L941 HydrophobicContact CD1-CD2 4.37Å; I937-L941 WeakPolarHBondContact O-CB 3.22Å; I937-L941 PolarHBondContact O-N 2.84Å; M938-L941 PolarHBondContact O-N 3.33Å; M938-L941 HydrophobicContact SD-CD2 4.25Å; L941-R943 VanDerWaalsContact C-N 3.34Å; L941-R943 PolarHBondContact O-N 2.85Å; L941-S944 PolarHBondContact O-N 3.48Å; L941-T945 WeakPolarHBondContact O-CB 3.3Å; L941-T945 PolarHBondContact O-N 2.86Å; L941-T945 PolarHBondContact O-OG1 3.32Å; L941-L1025 HydrophobicContact CD2-CD1 3.92Å; L941-L1025 HydrophobicContact CG-CD1 4.47Å; L941-L1025 HydrophobicContact CG-CD2 4.28Å; L941-I1029 HydrophobicContact CD2-CD1 4.49Å |
| 942 | L | 95.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 176.6 | -77.5 | 171.8 | 0 | 0 | 0 | 111.7 | M938 T945 A946 F1022 L1025 I1026 I1029 I1126 L1127 L1130 | M938-L942 WeakPolarHBondContact O-CB 3.15Å; M938-L942 WeakPolarHBondContact O-CG 3.28Å; M938-L942 PolarHBondContact O-N 3.23Å; L942-T945 PolarHBondContact O-N 3.37Å; L942-A946 VanDerWaalsContact O-CB 3.25Å; L942-A946 WeakPolarHBondContact O-CB 3.38Å; L942-A946 PolarHBondContact O-N 3.02Å; L942-F1022 HydrophobicContact CD2-CE2 4.36Å; L942-L1025 HydrophobicContact CD2-CD2 4.21Å; L942-L1025 HydrophobicContact CD2-CG 4.19Å; L942-I1026 HydrophobicContact CD2-CG1 3.94Å; L942-I1029 HydrophobicContact CD1-CD1 4.14Å; L942-I1029 HydrophobicContact CD1-CG2 4.3Å; L942-I1029 HydrophobicContact CD2-CD1 3.84Å; L942-I1029 HydrophobicContact CG-CD1 3.68Å; L942-I1126 HydrophobicContact CB-CD1 4.28Å; L942-L1127 HydrophobicContact CD1-CD2 3.98Å; L942-L1130 HydrophobicContact CD1-CD1 4.19Å; L942-L1130 HydrophobicContact CD2-CD1 4.34Å |
| 943 | R | 94.3 | Very high | 89.3 | Confident | 154 Ų | 154 | 53.8 Ų | 53.8 | 58% | 0.581 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.7 | -50.1 | 178.1 | -173.2 | -179.7 | -61.9 | 169.5 | 1.1 | 111.4 | C939 Y940 L941 T945 A946 E947 | C939-R943 WeakPolarHBondContact O-CB 3.24Å; C939-R943 PolarHBondContact O-N 2.86Å; C939-R943 VanDerWaalsContact O-N 3.1Å; Y940-R943 PolarHBondContact O-N 3.44Å; L941-R943 VanDerWaalsContact C-N 3.34Å; L941-R943 PolarHBondContact O-N 2.85Å; R943-T945 PolarHBondContact O-N 3.43Å; R943-A946 PolarHBondContact O-N 3.42Å; R943-E947 WeakPolarHBondContact O-CG 3.36Å; R943-E947 PolarHBondContact O-N 3.02Å |
| 944 | S | 94.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | -180 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | Y940 L941 K948 | Y940-S944 WeakPolarHBondContact O-CB 3.36Å; Y940-S944 PolarHBondContact O-N 2.75Å; Y940-S944 PolarHBondContact O-OG 3Å; L941-S944 PolarHBondContact O-N 3.48Å; S944-K948 WeakPolarHBondContact O-CG 3.47Å; S944-K948 PolarHBondContact O-N 3.28Å |
| 945 | T | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | V908 L941 L942 R943 E947 K948 L949 F1022 L1025 | V908-T945 HydrophobicContact CG1-CG2 4.17Å; V908-T945 HydrophobicContact CG2-CG2 3.82Å; L941-T945 WeakPolarHBondContact O-CB 3.3Å; L941-T945 PolarHBondContact O-N 2.86Å; L941-T945 PolarHBondContact O-OG1 3.32Å; L942-T945 PolarHBondContact O-N 3.37Å; R943-T945 PolarHBondContact O-N 3.43Å; T945-E947 VanDerWaalsContact C-N 3.35Å; T945-E947 PolarHBondContact O-N 3.16Å; T945-K948 WeakPolarHBondContact O-CB 3.43Å; T945-K948 PolarHBondContact O-N 3Å; T945-K948 VanDerWaalsContact O-N 3.15Å; T945-L949 HydrophobicContact CG2-CD1 4.24Å; T945-L949 VanDerWaalsContact O-CD1 3.25Å; T945-L949 WeakPolarHBondContact O-CD1 3.45Å; T945-L949 PolarHBondContact O-N 3.42Å; T945-L949 VanDerWaalsContact O-N 3.12Å; T945-F1022 HydrophobicContact CG2-CB 4.45Å; T945-F1022 HydrophobicContact CG2-CD2 3.56Å; T945-F1022 HydrophobicContact CG2-CE2 4.26Å; T945-F1022 HydrophobicContact CG2-CG 4.4Å; T945-L1025 HydrophobicContact CG2-CD2 4.06Å |
| 946 | A | 90.6 | Very high | 82.3 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L942 R943 K948 L949 V950 F1022 | L942-A946 VanDerWaalsContact O-CB 3.25Å; L942-A946 WeakPolarHBondContact O-CB 3.38Å; L942-A946 PolarHBondContact O-N 3.02Å; R943-A946 PolarHBondContact O-N 3.42Å; A946-K948 VanDerWaalsContact C-N 3.27Å; A946-K948 PolarHBondContact O-N 3.05Å; A946-L949 WeakPolarHBondContact O-CB 3.24Å; A946-L949 PolarHBondContact O-N 2.97Å; A946-V950 WeakPolarHBondContact O-CG2 3.47Å; A946-V950 PolarHBondContact O-N 3.37Å; A946-F1022 HydrophobicContact CB-CE2 4.02Å; A946-F1022 HydrophobicContact CB-CZ 3.76Å |
| 947 | E | 90.3 | Very high | 79.5 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.4 | -40 | 172.9 | -73.9 | 166.4 | -173.5 | 0 | 0 | 111.7 | R943 T945 L949 V950 Q951 | R943-E947 WeakPolarHBondContact O-CG 3.36Å; R943-E947 PolarHBondContact O-N 3.02Å; T945-E947 VanDerWaalsContact C-N 3.35Å; T945-E947 PolarHBondContact O-N 3.16Å; E947-L949 VanDerWaalsContact C-N 3.34Å; E947-L949 PolarHBondContact O-N 3.11Å; E947-V950 PolarHBondContact O-N 3.33Å; E947-Q951 WeakPolarHBondContact O-CG 3.43Å; E947-Q951 PolarHBondContact O-N 3.23Å; E947-Q951 VanDerWaalsContact O-N 3.13Å |
| 948 | K | 87.9 | Confident | 76.6 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 30% | 0.3 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 174.1 | -69 | -65.4 | -177.4 | -179.2 | 0 | 113.2 | S944 T945 A946 F952 | S944-K948 WeakPolarHBondContact O-CG 3.47Å; S944-K948 PolarHBondContact O-N 3.28Å; T945-K948 WeakPolarHBondContact O-CB 3.43Å; T945-K948 PolarHBondContact O-N 3Å; T945-K948 VanDerWaalsContact O-N 3.15Å; A946-K948 VanDerWaalsContact C-N 3.27Å; A946-K948 PolarHBondContact O-N 3.05Å; K948-F952 WeakPolarHBondContact O-CD2 3.42Å |
| 949 | L | 86.6 | Confident | 73.8 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 173 | -92.2 | 79.5 | 0 | 0 | 0 | 111.5 | T945 A946 E947 Q951 F952 V1014 L1018 L1019 F1022 | T945-L949 HydrophobicContact CG2-CD1 4.24Å; T945-L949 VanDerWaalsContact O-CD1 3.25Å; T945-L949 WeakPolarHBondContact O-CD1 3.45Å; T945-L949 PolarHBondContact O-N 3.42Å; T945-L949 VanDerWaalsContact O-N 3.12Å; A946-L949 WeakPolarHBondContact O-CB 3.24Å; A946-L949 PolarHBondContact O-N 2.97Å; E947-L949 VanDerWaalsContact C-N 3.34Å; E947-L949 PolarHBondContact O-N 3.11Å; L949-Q951 PolarHBondContact O-N 3Å; L949-F952 PolarHBondContact O-N 3.03Å; L949-V1014 HydrophobicContact CD2-CG1 4.31Å; L949-V1014 HydrophobicContact CG-CG1 4.03Å; L949-L1018 HydrophobicContact CD1-CD1 3.94Å; L949-L1018 HydrophobicContact CD1-CD2 4.27Å; L949-L1018 HydrophobicContact CD1-CG 3.8Å; L949-L1018 HydrophobicContact CG-CD2 4.28Å; L949-L1018 HydrophobicContact CG-CG 4.08Å; L949-L1019 HydrophobicContact CD2-CD1 4.14Å; L949-F1022 HydrophobicContact CD1-CB 3.71Å; L949-F1022 HydrophobicContact CD1-CD1 4.24Å; L949-F1022 HydrophobicContact CD1-CD2 4.2Å; L949-F1022 HydrophobicContact CD1-CG 3.8Å; L949-F1022 HydrophobicContact CD2-CB 4.05Å; L949-F1022 HydrophobicContact CD2-CD1 3.58Å; L949-F1022 HydrophobicContact CD2-CE1 4.25Å; L949-F1022 HydrophobicContact CD2-CG 3.97Å |
| 950 | V | 84 | Confident | 70.7 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.8 | -17.9 | -176 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | A946 E947 F952 K953 | A946-V950 WeakPolarHBondContact O-CG2 3.47Å; A946-V950 PolarHBondContact O-N 3.37Å; E947-V950 PolarHBondContact O-N 3.33Å; V950-F952 PolarHBondContact O-N 3.03Å; V950-K953 HydrophobicContact CG1-CD 4.42Å; V950-K953 WeakPolarHBondContact O-CG 3.37Å; V950-K953 PolarHBondContact O-N 2.9Å |
| 951 | Q | 81.7 | Confident | 67.8 | Low | 130 Ų | 130 | 84.4 Ų | 84.4 | 61% | 0.607 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.2 | 172.7 | -76.4 | 168.2 | 18.7 | 0 | 0 | 113.6 | E947 L949 K953 | E947-Q951 WeakPolarHBondContact O-CG 3.43Å; E947-Q951 PolarHBondContact O-N 3.23Å; E947-Q951 VanDerWaalsContact O-N 3.13Å; L949-Q951 PolarHBondContact O-N 3Å; Q951-K953 VanDerWaalsContact C-N 3.28Å; Q951-K953 PolarHBondContact O-N 2.79Å |
| 952 | F | 68.9 | Low | 64.6 | Low | 83 Ų | 83 | 88.8 Ų | 88.8 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 30.6 | 176.6 | -68.2 | -92.4 | 0 | 0 | 0 | 114.1 | K948 L949 V950 S954 N1013 P1015 L1018 | K948-F952 WeakPolarHBondContact O-CD2 3.42Å; L949-F952 PolarHBondContact O-N 3.03Å; V950-F952 PolarHBondContact O-N 3.03Å; F952-S954 PolarHBondContact O-N 3.28Å; F952-S954 VanDerWaalsContact O-N 3.13Å; F952-N1013 WeakPolarHBondContact CB-O 3.29Å; F952-P1015 HydrophobicContact CD1-CG 4.16Å; F952-P1015 HydrophobicContact CE1-CG 3.85Å; F952-P1015 HydrophobicContact CZ-CG 4.2Å; F952-L1018 HydrophobicContact CD2-CD2 3.86Å; F952-L1018 HydrophobicContact CE2-CD2 3.38Å; F952-L1018 HydrophobicContact CZ-CD2 4.17Å |
| 953 | K | 61.1 | Low | 61.5 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 113.9 | 174.6 | -80.3 | 171.6 | -170.3 | -179.2 | 0 | 110.6 | V950 Q951 V955 | V950-K953 HydrophobicContact CG1-CD 4.42Å; V950-K953 WeakPolarHBondContact O-CG 3.37Å; V950-K953 PolarHBondContact O-N 2.9Å; Q951-K953 VanDerWaalsContact C-N 3.28Å; Q951-K953 PolarHBondContact O-N 2.79Å; K953-V955 PolarHBondContact O-N 3.43Å |
| 954 | S | 49.9 | Very low | 58.3 | Low | 60 Ų | 60 | 95.7 Ų | 95.7 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | trans | -78.6 | 109.1 | 160 | 61.9 | 0 | 0 | 0 | 0 | 108.3 | F952 L956 S1011 | F952-S954 PolarHBondContact O-N 3.28Å; F952-S954 VanDerWaalsContact O-N 3.13Å; S954-L956 PolarHBondContact O-N 3.12Å; S954-S1011 PolarHBondContact OG-O 2.95Å | ||
| 955 | V | 42.6 | Very low | 55.2 | Low | 126 Ų | 126 | 100.2 Ų | 100.2 | 76% | 0.764 | 56% | 0.558 | S | S | * | * | trans | -67.3 | 112.3 | 162.3 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | K953 | K953-V955 PolarHBondContact O-N 3.43Š| ||
| 956 | L | 38 | Very low | 52 | Low | 125 Ų | 125 | 108 Ų | 108 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | trans | -51.6 | 129.9 | 165.9 | -88.2 | 146 | 0 | 0 | 0 | 107.3 | S954 N958 | S954-L956 PolarHBondContact O-N 3.12Å; L956-N958 PolarHBondContact O-N 3.01Å | ||
| 957 | P | 35.2 | Very low | 49.3 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 62% | 0.622 | S | S | * | * | trans | -59.3 | 111.3 | 175.7 | 23.1 | -30.2 | 0 | 0 | 0 | 107.6 | ||||
| 958 | N | 34.9 | Very low | 46.4 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 78% | 0.775 | 64% | 0.636 | S | S | * | * | trans | -55.1 | 129.4 | 174.4 | -91.9 | -13.1 | 0 | 0 | 0 | 108.1 | L956 V960 | L956-N958 PolarHBondContact O-N 3.01Å; N958-V960 PolarHBondContact O-N 3.44Å | ||
| 959 | P | 36.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | -59.5 | 130.2 | 172.1 | 23.2 | -29.4 | 0 | 0 | 0 | 108.4 | N961 | P959-N961 PolarHBondContact O-N 2.94Š| ||
| 960 | V | 29.5 | Very low | 40.9 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -37.3 | 109.1 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | N958 | N958-V960 PolarHBondContact O-N 3.44Š| ||
| 961 | N | 33.4 | Very low | 38.3 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -138.9 | 106.4 | 152.7 | -105.5 | -11.5 | 0 | 0 | 0 | 108.2 | P959 N963 | P959-N961 PolarHBondContact O-N 2.94Å; N961-N963 PolarHBondContact O-N 3.37Å | ||
| 962 | S | 27.8 | Very low | 35.8 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -45 | 115.9 | 160.4 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 963 | N | 30 | Very low | 33.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | 157.2 | 122.3 | 122.7 | -80 | -9.1 | 0 | 0 | 0 | 111.8 | N961 | N961-N963 PolarHBondContact O-N 3.37Š| |||
| 964 | E | 28.2 | Very low | 32.3 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 135.6 | 134.7 | -63.6 | -179.1 | 154.1 | 0 | 0 | 122.9 | ||||
| 965 | S | 28.4 | Very low | 31.3 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 66.6 | 99.1 | 155.8 | 37.1 | 0 | 0 | 0 | 0 | 120.7 | V967 | S965-V967 PolarHBondContact O-N 3.18Š| ||
| 966 | I | 26.2 | Very low | 30.6 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -38.5 | 120.7 | 146.5 | -60.6 | 155.6 | 0 | 0 | 0 | 111.6 | ||||
| 967 | V | 33.4 | Very low | 30.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -137.4 | 122.4 | 155.1 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | S965 N969 | S965-V967 PolarHBondContact O-N 3.18Å; V967-N969 PolarHBondContact O-N 3.5Å | ||
| 968 | D | 30.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 155 Ų | 155 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -53.7 | 115.3 | 177.8 | -77.6 | -47.1 | 0 | 0 | 0 | 112.7 | ||||
| 969 | N | 30 | Very low | 29.6 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -99.7 | 84.5 | 170.3 | -93.6 | -24 | 0 | 0 | 0 | 110 | V967 | V967-N969 PolarHBondContact O-N 3.5Š| ||
| 970 | N | 28 | Very low | 29.4 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -125.2 | 61.1 | 172.6 | -101.7 | -10.7 | 0 | 0 | 0 | 110.4 | ||||
| 971 | Q | 29.8 | Very low | 29.3 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -150.3 | 39.1 | 174.7 | -71.3 | -163.5 | 11.5 | 0 | 0 | 116 | ||||
| 972 | I | 30.4 | Very low | 29.4 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -112.2 | -0.5 | 176.5 | -61.1 | 179.1 | 0 | 0 | 0 | 114 | D974 | I972-D974 PolarHBondContact O-N 3.31Š| ||
| 973 | L | 27 | Very low | 29.7 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -89.9 | 2.2 | -170 | -140.7 | 80.2 | 0 | 0 | 0 | 117.3 | ||
| 974 | D | 28.1 | Very low | 29.6 | Very low | 165 Ų | 165 | 158.5 Ų | 158.5 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -121.4 | 27.7 | -161.8 | -122.4 | 12.5 | 0 | 0 | 0 | 117.2 | I972 | I972-D974 PolarHBondContact O-N 3.31Š|
| 975 | K | 29.5 | Very low | 29.9 | Very low | 201 Ų | 201 | 157.7 Ų | 157.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -128.4 | 12.1 | -178.1 | -86.9 | -169.7 | 178.8 | -179.2 | 0 | 118.8 | ||
| 976 | L | 27.3 | Very low | 29.9 | Very low | 176 Ų | 176 | 157.8 Ų | 157.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -113.8 | 25.2 | -176.8 | -71.8 | 168.8 | 0 | 0 | 0 | 115.7 | ||||
| 977 | V | 28.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -121.4 | 78.7 | 167.3 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 978 | R | 30.4 | Very low | 30 | Very low | 236 Ų | 236 | 158.1 Ų | 158.1 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -140.2 | 114 | 156.3 | -75 | -164.4 | 174.9 | -161.1 | -3.6 | 109.1 | ||||
| 979 | S | 28 | Very low | 30.1 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -54.5 | 131 | 163.7 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 980 | D | 32.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -129.9 | 103.8 | 155.3 | -75.6 | -36.1 | 0 | 0 | 0 | 106.5 | ||||
| 981 | D | 28.4 | Very low | 29.9 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -72.4 | 140 | 154.1 | -68.3 | -53.6 | 0 | 0 | 0 | 107.2 | ||||
| 982 | D | 35.4 | Very low | 29.9 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | 167.1 | 125.4 | 138.3 | -81.4 | -22.2 | 0 | 0 | 0 | 112.4 | ||||
| 983 | D | 33.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 64.6 | 101.9 | 142.3 | -65 | -18.2 | 0 | 0 | 0 | 122.9 | ||||
| 984 | D | 28.3 | Very low | 29.9 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 19.9 | 113 | 120.5 | -69.4 | -28.2 | 0 | 0 | 0 | 118.3 | |||||
| 985 | N | 33.9 | Very low | 30.1 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -142.8 | 104.6 | 146.1 | -159.8 | 9.3 | 0 | 0 | 0 | 111 | ||||
| 986 | V | 28.9 | Very low | 29.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 124.6 | 171.5 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 987 | N | 35 | Very low | 29.8 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -144.6 | 94.4 | 159.1 | -146.4 | 21.2 | 0 | 0 | 0 | 109.6 | ||||
| 988 | D | 27.4 | Very low | 29.7 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 107.1 | 167.6 | -77.4 | -48.1 | 0 | 0 | 0 | 109.4 | ||||
| 989 | E | 32.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -151.3 | 117.3 | 153.1 | -74 | -159.2 | 155.3 | 0 | 0 | 112.7 | ||||
| 990 | Q | 29.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 77.2 | 109.5 | 139.4 | -64 | 178.1 | 8 | 0 | 0 | 120.8 | ||||
| 991 | E | 24.7 | Very low | 29.2 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -44.9 | 127.7 | 155.5 | -64.5 | 173.2 | 136.7 | 0 | 0 | 113 | ||||
| 992 | N | 30.3 | Very low | 29.1 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -157.9 | 101.1 | 142.8 | -109.5 | -55.5 | 0 | 0 | 0 | 109.6 | P994 | N992-P994 WeakPolarHBondContact O-CD 3.34Š| ||
| 993 | V | 25.1 | Very low | 29 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 121.6 | 168.8 | 177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 994 | P | 31.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -121.2 | 152.9 | 143.8 | 12 | 8.4 | 0 | 0 | 0 | 111.7 | N992 | N992-P994 WeakPolarHBondContact O-CD 3.34Š| ||
| 995 | P | 31.3 | Very low | 29 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -96 | 145.7 | -153.6 | 38 | -34.8 | 0 | 0 | 0 | 114.2 | ||||
| 996 | S | 21.8 | Very low | 28.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 38.4 | 88.3 | 147.4 | 40.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 997 | S | 28.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -147.9 | 113.7 | 150.7 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 998 | Q | 26.1 | Very low | 29.6 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 46.1 | 90.3 | 146.1 | -63 | 178.1 | -7.8 | 0 | 0 | 118.1 | ||||
| 999 | M | 25.8 | Very low | 30.5 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -108.5 | 95.6 | 150.1 | -80.7 | -168.9 | 150.8 | 0 | 0 | 109.3 | S1001 | M999-S1001 PolarHBondContact O-N 2.89Š| ||
| 1000 | K | 26.1 | Very low | 31.6 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -75 | 99.6 | 150.4 | -79.8 | -179 | 173.4 | -177.3 | 0 | 106.2 | ||||
| 1001 | S | 28.7 | Very low | 33.4 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -101 | 105.9 | 163.4 | 54.8 | 0 | 0 | 0 | 0 | 107.5 | M999 P1003 | M999-S1001 PolarHBondContact O-N 2.89Å; S1001-P1003 VanDerWaalsContact O-CD 3.26Å; S1001-P1003 WeakPolarHBondContact O-CD 3.36Å | ||
| 1002 | D | 26.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -66.4 | 118.4 | 166.9 | -79.4 | -40.1 | 0 | 0 | 0 | 109.2 | ||||
| 1003 | P | 34.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -106.7 | 71.5 | 169.9 | 32.9 | -14.8 | 0 | 0 | 0 | 109 | S1001 V1005 | S1001-P1003 VanDerWaalsContact O-CD 3.26Å; S1001-P1003 WeakPolarHBondContact O-CD 3.36Å; P1003-V1005 PolarHBondContact O-N 2.9Å | ||
| 1004 | D | 29.6 | Very low | 40.8 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -95 | 61.9 | 169.4 | -105.1 | -6.2 | 0 | 0 | 0 | 109.7 | ||||
| 1005 | V | 31.3 | Very low | 43.6 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -144 | 104.1 | 167.9 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | P1003 | P1003-V1005 PolarHBondContact O-N 2.9Š|
| 1006 | T | 31.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | 56.9 | 87.7 | 153.1 | 63.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1007 | S | 37.3 | Very low | 49.7 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -149.8 | 116.7 | 137.7 | -78.6 | 0 | 0 | 0 | 0 | 107 | L1009 | S1007-L1009 PolarHBondContact O-N 3.34Š| ||
| 1008 | S | 40.7 | Very low | 52.8 | Low | 118 Ų | 118 | 109.1 Ų | 109.1 | 83% | 0.825 | 62% | 0.615 | S | S | * | * | trans | -54.3 | 98.4 | 174.4 | 34.3 | 0 | 0 | 0 | 0 | 109.3 | I1010 | S1008-I1010 PolarHBondContact O-N 3.2Š| ||
| 1009 | L | 47.5 | Very low | 56 | Low | 165 Ų | 165 | 100.8 Ų | 100.8 | 86% | 0.864 | 58% | 0.576 | S | S | * | * | trans | -63.4 | 97.6 | 179 | -80.8 | 158.8 | 0 | 0 | 0 | 108.6 | S1007 S1011 | S1007-L1009 PolarHBondContact O-N 3.34Å; L1009-S1011 PolarHBondContact O-N 3.06Å | ||
| 1010 | I | 55.8 | Low | 59.3 | Low | 118 Ų | 118 | 92.3 Ų | 92.3 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | trans | -66 | 103.9 | 166.1 | -60.5 | 174.3 | 0 | 0 | 0 | 106.3 | S1008 V1012 | S1008-I1010 PolarHBondContact O-N 3.2Å; I1010-V1012 HydrophobicContact CG2-CG2 3.91Å; I1010-V1012 PolarHBondContact O-N 2.99Å | ||
| 1011 | S | 65.4 | Low | 62.7 | Low | 61 Ų | 61 | 83.2 Ų | 83.2 | 43% | 0.427 | 50% | 0.496 | S | S | . | . | trans | -70.9 | 106 | 167.5 | 160.2 | 0 | 0 | 0 | 0 | 108.6 | S954 L1009 | S954-S1011 PolarHBondContact OG-O 2.95Å; L1009-S1011 PolarHBondContact O-N 3.06Å | ||
| 1012 | V | 69.6 | Low | 65.9 | Low | 63 Ų | 63 | 79 Ų | 79 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 121.4 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 108.2 | I1010 V1014 | I1010-V1012 HydrophobicContact CG2-CG2 3.91Å; I1010-V1012 PolarHBondContact O-N 2.99Å; V1012-V1014 HydrophobicContact CB-CG2 4.41Å; V1012-V1014 HydrophobicContact CG1-CG2 3.53Å |
| 1013 | N | 80.5 | Confident | 69.3 | Low | 119 Ų | 119 | 71.6 Ų | 71.6 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | trans | -99.9 | 104 | 175.5 | -172.8 | 15.1 | 0 | 0 | 0 | 109.2 | F952 | F952-N1013 WeakPolarHBondContact CB-O 3.29Š| ||
| 1014 | V | 86.2 | Confident | 72.3 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | trans | -110.4 | 139.1 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | L949 V1012 A1016 L1018 L1019 | L949-V1014 HydrophobicContact CD2-CG1 4.31Å; L949-V1014 HydrophobicContact CG-CG1 4.03Å; V1012-V1014 HydrophobicContact CB-CG2 4.41Å; V1012-V1014 HydrophobicContact CG1-CG2 3.53Å; V1014-A1016 PolarHBondContact O-N 3.36Å; V1014-L1018 HydrophobicContact CG1-CB 4.22Å; V1014-L1018 HydrophobicContact CG1-CD2 4.01Å; V1014-L1018 HydrophobicContact CG1-CG 4.17Å; V1014-L1019 HydrophobicContact CG1-CB 4.4Å | ||
| 1015 | P | 89.7 | Confident | 75.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 26% | 0.26 | 35% | 0.354 | S | S | . | . | trans | -56.3 | 136 | 171.8 | -24.6 | 33.9 | 0 | 0 | 0 | 112.5 | F952 F1017 L1018 L1019 | F952-P1015 HydrophobicContact CD1-CG 4.16Å; F952-P1015 HydrophobicContact CE1-CG 3.85Å; F952-P1015 HydrophobicContact CZ-CG 4.2Å; P1015-F1017 VanDerWaalsContact C-N 3.33Å; P1015-F1017 HydrophobicContact CB-CD1 3.72Å; P1015-F1017 HydrophobicContact CB-CE1 3.44Å; P1015-F1017 VanDerWaalsContact CB-CE1 3.44Å; P1015-F1017 HydrophobicContact CB-CZ 4.2Å; P1015-F1017 HydrophobicContact CG-CE1 4.22Å; P1015-F1017 PolarHBondContact O-N 3.15Å; P1015-L1018 HydrophobicContact CB-CB 4.39Å; P1015-L1018 PolarHBondContact O-N 3.38Å; P1015-L1019 PolarHBondContact O-N 3.37Å; P1015-L1019 VanDerWaalsContact O-N 3.11Å | ||
| 1016 | A | 90.9 | Very high | 78.7 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.3 | -42.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1014 L1018 L1019 S1020 D1146 V1149 | V1014-A1016 PolarHBondContact O-N 3.36Å; A1016-L1018 VanDerWaalsContact C-N 3.3Å; A1016-L1018 PolarHBondContact O-N 2.97Å; A1016-L1019 PolarHBondContact O-N 2.89Å; A1016-S1020 WeakPolarHBondContact O-CB 3.5Å; A1016-S1020 PolarHBondContact O-N 3.29Å; A1016-D1146 HydrophobicContact CB-CB 3.95Å; A1016-V1149 HydrophobicContact CB-CG2 3.97Å; A1016-V1149 VanDerWaalsContact O-CG2 3.29Å; A1016-V1149 WeakPolarHBondContact O-CG2 3.33Å |
| 1017 | F | 92 | Very high | 81.8 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 178.3 | 77.6 | -94.7 | 0 | 0 | 0 | 112.6 | P911 P1015 R1021 | P911-F1017 HydrophobicContact CB-CE1 4.38Å; P911-F1017 HydrophobicContact CB-CZ 4.28Å; P1015-F1017 VanDerWaalsContact C-N 3.33Å; P1015-F1017 HydrophobicContact CB-CD1 3.72Å; P1015-F1017 HydrophobicContact CB-CE1 3.44Å; P1015-F1017 VanDerWaalsContact CB-CE1 3.44Å; P1015-F1017 HydrophobicContact CB-CZ 4.2Å; P1015-F1017 HydrophobicContact CG-CE1 4.22Å; P1015-F1017 PolarHBondContact O-N 3.15Å; F1017-R1021 WeakPolarHBondContact O-CB 3.23Å; F1017-R1021 VanDerWaalsContact O-CG 3.24Å; F1017-R1021 WeakPolarHBondContact O-CG 3.38Å; F1017-R1021 PolarHBondContact O-N 3.08Å |
| 1018 | L | 92.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.1 | -42.8 | -178.8 | 176.6 | 58.9 | 0 | 0 | 0 | 110.2 | V908 L949 F952 V1014 P1015 A1016 R1021 F1022 | V908-L1018 HydrophobicContact CG1-CD1 4.43Å; V908-L1018 HydrophobicContact CG2-CD1 3.93Å; L949-L1018 HydrophobicContact CD1-CD1 3.94Å; L949-L1018 HydrophobicContact CD1-CD2 4.27Å; L949-L1018 HydrophobicContact CD1-CG 3.8Å; L949-L1018 HydrophobicContact CG-CD2 4.28Å; L949-L1018 HydrophobicContact CG-CG 4.08Å; F952-L1018 HydrophobicContact CD2-CD2 3.86Å; F952-L1018 HydrophobicContact CE2-CD2 3.38Å; F952-L1018 HydrophobicContact CZ-CD2 4.17Å; V1014-L1018 HydrophobicContact CG1-CB 4.22Å; V1014-L1018 HydrophobicContact CG1-CD2 4.01Å; V1014-L1018 HydrophobicContact CG1-CG 4.17Å; P1015-L1018 HydrophobicContact CB-CB 4.39Å; P1015-L1018 PolarHBondContact O-N 3.38Å; A1016-L1018 VanDerWaalsContact C-N 3.3Å; A1016-L1018 PolarHBondContact O-N 2.97Å; L1018-R1021 PolarHBondContact O-N 3.29Å; L1018-F1022 PolarHBondContact O-N 2.8Å |
| 1019 | L | 94.1 | Very high | 87.4 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.7 | 178.4 | 57.8 | 0 | 0 | 0 | 111.3 | L949 V1014 P1015 A1016 R1021 F1022 L1023 F1133 F1144 V1149 | L949-L1019 HydrophobicContact CD2-CD1 4.14Å; V1014-L1019 HydrophobicContact CG1-CB 4.4Å; P1015-L1019 PolarHBondContact O-N 3.37Å; P1015-L1019 VanDerWaalsContact O-N 3.11Å; A1016-L1019 PolarHBondContact O-N 2.89Å; L1019-R1021 PolarHBondContact O-N 3.01Å; L1019-F1022 PolarHBondContact O-N 3.27Å; L1019-L1023 HydrophobicContact CD1-CD1 4.07Å; L1019-L1023 HydrophobicContact CD1-CG 4.2Å; L1019-L1023 HydrophobicContact CG-CD1 3.92Å; L1019-L1023 WeakPolarHBondContact O-CD1 3.36Å; L1019-L1023 VanDerWaalsContact O-CG 3.27Å; L1019-L1023 WeakPolarHBondContact O-CG 3.19Å; L1019-L1023 PolarHBondContact O-N 2.69Å; L1019-F1133 HydrophobicContact CD1-CE1 3.9Å; L1019-F1133 HydrophobicContact CD1-CZ 3.69Å; L1019-F1144 HydrophobicContact CD2-CD1 4.12Å; L1019-F1144 HydrophobicContact CD2-CE1 4.06Å; L1019-V1149 HydrophobicContact CB-CG2 4.42Å; L1019-V1149 HydrophobicContact CD2-CG1 3.9Å; L1019-V1149 HydrophobicContact CD2-CG2 4.36Å; L1019-V1149 HydrophobicContact CG-CG1 4.19Å; L1019-V1149 HydrophobicContact CG-CG2 4.41Å |
| 1020 | S | 95 | Very high | 89.8 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -47 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | A1016 F1022 L1023 A1024 T1148 S1152 | A1016-S1020 WeakPolarHBondContact O-CB 3.5Å; A1016-S1020 PolarHBondContact O-N 3.29Å; S1020-F1022 PolarHBondContact O-N 3.33Å; S1020-L1023 PolarHBondContact O-N 3.16Å; S1020-A1024 WeakPolarHBondContact O-CB 3.33Å; S1020-A1024 PolarHBondContact O-N 3.47Å; S1020-T1148 PolarHBondContact OG-O 3.26Å; S1020-S1152 VanDerWaalsContact O-CB 3.28Å; S1020-S1152 WeakPolarHBondContact O-CB 3.48Å; S1020-S1152 PolarHBondContact O-OG 3.41Å; S1020-S1152 WeakPolarHBondContact OG-CB 3.39Å; S1020-S1152 PolarHBondContact OG-OG 3.16Å |
| 1021 | R | 96 | Very high | 91.7 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 6% | 0.06 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.4 | -74.1 | 174.9 | -171.9 | 163.7 | 4.5 | 112.9 | V908 Q910 Q913 W916 V917 F1017 L1018 L1019 A1024 L1025 | V908-R1021 HydrophobicContact CG2-CB 4.15Å; V908-R1021 PolarHBondContact O-NH1 3.2Å; Q910-R1021 PolarHBondContact O-NH1 2.96Å; Q910-R1021 PolarHBondContact O-NH2 3.08Å; Q913-R1021 PolarHBondContact O-NH2 2.93Å; W916-R1021 HydrophobicContact CD2-CB 4.49Å; W916-R1021 HydrophobicContact CD2-CG 4.1Å; W916-R1021 HydrophobicContact CE3-CB 3.76Å; W916-R1021 HydrophobicContact CE3-CG 3.5Å; W916-R1021 VanDerWaalsContact CE3-CG 3.5Å; W916-R1021 HydrophobicContact CH2-CB 4.18Å; W916-R1021 HydrophobicContact CZ3-CB 3.57Å; W916-R1021 HydrophobicContact CZ3-CG 3.89Å; V917-R1021 HydrophobicContact CG2-CG 4.36Å; F1017-R1021 WeakPolarHBondContact O-CB 3.23Å; F1017-R1021 VanDerWaalsContact O-CG 3.24Å; F1017-R1021 WeakPolarHBondContact O-CG 3.38Å; F1017-R1021 PolarHBondContact O-N 3.08Å; L1018-R1021 PolarHBondContact O-N 3.29Å; L1019-R1021 PolarHBondContact O-N 3.01Å; R1021-A1024 PolarHBondContact O-N 3.46Å; R1021-L1025 VanDerWaalsContact O-CB 3.3Å; R1021-L1025 WeakPolarHBondContact O-CB 3.3Å; R1021-L1025 PolarHBondContact O-N 3.2Å |
| 1022 | F | 96.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 4% | 0.044 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.8 | -176.4 | -121.1 | 0 | 0 | 0 | 111.9 | L942 T945 A946 L949 L1018 L1019 S1020 L1025 I1026 L1130 F1133 | L942-F1022 HydrophobicContact CD2-CE2 4.36Å; T945-F1022 HydrophobicContact CG2-CB 4.45Å; T945-F1022 HydrophobicContact CG2-CD2 3.56Å; T945-F1022 HydrophobicContact CG2-CE2 4.26Å; T945-F1022 HydrophobicContact CG2-CG 4.4Å; A946-F1022 HydrophobicContact CB-CE2 4.02Å; A946-F1022 HydrophobicContact CB-CZ 3.76Å; L949-F1022 HydrophobicContact CD1-CB 3.71Å; L949-F1022 HydrophobicContact CD1-CD1 4.24Å; L949-F1022 HydrophobicContact CD1-CD2 4.2Å; L949-F1022 HydrophobicContact CD1-CG 3.8Å; L949-F1022 HydrophobicContact CD2-CB 4.05Å; L949-F1022 HydrophobicContact CD2-CD1 3.58Å; L949-F1022 HydrophobicContact CD2-CE1 4.25Å; L949-F1022 HydrophobicContact CD2-CG 3.97Å; L1018-F1022 PolarHBondContact O-N 2.8Å; L1019-F1022 PolarHBondContact O-N 3.27Å; S1020-F1022 PolarHBondContact O-N 3.33Å; F1022-L1025 HydrophobicContact CD2-CD2 4.47Å; F1022-L1025 WeakPolarHBondContact O-CB 3.49Å; F1022-L1025 PolarHBondContact O-N 3.29Å; F1022-I1026 HydrophobicContact CD1-CD1 3.85Å; F1022-I1026 HydrophobicContact CE1-CD1 3.64Å; F1022-I1026 HydrophobicContact CE1-CG1 4.49Å; F1022-I1026 HydrophobicContact CE2-CD1 4.4Å; F1022-I1026 HydrophobicContact CE2-CG1 4.42Å; F1022-I1026 HydrophobicContact CG-CD1 4.33Å; F1022-I1026 HydrophobicContact CZ-CD1 3.93Å; F1022-I1026 HydrophobicContact CZ-CG1 4.35Å; F1022-I1026 VanDerWaalsContact O-CG1 3.25Å; F1022-I1026 WeakPolarHBondContact O-CG1 3.39Å; F1022-I1026 PolarHBondContact O-N 3.5Å; F1022-L1130 HydrophobicContact CE1-CD2 4.19Å; F1022-L1130 HydrophobicContact CZ-CD2 3.95Å; F1022-F1133 HydrophobicContact CD1-CE1 4.44Å; F1022-F1133 HydrophobicContact CE1-CE1 4.47Å |
| 1023 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.2 | -68.2 | 162.5 | 0 | 0 | 0 | 111.5 | L1019 S1020 L1025 I1026 G1027 F1133 V1134 V1137 V1149 A1153 A1156 | L1019-L1023 HydrophobicContact CD1-CD1 4.07Å; L1019-L1023 HydrophobicContact CD1-CG 4.2Å; L1019-L1023 HydrophobicContact CG-CD1 3.92Å; L1019-L1023 WeakPolarHBondContact O-CD1 3.36Å; L1019-L1023 VanDerWaalsContact O-CG 3.27Å; L1019-L1023 WeakPolarHBondContact O-CG 3.19Å; L1019-L1023 PolarHBondContact O-N 2.69Å; S1020-L1023 PolarHBondContact O-N 3.16Å; L1023-L1025 VanDerWaalsContact C-N 3.3Å; L1023-L1025 PolarHBondContact O-N 3.35Å; L1023-I1026 PolarHBondContact O-N 2.89Å; L1023-G1027 PolarHBondContact O-N 3.25Å; L1023-F1133 HydrophobicContact CD2-CD1 4.28Å; L1023-F1133 HydrophobicContact CD2-CE1 4.01Å; L1023-V1134 HydrophobicContact CD2-CG2 3.77Å; L1023-V1137 HydrophobicContact CD1-CG1 4.38Å; L1023-V1149 HydrophobicContact CD1-CG1 3.85Å; L1023-A1153 HydrophobicContact CD1-CB 3.97Å; L1023-A1153 HydrophobicContact CD2-CB 4.47Å; L1023-A1156 VanDerWaalsContact O-CB 3.29Å; L1023-A1156 WeakPolarHBondContact O-CB 3.38Å |
| 1024 | A | 97.4 | Very high | 95.1 | Very high | 14 Ų | 14 | 17.9 Ų | 17.9 | 12% | 0.116 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V917 M920 S1020 R1021 G1027 H1028 | V917-A1024 HydrophobicContact CG1-CB 4.4Å; V917-A1024 HydrophobicContact CG2-CB 4.28Å; M920-A1024 HydrophobicContact CE-CB 4.25Å; S1020-A1024 WeakPolarHBondContact O-CB 3.33Å; S1020-A1024 PolarHBondContact O-N 3.47Å; R1021-A1024 PolarHBondContact O-N 3.46Å; A1024-G1027 PolarHBondContact O-N 2.72Å; A1024-H1028 WeakPolarHBondContact O-CB 3.43Å; A1024-H1028 PolarHBondContact O-N 3.48Å |
| 1025 | L | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 175.4 | 179.9 | 66.9 | 0 | 0 | 0 | 111.8 | W916 M920 I924 L941 L942 T945 R1021 F1022 L1023 G1027 H1028 I1029 | W916-L1025 HydrophobicContact CH2-CB 4.47Å; M920-L1025 HydrophobicContact CG-CD1 3.95Å; M920-L1025 HydrophobicContact SD-CD1 3.98Å; I924-L1025 HydrophobicContact CD1-CD1 3.45Å; I924-L1025 VanDerWaalsContact CD1-CD1 3.45Å; L941-L1025 HydrophobicContact CD2-CD1 3.92Å; L941-L1025 HydrophobicContact CG-CD1 4.47Å; L941-L1025 HydrophobicContact CG-CD2 4.28Å; L942-L1025 HydrophobicContact CD2-CD2 4.21Å; L942-L1025 HydrophobicContact CD2-CG 4.19Å; T945-L1025 HydrophobicContact CG2-CD2 4.06Å; R1021-L1025 VanDerWaalsContact O-CB 3.3Å; R1021-L1025 WeakPolarHBondContact O-CB 3.3Å; R1021-L1025 PolarHBondContact O-N 3.2Å; F1022-L1025 HydrophobicContact CD2-CD2 4.47Å; F1022-L1025 WeakPolarHBondContact O-CB 3.49Å; F1022-L1025 PolarHBondContact O-N 3.29Å; L1023-L1025 VanDerWaalsContact C-N 3.3Å; L1023-L1025 PolarHBondContact O-N 3.35Å; L1025-G1027 PolarHBondContact O-N 3.32Å; L1025-H1028 PolarHBondContact O-N 3.39Å; L1025-I1029 HydrophobicContact CD1-CD1 3.64Å; L1025-I1029 HydrophobicContact CD1-CG1 4.1Å; L1025-I1029 HydrophobicContact CG-CD1 3.8Å; L1025-I1029 HydrophobicContact CG-CG1 4.5Å; L1025-I1029 WeakPolarHBondContact O-CB 3Å; L1025-I1029 VanDerWaalsContact O-CG1 3.29Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.42Å; L1025-I1029 PolarHBondContact O-N 3.28Å |
| 1026 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.3 | -51.2 | 177.8 | -66.2 | 163.1 | 0 | 0 | 0 | 110.5 | L942 F1022 L1023 H1028 T1030 L1130 V1134 M1160 | L942-I1026 HydrophobicContact CD2-CG1 3.94Å; F1022-I1026 HydrophobicContact CD1-CD1 3.85Å; F1022-I1026 HydrophobicContact CE1-CD1 3.64Å; F1022-I1026 HydrophobicContact CE1-CG1 4.49Å; F1022-I1026 HydrophobicContact CE2-CD1 4.4Å; F1022-I1026 HydrophobicContact CE2-CG1 4.42Å; F1022-I1026 HydrophobicContact CG-CD1 4.33Å; F1022-I1026 HydrophobicContact CZ-CD1 3.93Å; F1022-I1026 HydrophobicContact CZ-CG1 4.35Å; F1022-I1026 VanDerWaalsContact O-CG1 3.25Å; F1022-I1026 WeakPolarHBondContact O-CG1 3.39Å; F1022-I1026 PolarHBondContact O-N 3.5Å; L1023-I1026 PolarHBondContact O-N 2.89Å; I1026-H1028 PolarHBondContact O-N 3.33Å; I1026-T1030 WeakPolarHBondContact O-CB 3.16Å; I1026-T1030 PolarHBondContact O-N 3.5Å; I1026-T1030 PolarHBondContact O-OG1 2.65Å; I1026-L1130 HydrophobicContact CD1-CB 4.28Å; I1026-L1130 HydrophobicContact CD1-CD1 4.48Å; I1026-L1130 HydrophobicContact CD1-CD2 3.89Å; I1026-L1130 HydrophobicContact CD1-CG 4.44Å; I1026-L1130 HydrophobicContact CG1-CD1 4.19Å; I1026-L1130 HydrophobicContact CG1-CD2 4.46Å; I1026-L1130 HydrophobicContact CG2-CB 4.08Å; I1026-V1134 HydrophobicContact CD1-CG2 4.38Å; I1026-V1134 HydrophobicContact CG2-CG2 4.2Å; I1026-M1160 HydrophobicContact CG2-CE 4.16Å; I1026-M1160 HydrophobicContact CG2-SD 3.84Å |
| 1027 | G | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1023 A1024 L1025 T1030 L1031 K1159 | L1023-G1027 PolarHBondContact O-N 3.25Å; A1024-G1027 PolarHBondContact O-N 2.72Å; L1025-G1027 PolarHBondContact O-N 3.32Å; G1027-T1030 PolarHBondContact O-N 3.18Å; G1027-L1031 PolarHBondContact O-N 2.91Å; G1027-K1159 VanDerWaalsContact C-CD 3.5Å; G1027-K1159 WeakPolarHBondContact O-CB 3.29Å; G1027-K1159 WeakPolarHBondContact O-CD 3.38Å |
| 1028 | H | 97.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.056 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.9 | -41.5 | -176.9 | -162.9 | 65.2 | 0 | 0 | 0 | 113.2 | M920 E921 A1024 L1025 I1026 T1030 L1031 K1032 K1159 | M920-H1028 HydrophobicContact CE-CB 4.28Å; M920-H1028 HydrophobicContact SD-CB 4.18Å; E921-H1028 VanDerWaalsContact CA-NE2 3.33Å; E921-H1028 WeakPolarHBondContact CA-NE2 3.43Å; E921-H1028 PolarHBondContact O-NE2 3.43Å; E921-H1028 IonicContact OE1-ND1 3.57Å; A1024-H1028 WeakPolarHBondContact O-CB 3.43Å; A1024-H1028 PolarHBondContact O-N 3.48Å; L1025-H1028 PolarHBondContact O-N 3.39Å; I1026-H1028 PolarHBondContact O-N 3.33Å; H1028-T1030 VanDerWaalsContact C-N 3.32Å; H1028-T1030 PolarHBondContact O-N 3.28Å; H1028-L1031 PolarHBondContact O-N 3.25Å; H1028-K1032 WeakPolarHBondContact O-CB 3.5Å; H1028-K1032 WeakPolarHBondContact O-CG 3.28Å; H1028-K1032 PolarHBondContact O-N 3.07Å; H1028-K1159 PolarHBondContact ND1-NZ 3.12Å |
| 1029 | I | 97.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 173.8 | -72.8 | 175.8 | 0 | 0 | 0 | 110.2 | I924 Y928 M938 L941 L942 L1025 L1031 K1032 Q1033 | I924-I1029 HydrophobicContact CD1-CD1 4.24Å; I924-I1029 HydrophobicContact CD1-CG1 3.73Å; Y928-I1029 PolarHBondContact OH-O 3.34Å; M938-I1029 HydrophobicContact CB-CD1 4.12Å; M938-I1029 HydrophobicContact CB-CG1 4.48Å; M938-I1029 HydrophobicContact CB-CG2 3.85Å; M938-I1029 HydrophobicContact CG-CD1 4.27Å; M938-I1029 HydrophobicContact CG-CG1 4.21Å; M938-I1029 HydrophobicContact CG-CG2 4.01Å; M938-I1029 HydrophobicContact SD-CD1 3.66Å; M938-I1029 HydrophobicContact SD-CG1 3.64Å; L941-I1029 HydrophobicContact CD2-CD1 4.49Å; L942-I1029 HydrophobicContact CD1-CD1 4.14Å; L942-I1029 HydrophobicContact CD1-CG2 4.3Å; L942-I1029 HydrophobicContact CD2-CD1 3.84Å; L942-I1029 HydrophobicContact CG-CD1 3.68Å; L1025-I1029 HydrophobicContact CD1-CD1 3.64Å; L1025-I1029 HydrophobicContact CD1-CG1 4.1Å; L1025-I1029 HydrophobicContact CG-CD1 3.8Å; L1025-I1029 HydrophobicContact CG-CG1 4.5Å; L1025-I1029 WeakPolarHBondContact O-CB 3Å; L1025-I1029 VanDerWaalsContact O-CG1 3.29Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.42Å; L1025-I1029 PolarHBondContact O-N 3.28Å; I1029-L1031 PolarHBondContact O-N 3.26Å; I1029-K1032 PolarHBondContact O-N 3.13Å; I1029-Q1033 WeakPolarHBondContact O-CB 3.41Å; I1029-Q1033 PolarHBondContact O-N 3.43Å |
| 1030 | T | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | -178.7 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | I1026 G1027 H1028 K1032 Q1033 L1034 L1127 M1160 V1163 | I1026-T1030 WeakPolarHBondContact O-CB 3.16Å; I1026-T1030 PolarHBondContact O-N 3.5Å; I1026-T1030 PolarHBondContact O-OG1 2.65Å; G1027-T1030 PolarHBondContact O-N 3.18Å; H1028-T1030 VanDerWaalsContact C-N 3.32Å; H1028-T1030 PolarHBondContact O-N 3.28Å; T1030-K1032 PolarHBondContact O-N 3.34Å; T1030-Q1033 PolarHBondContact O-N 2.85Å; T1030-L1034 PolarHBondContact O-N 3.49Å; T1030-L1127 HydrophobicContact CG2-CD1 4.42Å; T1030-M1160 HydrophobicContact CG2-CB 4.3Å; T1030-M1160 HydrophobicContact CG2-CG 3.92Å; T1030-V1163 HydrophobicContact CG2-CG2 3.49Å; T1030-V1163 VanDerWaalsContact CG2-CG2 3.49Å |
| 1031 | L | 96.2 | Very high | 95.2 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.225 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 176 | 178 | 63.2 | 0 | 0 | 0 | 112.1 | G1027 H1028 I1029 L1034 V1035 K1159 L1162 | G1027-L1031 PolarHBondContact O-N 2.91Å; H1028-L1031 PolarHBondContact O-N 3.25Å; I1029-L1031 PolarHBondContact O-N 3.26Å; L1031-L1034 WeakPolarHBondContact O-CB 3.4Å; L1031-L1034 PolarHBondContact O-N 3.36Å; L1031-V1035 HydrophobicContact CD1-CG2 4.43Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.46Å; L1031-V1035 PolarHBondContact O-N 3.48Å; L1031-K1159 HydrophobicContact CB-CB 4.12Å; L1031-K1159 HydrophobicContact CB-CD 4.07Å; L1031-K1159 HydrophobicContact CB-CG 4.13Å; L1031-K1159 HydrophobicContact CD2-CD 3.97Å; L1031-K1159 HydrophobicContact CD2-CG 4.06Å; L1031-L1162 HydrophobicContact CD1-CD1 3.85Å |
| 1032 | K | 96.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 23% | 0.226 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.2 | -34.9 | -179.6 | -72.7 | -74.2 | -178.7 | 174.2 | 0 | 112.1 | I924 S925 Y928 H1028 I1029 T1030 V1035 F1036 | I924-K1032 HydrophobicContact CG2-CB 4.31Å; I924-K1032 HydrophobicContact CG2-CG 4.12Å; S925-K1032 PolarHBondContact OG-NZ 3.45Å; Y928-K1032 HydrophobicContact CD2-CB 3.5Å; Y928-K1032 HydrophobicContact CD2-CG 4.3Å; Y928-K1032 HydrophobicContact CE2-CB 3.45Å; Y928-K1032 VanDerWaalsContact CE2-CB 3.45Å; Y928-K1032 HydrophobicContact CG-CB 4.07Å; H1028-K1032 WeakPolarHBondContact O-CB 3.5Å; H1028-K1032 WeakPolarHBondContact O-CG 3.28Å; H1028-K1032 PolarHBondContact O-N 3.07Å; I1029-K1032 PolarHBondContact O-N 3.13Å; T1030-K1032 PolarHBondContact O-N 3.34Å; K1032-V1035 PolarHBondContact O-N 3.46Å; K1032-F1036 WeakPolarHBondContact O-CB 3.37Å; K1032-F1036 PolarHBondContact O-N 2.97Å |
| 1033 | Q | 95.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 171.8 | -171.5 | 63.3 | 31.3 | 0 | 0 | 111.1 | Y928 I1029 T1030 F1036 M1037 L1119 | Y928-Q1033 HydrophobicContact CE1-CB 4.43Å; Y928-Q1033 VanDerWaalsContact CE1-OE1 3.25Å; Y928-Q1033 WeakPolarHBondContact OH-CB 3.35Å; Y928-Q1033 PolarHBondContact OH-OE1 3.3Å; I1029-Q1033 WeakPolarHBondContact O-CB 3.41Å; I1029-Q1033 PolarHBondContact O-N 3.43Å; T1030-Q1033 PolarHBondContact O-N 2.85Å; Q1033-F1036 WeakPolarHBondContact O-CB 3.34Å; Q1033-F1036 PolarHBondContact O-N 3.4Å; Q1033-M1037 VanDerWaalsContact O-CG 3.31Å; Q1033-M1037 WeakPolarHBondContact O-CG 3.23Å; Q1033-M1037 PolarHBondContact O-N 3.07Å; Q1033-L1119 HydrophobicContact CG-CD1 4.41Å; Q1033-L1119 HydrophobicContact CG-CD2 4.09Å |
| 1034 | L | 95 | Very high | 94 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.6 | -54.7 | 175.8 | 178.1 | 62.4 | 0 | 0 | 0 | 111.5 | T1030 L1031 F1036 M1037 E1038 C1115 L1162 V1163 | T1030-L1034 PolarHBondContact O-N 3.49Å; L1031-L1034 WeakPolarHBondContact O-CB 3.4Å; L1031-L1034 PolarHBondContact O-N 3.36Å; L1034-F1036 VanDerWaalsContact C-N 3.25Å; L1034-F1036 PolarHBondContact O-N 2.94Å; L1034-M1037 PolarHBondContact O-N 3.26Å; L1034-E1038 HydrophobicContact CD1-CG 4.32Å; L1034-E1038 PolarHBondContact O-N 3.48Å; L1034-C1115 HydrophobicContact CD1-CB 4.46Å; L1034-L1162 HydrophobicContact CD2-CB 3.79Å; L1034-L1162 WeakPolarHBondContact CD2-O 3.45Å; L1034-V1163 HydrophobicContact CB-CG2 4.39Å; L1034-V1163 HydrophobicContact CD2-CG2 4.34Å |
| 1035 | V | 94.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 30 Ų | 30 | 44% | 0.442 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.5 | -38.2 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L1031 K1032 S1039 | L1031-V1035 HydrophobicContact CD1-CG2 4.43Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.46Å; L1031-V1035 PolarHBondContact O-N 3.48Å; K1032-V1035 PolarHBondContact O-N 3.46Å; V1035-S1039 WeakPolarHBondContact O-CB 3.45Å; V1035-S1039 PolarHBondContact O-N 3.18Å |
| 1036 | F | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -64.5 | -44.2 | 177.8 | 177.6 | -104 | 0 | 0 | 0 | 112.2 | Y928 P934 K1032 Q1033 L1034 A1040 V1041 | Y928-F1036 HydrophobicContact CD1-CB 3.52Å; Y928-F1036 HydrophobicContact CD1-CD1 4.32Å; Y928-F1036 AromaticContact CD1-CD2 3.91Å; Y928-F1036 HydrophobicContact CD1-CD2 3.91Å; Y928-F1036 AromaticContact CD1-CG 3.66Å; Y928-F1036 HydrophobicContact CD1-CG 3.66Å; Y928-F1036 HydrophobicContact CE1-CB 3.81Å; Y928-F1036 HydrophobicContact CE1-CD1 4.33Å; Y928-F1036 HydrophobicContact CE1-CG 4.04Å; P934-F1036 HydrophobicContact CG-CD1 4.2Å; P934-F1036 HydrophobicContact CG-CD2 4.31Å; P934-F1036 HydrophobicContact CG-CE1 3.85Å; P934-F1036 HydrophobicContact CG-CE2 3.99Å; P934-F1036 HydrophobicContact CG-CG 4.42Å; P934-F1036 HydrophobicContact CG-CZ 3.74Å; K1032-F1036 WeakPolarHBondContact O-CB 3.37Å; K1032-F1036 PolarHBondContact O-N 2.97Å; Q1033-F1036 WeakPolarHBondContact O-CB 3.34Å; Q1033-F1036 PolarHBondContact O-N 3.4Å; L1034-F1036 VanDerWaalsContact C-N 3.25Å; L1034-F1036 PolarHBondContact O-N 2.94Å; F1036-A1040 HydrophobicContact CD2-CB 3.61Å; F1036-A1040 HydrophobicContact CE2-CB 3.76Å; F1036-A1040 HydrophobicContact CG-CB 4.39Å; F1036-A1040 WeakPolarHBondContact O-CA 3.33Å; F1036-A1040 WeakPolarHBondContact O-CB 3.43Å; F1036-A1040 PolarHBondContact O-N 3.42Å; F1036-V1041 HydrophobicContact CD1-CG2 3.89Å; F1036-V1041 HydrophobicContact CE1-CG2 3.54Å; F1036-V1041 HydrophobicContact CZ-CG2 4.01Å; F1036-V1041 PolarHBondContact O-N 3.39Å |
| 1037 | M | 93.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 34 Ų | 34 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -62.9 | -49.9 | 176.8 | -67.7 | -59.8 | -62.8 | 0 | 0 | 111.3 | Q1033 L1034 V1041 L1042 I1111 I1114 | Q1033-M1037 VanDerWaalsContact O-CG 3.31Å; Q1033-M1037 WeakPolarHBondContact O-CG 3.23Å; Q1033-M1037 PolarHBondContact O-N 3.07Å; L1034-M1037 PolarHBondContact O-N 3.26Å; M1037-V1041 HydrophobicContact CE-CG1 4.49Å; M1037-V1041 WeakPolarHBondContact O-CB 3.49Å; M1037-V1041 HydrophobicContact SD-CB 4.49Å; M1037-V1041 HydrophobicContact SD-CG2 3.93Å; M1037-L1042 PolarHBondContact O-N 2.96Å; M1037-L1042 VanDerWaalsContact O-N 3.08Å; M1037-I1111 HydrophobicContact CB-CG2 4.07Å; M1037-I1111 HydrophobicContact CE-CD1 3.85Å; M1037-I1114 HydrophobicContact CE-CB 4.33Å; M1037-I1114 HydrophobicContact CE-CD1 3.9Å; M1037-I1114 HydrophobicContact CE-CG2 3.82Å |
| 1038 | E | 91.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -77.2 | -29.3 | -173.2 | -66.2 | -173 | 142.3 | 0 | 0 | 114.5 | L1034 L1042 I1111 R1201 | L1034-E1038 HydrophobicContact CD1-CG 4.32Å; L1034-E1038 PolarHBondContact O-N 3.48Å; E1038-L1042 VanDerWaalsContact O-CB 3.24Å; E1038-L1042 WeakPolarHBondContact O-CB 3.36Å; E1038-L1042 WeakPolarHBondContact O-CD2 3.25Å; E1038-I1111 HydrophobicContact CG-CG2 4.06Å; E1038-R1201 IonicContact OE1-CZ 2.72Å; E1038-R1201 IonicContact OE1-NH1 2.97Å; E1038-R1201 PolarHBondContact OE1-NH1 2.9Å; E1038-R1201 IonicContact OE1-NH2 3.3Å; E1038-R1201 PolarHBondContact OE1-NH2 2.84Å; E1038-R1201 IonicContact OE2-CZ 3.22Å; E1038-R1201 IonicContact OE2-NH1 3.49Å; E1038-R1201 PolarHBondContact OE2-NH1 3.44Å; E1038-R1201 IonicContact OE2-NH2 3.24Å |
| 1039 | S | 89.8 | Confident | 91.2 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -99.1 | -60.6 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | V1035 T1043 | V1035-S1039 WeakPolarHBondContact O-CB 3.45Å; V1035-S1039 PolarHBondContact O-N 3.18Å; S1039-T1043 WeakPolarHBondContact O-CB 3.34Å; S1039-T1043 PolarHBondContact O-N 3.18Å; S1039-T1043 PolarHBondContact O-OG1 3.11Å |
| 1040 | A | 89.1 | Confident | 90.5 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 24% | 0.24 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -78.2 | -46.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1036 E1044 | F1036-A1040 HydrophobicContact CD2-CB 3.61Å; F1036-A1040 HydrophobicContact CE2-CB 3.76Å; F1036-A1040 HydrophobicContact CG-CB 4.39Å; F1036-A1040 WeakPolarHBondContact O-CA 3.33Å; F1036-A1040 WeakPolarHBondContact O-CB 3.43Å; F1036-A1040 PolarHBondContact O-N 3.42Å; A1040-E1044 WeakPolarHBondContact O-CB 3.16Å; A1040-E1044 PolarHBondContact O-N 3.19Å; A1040-E1044 VanDerWaalsContact O-N 3.1Å |
| 1041 | V | 90.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -70.5 | -46.9 | -180 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | F1036 M1037 T1043 E1044 L1045 I1111 | F1036-V1041 HydrophobicContact CD1-CG2 3.89Å; F1036-V1041 HydrophobicContact CE1-CG2 3.54Å; F1036-V1041 HydrophobicContact CZ-CG2 4.01Å; F1036-V1041 PolarHBondContact O-N 3.39Å; M1037-V1041 HydrophobicContact CE-CG1 4.49Å; M1037-V1041 WeakPolarHBondContact O-CB 3.49Å; M1037-V1041 HydrophobicContact SD-CB 4.49Å; M1037-V1041 HydrophobicContact SD-CG2 3.93Å; V1041-T1043 VanDerWaalsContact C-N 3.34Å; V1041-T1043 PolarHBondContact O-N 2.85Å; V1041-E1044 PolarHBondContact O-N 3.18Å; V1041-L1045 HydrophobicContact CG1-CD1 4.38Å; V1041-L1045 HydrophobicContact CG1-CG 4.4Å; V1041-L1045 WeakPolarHBondContact O-CG 3.4Å; V1041-L1045 PolarHBondContact O-N 3.15Å; V1041-I1111 HydrophobicContact CB-CD1 4.19Å; V1041-I1111 HydrophobicContact CG1-CD1 3.78Å |
| 1042 | L | 89.5 | Confident | 89.2 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -47.2 | 175.3 | -177.2 | 58.9 | 0 | 0 | 0 | 111.9 | M1037 E1038 E1044 L1045 K1046 E1107 A1108 I1111 | M1037-L1042 PolarHBondContact O-N 2.96Å; M1037-L1042 VanDerWaalsContact O-N 3.08Å; E1038-L1042 VanDerWaalsContact O-CB 3.24Å; E1038-L1042 WeakPolarHBondContact O-CB 3.36Å; E1038-L1042 WeakPolarHBondContact O-CD2 3.25Å; L1042-E1044 VanDerWaalsContact C-N 3.28Å; L1042-E1044 PolarHBondContact O-N 3.27Å; L1042-L1045 PolarHBondContact O-N 2.84Å; L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.14Å; L1042-E1107 HydrophobicContact CD1-CB 3.74Å; L1042-A1108 HydrophobicContact CD1-CB 4.37Å; L1042-A1108 HydrophobicContact CD2-CB 4.37Å; L1042-I1111 HydrophobicContact CB-CG1 4.3Å; L1042-I1111 HydrophobicContact CD1-CG1 4.24Å |
| 1043 | T | 87.5 | Confident | 88.4 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -36 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | S1039 V1041 R1047 | S1039-T1043 WeakPolarHBondContact O-CB 3.34Å; S1039-T1043 PolarHBondContact O-N 3.18Å; S1039-T1043 PolarHBondContact O-OG1 3.11Å; V1041-T1043 VanDerWaalsContact C-N 3.34Å; V1041-T1043 PolarHBondContact O-N 2.85Å; T1043-R1047 WeakPolarHBondContact O-CB 3.34Å; T1043-R1047 PolarHBondContact O-N 3.44Å |
| 1044 | E | 87.6 | Confident | 87.6 | Confident | 27 Ų | 27 | 55 Ų | 55 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.2 | -35.2 | 177.6 | 175.3 | 60.8 | -164.9 | 0 | 0 | 112.8 | P887 A1040 V1041 L1042 R1047 R1048 | P887-E1044 WeakPolarHBondContact CD-OE2 3.47Å; A1040-E1044 WeakPolarHBondContact O-CB 3.16Å; A1040-E1044 PolarHBondContact O-N 3.19Å; A1040-E1044 VanDerWaalsContact O-N 3.1Å; V1041-E1044 PolarHBondContact O-N 3.18Å; L1042-E1044 VanDerWaalsContact C-N 3.28Å; L1042-E1044 PolarHBondContact O-N 3.27Å; E1044-R1047 IonicContact OE1-CZ 2.79Å; E1044-R1047 IonicContact OE1-NE 3.71Å; E1044-R1047 IonicContact OE1-NH2 3.4Å; E1044-R1047 PolarHBondContact OE1-NH2 3.23Å; E1044-R1047 IonicContact OE2-CZ 3.65Å; E1044-R1047 IonicContact OE2-NE 3.27Å; E1044-R1047 PolarHBondContact OE2-NE 3.17Å; E1044-R1047 IonicContact OE2-NH2 2.76Å; E1044-R1047 PolarHBondContact OE2-NH2 3.2Å; E1044-R1048 WeakPolarHBondContact O-CG 3.47Å; E1044-R1048 PolarHBondContact O-N 3.03Å; E1044-R1048 VanDerWaalsContact O-N 3.09Å; E1044-R1048 IonicContact OE1-CZ 3.7Å; E1044-R1048 IonicContact OE1-NE 3.78Å; E1044-R1048 PolarHBondContact OE1-NE 3.47Å; E1044-R1048 IonicContact OE1-NH2 3.43Å; E1044-R1048 PolarHBondContact OE1-NH2 2.85Å |
| 1045 | L | 87.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 171.8 | -69 | 177.1 | 0 | 0 | 0 | 110.2 | V1041 L1042 R1047 R1048 S1049 E1107 Y1110 I1111 | V1041-L1045 HydrophobicContact CG1-CD1 4.38Å; V1041-L1045 HydrophobicContact CG1-CG 4.4Å; V1041-L1045 WeakPolarHBondContact O-CG 3.4Å; V1041-L1045 PolarHBondContact O-N 3.15Å; L1042-L1045 PolarHBondContact O-N 2.84Å; L1045-R1047 VanDerWaalsContact C-N 3.29Å; L1045-R1047 PolarHBondContact O-N 2.98Å; L1045-R1048 WeakPolarHBondContact O-CA 3.38Å; L1045-R1048 WeakPolarHBondContact O-CB 3.38Å; L1045-R1048 PolarHBondContact O-N 3.5Å; L1045-S1049 PolarHBondContact O-N 2.98Å; L1045-E1107 HydrophobicContact CB-CG 4.37Å; L1045-E1107 WeakPolarHBondContact CB-OE2 3.43Å; L1045-Y1110 HydrophobicContact CD1-CD1 4.26Å; L1045-I1111 HydrophobicContact CD1-CD1 4.05Å; L1045-I1111 HydrophobicContact CD1-CG1 4.31Å |
| 1046 | K | 86.9 | Confident | 86.2 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.1 | -45.6 | 176.4 | -69.9 | -173.1 | 177.6 | -157.8 | 0 | 112 | L1042 R1048 S1049 L1050 D1104 E1107 | L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.14Å; K1046-R1048 VanDerWaalsContact C-N 3.34Å; K1046-R1048 PolarHBondContact O-N 3.4Å; K1046-S1049 WeakPolarHBondContact O-CB 3.28Å; K1046-S1049 PolarHBondContact O-N 3.06Å; K1046-L1050 WeakPolarHBondContact O-CG 3.33Å; K1046-L1050 PolarHBondContact O-N 3.15Å; K1046-D1104 WeakPolarHBondContact CD-OD1 3.4Å; K1046-D1104 VanDerWaalsContact CE-CG 3.44Å; K1046-D1104 WeakPolarHBondContact CE-OD1 3.38Å; K1046-D1104 IonicContact NZ-OD1 2.78Å; K1046-D1104 PolarHBondContact NZ-OD1 3.41Å; K1046-D1104 IonicContact NZ-OD2 3.37Å; K1046-D1104 PolarHBondContact NZ-OD2 3.32Å; K1046-E1107 VanDerWaalsContact CA-OE2 3.23Å; K1046-E1107 WeakPolarHBondContact CA-OE2 3.25Å; K1046-E1107 WeakPolarHBondContact CG-OE2 3.24Å; K1046-E1107 PolarHBondContact N-OE2 3.03Å |
| 1047 | R | 85.5 | Confident | 85.3 | Confident | 30 Ų | 30 | 64 Ų | 64 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 176.8 | -174.8 | -174.3 | 79.2 | 69.4 | 16.9 | 112.4 | S883 L884 L885 T1043 E1044 L1045 I1051 | S883-R1047 VanDerWaalsContact O-CG 3.29Å; S883-R1047 WeakPolarHBondContact O-CG 3.46Å; L884-R1047 PolarHBondContact O-NH1 3.04Å; L884-R1047 VanDerWaalsContact O-NH1 3.12Å; L885-R1047 VanDerWaalsContact O-CD 3.24Å; L885-R1047 WeakPolarHBondContact O-CD 3.32Å; T1043-R1047 WeakPolarHBondContact O-CB 3.34Å; T1043-R1047 PolarHBondContact O-N 3.44Å; E1044-R1047 IonicContact OE1-CZ 2.79Å; E1044-R1047 IonicContact OE1-NE 3.71Å; E1044-R1047 IonicContact OE1-NH2 3.4Å; E1044-R1047 PolarHBondContact OE1-NH2 3.23Å; E1044-R1047 IonicContact OE2-CZ 3.65Å; E1044-R1047 IonicContact OE2-NE 3.27Å; E1044-R1047 PolarHBondContact OE2-NE 3.17Å; E1044-R1047 IonicContact OE2-NH2 2.76Å; E1044-R1047 PolarHBondContact OE2-NH2 3.2Å; L1045-R1047 VanDerWaalsContact C-N 3.29Å; L1045-R1047 PolarHBondContact O-N 2.98Å; R1047-I1051 HydrophobicContact CG-CD1 4.28Å; R1047-I1051 VanDerWaalsContact O-CG1 3.31Å; R1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; R1047-I1051 PolarHBondContact O-N 3.35Å; R1047-I1051 VanDerWaalsContact O-N 3.07Å |
| 1048 | R | 86.2 | Confident | 84.4 | Confident | 145 Ų | 145 | 68.5 Ų | 68.5 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 178.5 | -71.8 | 176.5 | -173.3 | -165.3 | 6.7 | 111.4 | E1044 L1045 K1046 I1051 Q1052 | E1044-R1048 WeakPolarHBondContact O-CG 3.47Å; E1044-R1048 PolarHBondContact O-N 3.03Å; E1044-R1048 VanDerWaalsContact O-N 3.09Å; E1044-R1048 IonicContact OE1-CZ 3.7Å; E1044-R1048 IonicContact OE1-NE 3.78Å; E1044-R1048 PolarHBondContact OE1-NE 3.47Å; E1044-R1048 IonicContact OE1-NH2 3.43Å; E1044-R1048 PolarHBondContact OE1-NH2 2.85Å; L1045-R1048 WeakPolarHBondContact O-CA 3.38Å; L1045-R1048 WeakPolarHBondContact O-CB 3.38Å; L1045-R1048 PolarHBondContact O-N 3.5Å; K1046-R1048 VanDerWaalsContact C-N 3.34Å; K1046-R1048 PolarHBondContact O-N 3.4Å; R1048-I1051 PolarHBondContact O-N 3.06Å; R1048-Q1052 PolarHBondContact O-N 2.87Å |
| 1049 | S | 84.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 74 Ų | 74 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 173.8 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | L1045 K1046 I1051 Q1052 E1053 E1107 | L1045-S1049 PolarHBondContact O-N 2.98Å; K1046-S1049 WeakPolarHBondContact O-CB 3.28Å; K1046-S1049 PolarHBondContact O-N 3.06Å; S1049-I1051 VanDerWaalsContact C-N 3.32Å; S1049-I1051 PolarHBondContact O-N 2.81Å; S1049-Q1052 CarbonylContact O-C 3.18Å; S1049-Q1052 WeakPolarHBondContact O-CA 3.28Å; S1049-Q1052 WeakPolarHBondContact O-CB 3.06Å; S1049-Q1052 PolarHBondContact O-N 2.85Å; S1049-E1053 PolarHBondContact O-N 3.22Å; S1049-E1107 WeakPolarHBondContact CB-OE1 3.34Å |
| 1050 | L | 83.2 | Confident | 82 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -39 | 176 | -72.6 | 170.3 | 0 | 0 | 0 | 113.3 | L884 K1046 Q1052 E1053 D1054 | L884-L1050 HydrophobicContact CD2-CB 4.03Å; K1046-L1050 WeakPolarHBondContact O-CG 3.33Å; K1046-L1050 PolarHBondContact O-N 3.15Å; L1050-Q1052 VanDerWaalsContact C-N 3.31Å; L1050-Q1052 PolarHBondContact O-N 3.49Å; L1050-E1053 PolarHBondContact O-N 3.17Å; L1050-D1054 WeakPolarHBondContact O-CB 3.04Å; L1050-D1054 PolarHBondContact O-N 2.92Å |
| 1051 | I | 82.6 | Confident | 80.5 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 174.8 | -72.9 | 170.2 | 0 | 0 | 0 | 111.3 | L884 R1047 R1048 S1049 R1055 | L884-I1051 HydrophobicContact CD2-CG1 3.64Å; R1047-I1051 HydrophobicContact CG-CD1 4.28Å; R1047-I1051 VanDerWaalsContact O-CG1 3.31Å; R1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; R1047-I1051 PolarHBondContact O-N 3.35Å; R1047-I1051 VanDerWaalsContact O-N 3.07Å; R1048-I1051 PolarHBondContact O-N 3.06Å; S1049-I1051 VanDerWaalsContact C-N 3.32Å; S1049-I1051 PolarHBondContact O-N 2.81Å; I1051-R1055 WeakPolarHBondContact O-CB 3.22Å; I1051-R1055 VanDerWaalsContact O-CG 3.22Å; I1051-R1055 WeakPolarHBondContact O-CG 3.38Å; I1051-R1055 PolarHBondContact O-N 3.48Å |
| 1052 | Q | 81.9 | Confident | 78.6 | Confident | 126 Ų | 126 | 85.8 Ų | 85.8 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.3 | -43.9 | 177.3 | -173.4 | 167 | -11.7 | 0 | 0 | 110.9 | R1048 S1049 L1050 R1055 D1056 | R1048-Q1052 PolarHBondContact O-N 2.87Å; S1049-Q1052 CarbonylContact O-C 3.18Å; S1049-Q1052 WeakPolarHBondContact O-CA 3.28Å; S1049-Q1052 WeakPolarHBondContact O-CB 3.06Å; S1049-Q1052 PolarHBondContact O-N 2.85Å; L1050-Q1052 VanDerWaalsContact C-N 3.31Å; L1050-Q1052 PolarHBondContact O-N 3.49Å; Q1052-R1055 WeakPolarHBondContact O-CB 3.39Å; Q1052-R1055 PolarHBondContact O-N 2.67Å; Q1052-D1056 PolarHBondContact O-N 2.99Å |
| 1053 | E | 80.8 | Confident | 76.9 | Confident | 85 Ų | 85 | 87.8 Ų | 87.8 | 40% | 0.397 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.4 | -69.9 | -173.8 | 164.3 | 0 | 0 | 112.6 | S1049 L1050 R1055 D1056 S1057 | S1049-E1053 PolarHBondContact O-N 3.22Å; L1050-E1053 PolarHBondContact O-N 3.17Å; E1053-R1055 VanDerWaalsContact C-N 3.3Å; E1053-R1055 PolarHBondContact O-N 3.01Å; E1053-D1056 PolarHBondContact O-N 3.22Å; E1053-S1057 WeakPolarHBondContact O-CB 3.18Å; E1053-S1057 PolarHBondContact O-N 2.9Å; E1053-S1057 PolarHBondContact O-OG 3.4Å |
| 1054 | D | 79.9 | Confident | 75.1 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 31% | 0.31 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 175.3 | 177.4 | 56.2 | 0 | 0 | 0 | 111.8 | L1050 S1057 K1058 | L1050-D1054 WeakPolarHBondContact O-CB 3.04Å; L1050-D1054 PolarHBondContact O-N 2.92Å; D1054-S1057 WeakPolarHBondContact CA-OG 3.42Å; D1054-S1057 PolarHBondContact O-OG 3.47Å; D1054-K1058 VanDerWaalsContact O-CB 3.31Å; D1054-K1058 WeakPolarHBondContact O-CB 3.49Å; D1054-K1058 WeakPolarHBondContact O-CD 3.47Å; D1054-K1058 VanDerWaalsContact O-CG 3.24Å; D1054-K1058 WeakPolarHBondContact O-CG 3.23Å; D1054-K1058 PolarHBondContact O-N 2.94Å; D1054-K1058 WeakPolarHBondContact OD1-CE 3.42Å; D1054-K1058 IonicContact OD1-NZ 3.76Å; D1054-K1058 PolarHBondContact OD1-NZ 2.98Å; D1054-K1058 WeakPolarHBondContact OD2-CE 3.47Å; D1054-K1058 IonicContact OD2-NZ 3.82Å; D1054-K1058 PolarHBondContact OD2-NZ 3.47Å |
| 1055 | R | 80.1 | Confident | 73.1 | Confident | 170 Ų | 170 | 101.4 Ų | 101.4 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 173.6 | -78 | 178.4 | 126.7 | -165.9 | -1.2 | 111.9 | I1051 Q1052 E1053 R1059 | I1051-R1055 WeakPolarHBondContact O-CB 3.22Å; I1051-R1055 VanDerWaalsContact O-CG 3.22Å; I1051-R1055 WeakPolarHBondContact O-CG 3.38Å; I1051-R1055 PolarHBondContact O-N 3.48Å; Q1052-R1055 WeakPolarHBondContact O-CB 3.39Å; Q1052-R1055 PolarHBondContact O-N 2.67Å; E1053-R1055 VanDerWaalsContact C-N 3.3Å; E1053-R1055 PolarHBondContact O-N 3.01Å; R1055-R1059 WeakPolarHBondContact O-CG 3.42Å; R1055-R1059 PolarHBondContact O-N 3.49Å |
| 1056 | D | 79.5 | Confident | 71 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 35% | 0.348 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.8 | -36 | -179.7 | -73.2 | -20.7 | 0 | 0 | 0 | 112.3 | Q1052 E1053 R1059 K1060 | Q1052-D1056 PolarHBondContact O-N 2.99Å; E1053-D1056 PolarHBondContact O-N 3.22Å; D1056-R1059 PolarHBondContact O-N 2.92Å; D1056-R1059 IonicContact OD1-NH1 2.76Å; D1056-K1060 WeakPolarHBondContact O-CG 3.44Å; D1056-K1060 PolarHBondContact O-N 3.04Å |
| 1057 | S | 73.9 | Confident | 69.2 | Low | 62 Ų | 62 | 107.6 Ų | 107.6 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 172 | 73.3 | 0 | 0 | 0 | 0 | 111.4 | E1053 D1054 R1059 K1060 S1061 | E1053-S1057 WeakPolarHBondContact O-CB 3.18Å; E1053-S1057 PolarHBondContact O-N 2.9Å; E1053-S1057 PolarHBondContact O-OG 3.4Å; D1054-S1057 WeakPolarHBondContact CA-OG 3.42Å; D1054-S1057 PolarHBondContact O-OG 3.47Å; S1057-R1059 VanDerWaalsContact C-N 3.35Å; S1057-R1059 PolarHBondContact O-N 2.79Å; S1057-K1060 PolarHBondContact O-N 3.37Å; S1057-S1061 PolarHBondContact O-N 2.86Å |
| 1058 | K | 73.7 | Confident | 67 | Low | 113 Ų | 113 | 116.6 Ų | 116.6 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 172.7 | -76.9 | 171 | -178.4 | 161.7 | 0 | 112.4 | D1054 S1061 K1062 | D1054-K1058 VanDerWaalsContact O-CB 3.31Å; D1054-K1058 WeakPolarHBondContact O-CB 3.49Å; D1054-K1058 WeakPolarHBondContact O-CD 3.47Å; D1054-K1058 VanDerWaalsContact O-CG 3.24Å; D1054-K1058 WeakPolarHBondContact O-CG 3.23Å; D1054-K1058 PolarHBondContact O-N 2.94Å; D1054-K1058 WeakPolarHBondContact OD1-CE 3.42Å; D1054-K1058 IonicContact OD1-NZ 3.76Å; D1054-K1058 PolarHBondContact OD1-NZ 2.98Å; D1054-K1058 WeakPolarHBondContact OD2-CE 3.47Å; D1054-K1058 IonicContact OD2-NZ 3.82Å; D1054-K1058 PolarHBondContact OD2-NZ 3.47Å; K1058-S1061 PolarHBondContact O-OG 3.11Å; K1058-K1062 PolarHBondContact O-N 3.07Å |
| 1059 | R | 69.6 | Low | 64.8 | Low | 177 Ų | 177 | 117.7 Ų | 117.7 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 173.5 | -77.2 | 171.7 | 169.4 | -176.3 | -4.4 | 112.1 | R1055 D1056 S1057 S1061 K1062 S1063 | R1055-R1059 WeakPolarHBondContact O-CG 3.42Å; R1055-R1059 PolarHBondContact O-N 3.49Å; D1056-R1059 PolarHBondContact O-N 2.92Å; D1056-R1059 IonicContact OD1-NH1 2.76Å; S1057-R1059 VanDerWaalsContact C-N 3.35Å; S1057-R1059 PolarHBondContact O-N 2.79Å; R1059-S1061 PolarHBondContact O-N 3.12Å; R1059-K1062 PolarHBondContact O-N 3.09Å; R1059-S1063 PolarHBondContact O-N 3.21Å; R1059-S1063 VanDerWaalsContact O-N 3.15Å |
| 1060 | K | 62.6 | Low | 62.7 | Low | 162 Ų | 162 | 120.3 Ų | 120.3 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -39.2 | 176 | -73.3 | 177.9 | -178.4 | 174.9 | 0 | 112.3 | D1056 S1057 S1063 R1064 | D1056-K1060 WeakPolarHBondContact O-CG 3.44Å; D1056-K1060 PolarHBondContact O-N 3.04Å; S1057-K1060 PolarHBondContact O-N 3.37Å; K1060-S1063 WeakPolarHBondContact O-CB 3.41Å; K1060-S1063 PolarHBondContact O-N 2.85Å; K1060-R1064 PolarHBondContact O-N 3.46Å |
| 1061 | S | 55.9 | Low | 60.4 | Low | 69 Ų | 69 | 127.8 Ų | 127.8 | 48% | 0.483 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -37.4 | 177.1 | 77.1 | 0 | 0 | 0 | 0 | 113.5 | S1057 K1058 R1059 R1064 K1065 | S1057-S1061 PolarHBondContact O-N 2.86Å; K1058-S1061 PolarHBondContact O-OG 3.11Å; R1059-S1061 PolarHBondContact O-N 3.12Å; S1061-R1064 PolarHBondContact O-N 3.4Å; S1061-K1065 PolarHBondContact O-N 3.22Å |
| 1062 | K | 52.5 | Low | 57.9 | Low | 155 Ų | 155 | 133.8 Ų | 133.8 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.3 | -36.5 | 174.3 | -74.9 | -178.5 | 177.8 | 176.8 | 0 | 112.1 | K1058 R1059 K1065 N1066 | K1058-K1062 PolarHBondContact O-N 3.07Å; R1059-K1062 PolarHBondContact O-N 3.09Å; K1062-K1065 PolarHBondContact O-N 3.06Å; K1062-N1066 PolarHBondContact O-N 3.42Å |
| 1063 | S | 52.7 | Low | 55.6 | Low | 68 Ų | 68 | 133.1 Ų | 133.1 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.7 | -42.2 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | R1059 K1060 K1065 N1066 I1067 | R1059-S1063 PolarHBondContact O-N 3.21Å; R1059-S1063 VanDerWaalsContact O-N 3.15Å; K1060-S1063 WeakPolarHBondContact O-CB 3.41Å; K1060-S1063 PolarHBondContact O-N 2.85Å; S1063-K1065 PolarHBondContact O-N 3.22Å; S1063-N1066 PolarHBondContact O-N 3.15Å; S1063-I1067 PolarHBondContact O-N 3.19Å |
| 1064 | R | 49.3 | Very low | 53.5 | Low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.8 | -31.6 | 177.1 | -95.1 | -179.6 | 175.1 | 157.2 | -0.9 | 113.9 | K1060 S1061 | K1060-R1064 PolarHBondContact O-N 3.46Å; S1061-R1064 PolarHBondContact O-N 3.4Å |
| 1065 | K | 46 | Very low | 51.2 | Low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.735 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.6 | -35.5 | 173.9 | -88.6 | -175 | 177.1 | 176.4 | 0 | 112.7 | S1061 K1062 S1063 I1067 R1068 | S1061-K1065 PolarHBondContact O-N 3.22Å; K1062-K1065 PolarHBondContact O-N 3.06Å; S1063-K1065 PolarHBondContact O-N 3.22Å; K1065-I1067 PolarHBondContact O-N 2.9Å; K1065-R1068 PolarHBondContact O-N 3.28Å |
| 1066 | N | 44.2 | Very low | 48.6 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.3 | -27.4 | 179.5 | -79.7 | 2 | 0 | 0 | 0 | 113.6 | K1062 S1063 | K1062-N1066 PolarHBondContact O-N 3.42Å; S1063-N1066 PolarHBondContact O-N 3.15Å |
| 1067 | I | 48.5 | Very low | 46.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.5 | -31.2 | 177.9 | -73.9 | 170.2 | 0 | 0 | 0 | 112.2 | S1063 K1065 Q1069 S1070 | S1063-I1067 PolarHBondContact O-N 3.19Å; K1065-I1067 PolarHBondContact O-N 2.9Å; I1067-Q1069 PolarHBondContact O-N 2.81Å; I1067-S1070 PolarHBondContact O-N 2.87Å; I1067-S1070 PolarHBondContact O-OG 3.29Å |
| 1068 | R | 40 | Very low | 44 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -72.9 | -21.7 | 179.3 | -93.7 | -175.5 | 173.2 | 175.5 | -1.2 | 114.6 | K1065 S1070 | K1065-R1068 PolarHBondContact O-N 3.28Å; R1068-S1070 VanDerWaalsContact C-N 3.27Å; R1068-S1070 PolarHBondContact O-N 3.42Å |
| 1069 | Q | 39.6 | Very low | 41.8 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -13.5 | 174.9 | -92.4 | -179.5 | -19.7 | 0 | 0 | 113.8 | I1067 | I1067-Q1069 PolarHBondContact O-N 2.81Š|
| 1070 | S | 40.7 | Very low | 39.7 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.1 | -176.6 | 68 | 0 | 0 | 0 | 0 | 115.5 | I1067 R1068 | I1067-S1070 PolarHBondContact O-N 2.87Å; I1067-S1070 PolarHBondContact O-OG 3.29Å; R1068-S1070 VanDerWaalsContact C-N 3.27Å; R1068-S1070 PolarHBondContact O-N 3.42Å |
| 1071 | R | 34 | Very low | 38.3 | Very low | 230 Ų | 230 | 145.7 Ų | 145.7 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -129.6 | 16.4 | -173.7 | -100.1 | -177.2 | 167.6 | 162.7 | -2.7 | 117 | ||
| 1072 | M | 31 | Very low | 36.9 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -116.4 | 66 | 170.7 | -69.4 | -168.9 | 67.3 | 0 | 0 | 111.3 | ||||
| 1073 | S | 33.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -142 | 48 | 160.3 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1074 | V | 37 | Very low | 34.6 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -140.2 | 104 | 154.5 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||
| 1075 | M | 30.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 57.1 | 110.9 | 149.2 | -140.8 | 70.6 | 144.3 | 0 | 0 | 119.7 | N1077 | M1075-N1077 PolarHBondContact O-N 2.76Š| ||
| 1076 | E | 26.2 | Very low | 32.9 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -53.5 | 123.2 | 159.9 | -65.1 | 167.9 | 145.6 | 0 | 0 | 111.5 | ||||
| 1077 | N | 29.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -162.5 | 98.5 | 143.7 | -112.5 | -4.1 | 0 | 0 | 0 | 110.8 | M1075 | M1075-N1077 PolarHBondContact O-N 2.76Š| ||
| 1078 | S | 28 | Very low | 31.5 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 47.8 | 108 | 124.6 | -42.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1079 | V | 27.5 | Very low | 31 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 78.3 | 110.7 | 128.6 | -175.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1080 | N | 25.5 | Very low | 30.7 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 44.3 | 110.7 | 139.4 | -64.5 | 2 | 0 | 0 | 0 | 120.9 | ||||
| 1081 | V | 31.6 | Very low | 30.6 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | -138.7 | 116.2 | 125.8 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1082 | S | 26.2 | Very low | 31 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 118.2 | 166.9 | 28.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1083 | S | 28.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -172.9 | 135.3 | 164.5 | -71.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1084 | G | 29.3 | Very low | 31.7 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | -177.9 | 138.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1085 | I | 28.1 | Very low | 31.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | trans | -14.6 | 118.3 | 169.8 | -61.6 | 151.8 | 0 | 0 | 0 | 115.3 | T1087 | I1085-T1087 HydrophobicContact CG2-CG2 4.25Š| ||
| 1086 | T | 31.7 | Very low | 32.2 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -124.1 | 115.4 | 146.3 | 46.1 | 0 | 0 | 0 | 0 | 107.9 | G1088 | T1086-G1088 PolarHBondContact O-N 3.46Š| ||
| 1087 | T | 31.1 | Very low | 33.2 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -65 | 101.7 | 172.5 | 41.8 | 0 | 0 | 0 | 0 | 109.5 | I1085 | I1085-T1087 HydrophobicContact CG2-CG2 4.25Š| ||
| 1088 | G | 30.9 | Very low | 33.9 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | -139.8 | 85.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | T1086 P1090 | T1086-G1088 PolarHBondContact O-N 3.46Å; G1088-P1090 WeakPolarHBondContact O-CD 3.38Å | ||
| 1089 | Q | 29.8 | Very low | 35 | Very low | 191 Ų | 191 | 119.6 Ų | 119.6 | 89% | 0.893 | 72% | 0.723 | S | S | * | * | trans | -63.3 | 120.3 | 170.9 | -81.3 | 177.2 | -46.2 | 0 | 0 | 108 | T1091 | Q1089-T1091 PolarHBondContact O-N 3.34Š| ||
| 1090 | P | 35 | Very low | 36.3 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -80.9 | 117.7 | 174.1 | 31.3 | -28.1 | 0 | 0 | 0 | 108.9 | G1088 V1092 | G1088-P1090 WeakPolarHBondContact O-CD 3.38Å; P1090-V1092 HydrophobicContact CB-CG2 4.1Å; P1090-V1092 PolarHBondContact O-N 3.21Å | ||
| 1091 | T | 36.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -69.2 | 53.1 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | Q1089 | Q1089-T1091 PolarHBondContact O-N 3.34Š| ||
| 1092 | V | 43 | Very low | 39.2 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 58% | 0.582 | 67% | 0.672 | S | S | * | * | trans | -91.6 | -17.1 | -173.9 | 179.1 | 0 | 0 | 0 | 0 | 113 | P1090 S1096 | P1090-V1092 HydrophobicContact CB-CG2 4.1Å; P1090-V1092 PolarHBondContact O-N 3.21Å; V1092-S1096 PolarHBondContact O-OG 3.37Å | ||
| 1093 | D | 39.6 | Very low | 41 | Very low | 147 Ų | 147 | 104.1 Ų | 104.1 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.4 | -24.2 | -175.4 | -72.1 | -20.6 | 0 | 0 | 0 | 113.9 | S1096 | D1093-S1096 PolarHBondContact O-OG 3.16Å |
| 1094 | E | 39 | Very low | 42.9 | Very low | 157 Ų | 157 | 101.6 Ų | 101.6 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.1 | -35.7 | 179.5 | -77.4 | -177.4 | 167.1 | 0 | 0 | 113.9 | S1096 G1097 L1098 | E1094-S1096 VanDerWaalsContact C-N 3.31Å; E1094-S1096 PolarHBondContact O-N 3.15Å; E1094-G1097 PolarHBondContact O-N 2.86Å; E1094-L1098 PolarHBondContact O-N 3.41Å |
| 1095 | E | 37.3 | Very low | 45.3 | Very low | 148 Ų | 148 | 102.7 Ų | 102.7 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.1 | -32.4 | 178.5 | -82.6 | -173 | 163.7 | 0 | 0 | 112.4 | G1097 L1098 V1099 | E1095-G1097 VanDerWaalsContact C-N 3.33Å; E1095-G1097 PolarHBondContact O-N 3.4Å; E1095-L1098 PolarHBondContact O-N 3.2Å; E1095-V1099 WeakPolarHBondContact O-CG2 3.2Å; E1095-V1099 PolarHBondContact O-N 3.09Å |
| 1096 | S | 41.5 | Very low | 48 | Very low | 78 Ų | 78 | 99.2 Ų | 99.2 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -31.9 | 175.1 | 27.2 | 0 | 0 | 0 | 0 | 113.5 | V1092 D1093 E1094 | V1092-S1096 PolarHBondContact O-OG 3.37Å; D1093-S1096 PolarHBondContact O-OG 3.16Å; E1094-S1096 VanDerWaalsContact C-N 3.31Å; E1094-S1096 PolarHBondContact O-N 3.15Å |
| 1097 | G | 48.2 | Very low | 50.6 | Low | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.6 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1094 E1095 V1099 G1100 V1101 | E1094-G1097 PolarHBondContact O-N 2.86Å; E1095-G1097 VanDerWaalsContact C-N 3.33Å; E1095-G1097 PolarHBondContact O-N 3.4Å; G1097-V1099 PolarHBondContact O-N 3.4Å; G1097-G1100 PolarHBondContact O-N 2.89Å; G1097-V1101 WeakPolarHBondContact O-CG2 3.43Å; G1097-V1101 PolarHBondContact O-N 3.17Å |
| 1098 | L | 43 | Very low | 53.3 | Low | 121 Ų | 121 | 88.6 Ų | 88.6 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | -179.9 | -84 | 154.5 | 0 | 0 | 0 | 113.2 | E1094 E1095 G1100 V1101 A1102 | E1094-L1098 PolarHBondContact O-N 3.41Å; E1095-L1098 PolarHBondContact O-N 3.2Å; L1098-G1100 VanDerWaalsContact C-N 3.34Å; L1098-V1101 PolarHBondContact O-N 3.08Å; L1098-A1102 PolarHBondContact O-N 3.2Å; L1098-A1102 VanDerWaalsContact O-N 3.16Å |
| 1099 | V | 51 | Low | 56 | Low | 90 Ų | 90 | 89.1 Ų | 89.1 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | E1095 G1097 A1102 A1103 | E1095-V1099 WeakPolarHBondContact O-CG2 3.2Å; E1095-V1099 PolarHBondContact O-N 3.09Å; G1097-V1099 PolarHBondContact O-N 3.4Å; V1099-A1102 PolarHBondContact O-N 3.06Å; V1099-A1103 WeakPolarHBondContact O-CB 3.38Å; V1099-A1103 PolarHBondContact O-N 3.45Å |
| 1100 | G | 54.4 | Low | 59 | Low | 28 Ų | 28 | 86.4 Ų | 86.4 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1097 L1098 A1103 D1104 | G1097-G1100 PolarHBondContact O-N 2.89Å; L1098-G1100 VanDerWaalsContact C-N 3.34Å; G1100-A1103 PolarHBondContact O-N 3.32Å; G1100-D1104 WeakPolarHBondContact O-CB 3.48Å; G1100-D1104 PolarHBondContact O-N 3.45Å |
| 1101 | V | 57.1 | Low | 61.7 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 111 | G1097 L1098 A1103 D1104 D1105 | G1097-V1101 WeakPolarHBondContact O-CG2 3.43Å; G1097-V1101 PolarHBondContact O-N 3.17Å; L1098-V1101 PolarHBondContact O-N 3.08Å; V1101-A1103 PolarHBondContact O-N 3.21Å; V1101-D1104 PolarHBondContact O-N 3.43Å; V1101-D1105 PolarHBondContact O-N 2.77Å |
| 1102 | A | 60.9 | Low | 64.1 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1098 V1099 D1105 T1106 | L1098-A1102 PolarHBondContact O-N 3.2Å; L1098-A1102 VanDerWaalsContact O-N 3.16Å; V1099-A1102 PolarHBondContact O-N 3.06Å; A1102-D1105 PolarHBondContact O-N 3.5Å; A1102-T1106 WeakPolarHBondContact O-CG2 3.31Å; A1102-T1106 PolarHBondContact O-N 3.43Å |
| 1103 | A | 64.6 | Low | 66.3 | Low | 23 Ų | 23 | 80.8 Ų | 80.8 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1099 G1100 V1101 D1105 T1106 E1107 | V1099-A1103 WeakPolarHBondContact O-CB 3.38Å; V1099-A1103 PolarHBondContact O-N 3.45Å; G1100-A1103 PolarHBondContact O-N 3.32Å; V1101-A1103 PolarHBondContact O-N 3.21Å; A1103-D1105 VanDerWaalsContact C-N 3.25Å; A1103-D1105 PolarHBondContact O-N 3.21Å; A1103-T1106 PolarHBondContact O-N 3.38Å; A1103-T1106 VanDerWaalsContact O-N 3.15Å; A1103-T1106 PolarHBondContact O-OG1 3.05Å; A1103-E1107 PolarHBondContact O-N 3.46Å |
| 1104 | D | 69.4 | Low | 68.7 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 35% | 0.348 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.1 | -37.5 | 176.6 | -90.4 | 8.4 | 0 | 0 | 0 | 112.6 | K1046 G1100 V1101 A1108 | K1046-D1104 WeakPolarHBondContact CD-OD1 3.4Å; K1046-D1104 VanDerWaalsContact CE-CG 3.44Å; K1046-D1104 WeakPolarHBondContact CE-OD1 3.38Å; K1046-D1104 IonicContact NZ-OD1 2.78Å; K1046-D1104 PolarHBondContact NZ-OD1 3.41Å; K1046-D1104 IonicContact NZ-OD2 3.37Å; K1046-D1104 PolarHBondContact NZ-OD2 3.32Å; G1100-D1104 WeakPolarHBondContact O-CB 3.48Å; G1100-D1104 PolarHBondContact O-N 3.45Å; V1101-D1104 PolarHBondContact O-N 3.43Å; D1104-A1108 WeakPolarHBondContact O-CB 3.47Å; D1104-A1108 PolarHBondContact O-N 3.18Å; D1104-A1108 VanDerWaalsContact O-N 3.16Å |
| 1105 | D | 79.3 | Confident | 71.2 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 176.6 | -72.4 | -21.8 | 0 | 0 | 0 | 111.8 | V1101 A1102 A1103 E1107 A1108 D1109 | V1101-D1105 PolarHBondContact O-N 2.77Å; A1102-D1105 PolarHBondContact O-N 3.5Å; A1103-D1105 VanDerWaalsContact C-N 3.25Å; A1103-D1105 PolarHBondContact O-N 3.21Å; D1105-E1107 PolarHBondContact O-N 3.49Å; D1105-A1108 PolarHBondContact O-N 2.84Å; D1105-D1109 WeakPolarHBondContact O-CB 3.47Å; D1105-D1109 VanDerWaalsContact O-CG 3.31Å; D1105-D1109 PolarHBondContact O-N 3.41Å |
| 1106 | T | 84.8 | Confident | 73.5 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 178.3 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | A1102 A1103 D1109 Y1110 | A1102-T1106 WeakPolarHBondContact O-CG2 3.31Å; A1102-T1106 PolarHBondContact O-N 3.43Å; A1103-T1106 PolarHBondContact O-N 3.38Å; A1103-T1106 VanDerWaalsContact O-N 3.15Å; A1103-T1106 PolarHBondContact O-OG1 3.05Å; T1106-D1109 PolarHBondContact O-N 3.27Å; T1106-Y1110 WeakPolarHBondContact O-CB 3.24Å; T1106-Y1110 PolarHBondContact O-N 3.05Å |
| 1107 | E | 87.2 | Confident | 75.6 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.5 | -38.7 | 176.4 | -66.5 | -176.4 | 171 | 0 | 0 | 111.3 | L1042 L1045 K1046 S1049 A1103 D1105 Y1110 I1111 | L1042-E1107 HydrophobicContact CD1-CB 3.74Å; L1045-E1107 HydrophobicContact CB-CG 4.37Å; L1045-E1107 WeakPolarHBondContact CB-OE2 3.43Å; K1046-E1107 VanDerWaalsContact CA-OE2 3.23Å; K1046-E1107 WeakPolarHBondContact CA-OE2 3.25Å; K1046-E1107 WeakPolarHBondContact CG-OE2 3.24Å; K1046-E1107 PolarHBondContact N-OE2 3.03Å; S1049-E1107 WeakPolarHBondContact CB-OE1 3.34Å; A1103-E1107 PolarHBondContact O-N 3.46Å; D1105-E1107 PolarHBondContact O-N 3.49Å; E1107-Y1110 PolarHBondContact O-N 3.18Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.44Å; E1107-I1111 PolarHBondContact O-N 3.42Å |
| 1108 | A | 86.9 | Confident | 77.5 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1042 D1104 D1105 I1111 R1112 | L1042-A1108 HydrophobicContact CD1-CB 4.37Å; L1042-A1108 HydrophobicContact CD2-CB 4.37Å; D1104-A1108 WeakPolarHBondContact O-CB 3.47Å; D1104-A1108 PolarHBondContact O-N 3.18Å; D1104-A1108 VanDerWaalsContact O-N 3.16Å; D1105-A1108 PolarHBondContact O-N 2.84Å; A1108-I1111 PolarHBondContact O-N 3.21Å; A1108-R1112 WeakPolarHBondContact O-CB 3.37Å; A1108-R1112 PolarHBondContact O-N 3.45Å |
| 1109 | D | 88.3 | Confident | 79.7 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.3 | -78.3 | -30.3 | 0 | 0 | 0 | 111.4 | D1105 T1106 R1112 H1113 | D1105-D1109 WeakPolarHBondContact O-CB 3.47Å; D1105-D1109 VanDerWaalsContact O-CG 3.31Å; D1105-D1109 PolarHBondContact O-N 3.41Å; T1106-D1109 PolarHBondContact O-N 3.27Å; D1109-R1112 PolarHBondContact O-N 3.14Å; D1109-R1112 IonicContact OD1-CZ 3.94Å; D1109-R1112 IonicContact OD1-NH1 3.25Å; D1109-R1112 PolarHBondContact OD1-NH1 2.91Å; D1109-R1112 IonicContact OD1-NH2 3.9Å; D1109-R1112 PolarHBondContact OD1-NH2 3.28Å; D1109-H1113 WeakPolarHBondContact O-CB 3.49Å; D1109-H1113 PolarHBondContact O-N 3.05Å |
| 1110 | Y | 91.5 | Very high | 81.6 | Confident | 133 Ų | 133 | 55.7 Ų | 55.7 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.2 | 177.6 | -110.1 | 0 | 0 | 0 | 112.1 | L1045 T1106 E1107 H1113 I1114 | L1045-Y1110 HydrophobicContact CD1-CD1 4.26Å; T1106-Y1110 WeakPolarHBondContact O-CB 3.24Å; T1106-Y1110 PolarHBondContact O-N 3.05Å; E1107-Y1110 PolarHBondContact O-N 3.18Å; Y1110-H1113 WeakPolarHBondContact O-CB 3.41Å; Y1110-H1113 PolarHBondContact O-N 2.98Å; Y1110-I1114 HydrophobicContact CD1-CD1 4.05Å; Y1110-I1114 HydrophobicContact CE1-CD1 3.51Å; Y1110-I1114 HydrophobicContact CE1-CG1 4.5Å; Y1110-I1114 HydrophobicContact CE2-CD1 4.31Å; Y1110-I1114 WeakPolarHBondContact O-CG1 3.3Å; Y1110-I1114 PolarHBondContact O-N 2.92Å; Y1110-I1114 VanDerWaalsContact O-N 3.09Å |
| 1111 | I | 91.6 | Very high | 82.9 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.7 | -66 | -68.1 | 0 | 0 | 0 | 111.2 | M1037 E1038 V1041 L1042 L1045 E1107 A1108 H1113 I1114 C1115 | M1037-I1111 HydrophobicContact CB-CG2 4.07Å; M1037-I1111 HydrophobicContact CE-CD1 3.85Å; E1038-I1111 HydrophobicContact CG-CG2 4.06Å; V1041-I1111 HydrophobicContact CB-CD1 4.19Å; V1041-I1111 HydrophobicContact CG1-CD1 3.78Å; L1042-I1111 HydrophobicContact CB-CG1 4.3Å; L1042-I1111 HydrophobicContact CD1-CG1 4.24Å; L1045-I1111 HydrophobicContact CD1-CD1 4.05Å; L1045-I1111 HydrophobicContact CD1-CG1 4.31Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.44Å; E1107-I1111 PolarHBondContact O-N 3.42Å; A1108-I1111 PolarHBondContact O-N 3.21Å; I1111-H1113 VanDerWaalsContact C-N 3.35Å; I1111-H1113 PolarHBondContact O-N 3.44Å; I1111-I1114 PolarHBondContact O-N 3.33Å; I1111-C1115 PolarHBondContact O-N 2.81Å; I1111-C1115 PolarHBondContact O-SG 2.96Å |
| 1112 | R | 88.1 | Confident | 84 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 174.6 | -84.8 | -175 | -84.8 | 106.2 | -1.9 | 111.8 | A1108 D1109 I1114 C1115 D1116 | A1108-R1112 WeakPolarHBondContact O-CB 3.37Å; A1108-R1112 PolarHBondContact O-N 3.45Å; D1109-R1112 PolarHBondContact O-N 3.14Å; D1109-R1112 IonicContact OD1-CZ 3.94Å; D1109-R1112 IonicContact OD1-NH1 3.25Å; D1109-R1112 PolarHBondContact OD1-NH1 2.91Å; D1109-R1112 IonicContact OD1-NH2 3.9Å; D1109-R1112 PolarHBondContact OD1-NH2 3.28Å; R1112-I1114 VanDerWaalsContact C-N 3.33Å; R1112-I1114 PolarHBondContact O-N 3.5Å; R1112-C1115 PolarHBondContact O-N 2.64Å; R1112-C1115 VanDerWaalsContact O-N 3.15Å; R1112-D1116 WeakPolarHBondContact O-CB 3.44Å; R1112-D1116 VanDerWaalsContact O-CG 3.32Å; R1112-D1116 PolarHBondContact O-N 3.29Å |
| 1113 | H | 89.6 | Confident | 84.9 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.4 | -178.9 | -81.6 | 0 | 0 | 0 | 112.4 | D1109 Y1110 I1111 D1116 H1117 | D1109-H1113 WeakPolarHBondContact O-CB 3.49Å; D1109-H1113 PolarHBondContact O-N 3.05Å; Y1110-H1113 WeakPolarHBondContact O-CB 3.41Å; Y1110-H1113 PolarHBondContact O-N 2.98Å; I1111-H1113 VanDerWaalsContact C-N 3.35Å; I1111-H1113 PolarHBondContact O-N 3.44Å; H1113-D1116 PolarHBondContact O-N 3.27Å; H1113-H1117 AromaticContact CD2-CD2 3.6Å; H1113-H1117 AromaticContact CE1-CD2 3.99Å; H1113-H1117 AromaticContact NE2-CD2 3.6Å; H1113-H1117 WeakPolarHBondContact O-CB 3.36Å; H1113-H1117 PolarHBondContact O-CD2 3.26Å; H1113-H1117 PolarHBondContact O-N 3.36Å |
| 1114 | I | 89.7 | Confident | 85.6 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 175.2 | -64.7 | 169.7 | 0 | 0 | 0 | 110.7 | M1037 Y1110 I1111 R1112 D1116 E1118 L1119 | M1037-I1114 HydrophobicContact CE-CB 4.33Å; M1037-I1114 HydrophobicContact CE-CD1 3.9Å; M1037-I1114 HydrophobicContact CE-CG2 3.82Å; Y1110-I1114 HydrophobicContact CD1-CD1 4.05Å; Y1110-I1114 HydrophobicContact CE1-CD1 3.51Å; Y1110-I1114 HydrophobicContact CE1-CG1 4.5Å; Y1110-I1114 HydrophobicContact CE2-CD1 4.31Å; Y1110-I1114 WeakPolarHBondContact O-CG1 3.3Å; Y1110-I1114 PolarHBondContact O-N 2.92Å; Y1110-I1114 VanDerWaalsContact O-N 3.09Å; I1111-I1114 PolarHBondContact O-N 3.33Å; R1112-I1114 VanDerWaalsContact C-N 3.33Å; R1112-I1114 PolarHBondContact O-N 3.5Å; I1114-D1116 VanDerWaalsContact C-N 3.27Å; I1114-D1116 PolarHBondContact O-N 3.15Å; I1114-E1118 HydrophobicContact CG2-CB 4Å; I1114-E1118 WeakPolarHBondContact O-CA 3.24Å; I1114-E1118 WeakPolarHBondContact O-CB 3.49Å; I1114-E1118 PolarHBondContact O-N 3.27Å; I1114-L1119 PolarHBondContact O-N 3.26Å |
| 1115 | C | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.8 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | L1034 I1111 R1112 L1119 V1163 | L1034-C1115 HydrophobicContact CD1-CB 4.46Å; I1111-C1115 PolarHBondContact O-N 2.81Å; I1111-C1115 PolarHBondContact O-SG 2.96Å; R1112-C1115 PolarHBondContact O-N 2.64Å; R1112-C1115 VanDerWaalsContact O-N 3.15Å; C1115-L1119 HydrophobicContact CB-CD1 4.42Å; C1115-V1163 HydrophobicContact CB-CG1 4.35Å; C1115-V1163 WeakPolarHBondContact O-CG1 3.4Å |
| 1116 | D | 86.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.6 | -41.5 | -177.7 | -69.5 | -24.7 | 0 | 0 | 0 | 112.5 | R1112 H1113 I1114 N1164 | R1112-D1116 WeakPolarHBondContact O-CB 3.44Å; R1112-D1116 VanDerWaalsContact O-CG 3.32Å; R1112-D1116 PolarHBondContact O-N 3.29Å; H1113-D1116 PolarHBondContact O-N 3.27Å; I1114-D1116 VanDerWaalsContact C-N 3.27Å; I1114-D1116 PolarHBondContact O-N 3.15Å; D1116-N1164 VanDerWaalsContact CA-ND2 3.27Å; D1116-N1164 WeakPolarHBondContact CA-ND2 3.39Å; D1116-N1164 PolarHBondContact O-ND2 3.12Å; D1116-N1164 WeakPolarHBondContact OD1-CB 3.41Å; D1116-N1164 PolarHBondContact OD1-OD1 2.89Å |
| 1117 | H | 85.6 | Confident | 86.9 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -107.6 | -28.4 | -170.3 | -64.2 | -71.5 | 0 | 0 | 0 | 115.2 | H1113 | H1113-H1117 AromaticContact CD2-CD2 3.6Å; H1113-H1117 AromaticContact CE1-CD2 3.99Å; H1113-H1117 AromaticContact NE2-CD2 3.6Å; H1113-H1117 WeakPolarHBondContact O-CB 3.36Å; H1113-H1117 PolarHBondContact O-CD2 3.26Å; H1113-H1117 PolarHBondContact O-N 3.36Å |
| 1118 | E | 87.7 | Confident | 87.1 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -3 | -165.4 | -63 | -179 | -138.5 | 0 | 0 | 114.9 | I1114 L1125 | I1114-E1118 HydrophobicContact CG2-CB 4Å; I1114-E1118 WeakPolarHBondContact O-CA 3.24Å; I1114-E1118 WeakPolarHBondContact O-CB 3.49Å; I1114-E1118 PolarHBondContact O-N 3.27Å; E1118-L1125 VanDerWaalsContact C-CD1 3.41Å; E1118-L1125 WeakPolarHBondContact O-CD1 3.4Å; E1118-L1125 WeakPolarHBondContact O-CD2 3.45Å |
| 1119 | L | 88.7 | Confident | 87.4 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -44.7 | 177.8 | -68.6 | -174.7 | 0 | 0 | 0 | 114.1 | Q1033 I1114 C1115 V1163 | Q1033-L1119 HydrophobicContact CG-CD1 4.41Å; Q1033-L1119 HydrophobicContact CG-CD2 4.09Å; I1114-L1119 PolarHBondContact O-N 3.26Å; C1115-L1119 HydrophobicContact CB-CD1 4.42Å; L1119-V1163 HydrophobicContact CB-CG1 3.98Å; L1119-V1163 HydrophobicContact CD1-CG1 3.77Å; L1119-V1163 HydrophobicContact CG-CG1 4.49Å |
| 1120 | L | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -12.4 | -170.2 | -67.9 | 179.5 | 0 | 0 | 0 | 115.3 | L1127 N1128 L1131 M1160 V1163 V1167 | L1120-L1127 HydrophobicContact CD2-CB 3.5Å; L1120-L1127 VanDerWaalsContact CD2-CB 3.5Å; L1120-L1127 HydrophobicContact CD2-CD1 4.17Å; L1120-L1127 HydrophobicContact CD2-CG 4.47Å; L1120-N1128 VanDerWaalsContact O-CB 3.3Å; L1120-N1128 WeakPolarHBondContact O-CB 3.44Å; L1120-N1128 PolarHBondContact O-OD1 2.89Å; L1120-L1131 HydrophobicContact CB-CD2 4.46Å; L1120-M1160 HydrophobicContact CD1-CB 4.43Å; L1120-M1160 WeakPolarHBondContact CD1-O 3.32Å; L1120-M1160 HydrophobicContact CD2-CE 3.67Å; L1120-V1163 HydrophobicContact CD1-CB 3.75Å; L1120-V1163 HydrophobicContact CD1-CG1 4.06Å; L1120-V1163 HydrophobicContact CD1-CG2 4.02Å; L1120-V1163 HydrophobicContact CG-CG1 4.34Å; L1120-V1167 HydrophobicContact CB-CG2 4.11Å; L1120-V1167 HydrophobicContact CD1-CG1 4.23Å; L1120-V1167 HydrophobicContact CD1-CG2 4.23Å |
| 1121 | K | 83.2 | Confident | 87.9 | Confident | 95 Ų | 95 | 53 Ų | 53 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -50.6 | -168.1 | -168.4 | 170 | -179.1 | 162.3 | 0 | 113.1 | E1166 | K1121-E1166 IonicContact NZ-OE1 3.96Å; K1121-E1166 IonicContact NZ-OE2 3.63Å; K1121-E1166 PolarHBondContact NZ-OE2 3.06Å |
| 1122 | S | 80 | Confident | 88 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -69.4 | 135 | -176 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | D1124 L1125 N1128 | S1122-D1124 PolarHBondContact O-N 3.29Å; S1122-L1125 WeakPolarHBondContact O-CB 3.31Å; S1122-L1125 PolarHBondContact O-N 3.35Å; S1122-L1125 VanDerWaalsContact O-N 3.15Å; S1122-N1128 WeakPolarHBondContact O-CB 3.5Å |
| 1123 | P | 78.4 | Confident | 88.3 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.3 | -177.2 | 26.1 | -34.2 | 0 | 0 | 0 | 113.9 | L1125 N1128 | P1123-L1125 PolarHBondContact O-N 3.01Å; P1123-N1128 WeakPolarHBondContact CA-ND2 3.28Å |
| 1124 | D | 80.6 | Confident | 88.7 | Confident | 155 Ų | 155 | 50.1 Ų | 50.1 | 83% | 0.829 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.9 | -179.5 | -48 | -43.1 | 0 | 0 | 0 | 112.8 | S1122 | S1122-D1124 PolarHBondContact O-N 3.29Š|
| 1125 | L | 84.2 | Confident | 89 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -81.3 | 136.2 | 179.8 | -59.9 | 167.3 | 0 | 0 | 0 | 110.8 | E1118 S1122 P1123 L1127 N1128 P1129 | E1118-L1125 VanDerWaalsContact C-CD1 3.41Å; E1118-L1125 WeakPolarHBondContact O-CD1 3.4Å; E1118-L1125 WeakPolarHBondContact O-CD2 3.45Å; S1122-L1125 WeakPolarHBondContact O-CB 3.31Å; S1122-L1125 PolarHBondContact O-N 3.35Å; S1122-L1125 VanDerWaalsContact O-N 3.15Å; P1123-L1125 PolarHBondContact O-N 3.01Å; L1125-L1127 PolarHBondContact O-N 3.15Å; L1125-L1127 VanDerWaalsContact O-N 3.09Å; L1125-N1128 PolarHBondContact O-N 3.26Å; L1125-N1128 VanDerWaalsContact O-N 3.16Å; L1125-P1129 WeakPolarHBondContact O-CD 3.3Å |
| 1126 | I | 85.6 | Confident | 89.3 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.8 | -176.5 | -162.9 | 167.3 | 0 | 0 | 0 | 113.4 | L942 L1130 | L942-I1126 HydrophobicContact CB-CD1 4.28Å; I1126-L1130 VanDerWaalsContact O-CD1 3.32Å; I1126-L1130 WeakPolarHBondContact O-CD1 3.34Å; I1126-L1130 VanDerWaalsContact O-CG 3.3Å; I1126-L1130 WeakPolarHBondContact O-CG 3.4Å |
| 1127 | L | 91.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -81.8 | -23.2 | -176.4 | -62.6 | 178.9 | 0 | 0 | 0 | 113.4 | L942 T1030 L1120 L1125 L1130 L1131 | L942-L1127 HydrophobicContact CD1-CD2 3.98Å; T1030-L1127 HydrophobicContact CG2-CD1 4.42Å; L1120-L1127 HydrophobicContact CD2-CB 3.5Å; L1120-L1127 VanDerWaalsContact CD2-CB 3.5Å; L1120-L1127 HydrophobicContact CD2-CD1 4.17Å; L1120-L1127 HydrophobicContact CD2-CG 4.47Å; L1125-L1127 PolarHBondContact O-N 3.15Å; L1125-L1127 VanDerWaalsContact O-N 3.09Å; L1127-L1130 HydrophobicContact CD2-CD1 4.23Å; L1127-L1130 CarbonylContact O-C 3.57Å; L1127-L1130 WeakPolarHBondContact O-CB 3.39Å; L1127-L1130 PolarHBondContact O-N 2.9Å; L1127-L1131 PolarHBondContact O-N 3.4Å |
| 1128 | N | 91.9 | Very high | 90.3 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -48.1 | -178.8 | 177.3 | 62.4 | 0 | 0 | 0 | 112.8 | L1120 S1122 P1123 L1125 L1130 L1131 N1132 | L1120-N1128 VanDerWaalsContact O-CB 3.3Å; L1120-N1128 WeakPolarHBondContact O-CB 3.44Å; L1120-N1128 PolarHBondContact O-OD1 2.89Å; S1122-N1128 WeakPolarHBondContact O-CB 3.5Å; P1123-N1128 WeakPolarHBondContact CA-ND2 3.28Å; L1125-N1128 PolarHBondContact O-N 3.26Å; L1125-N1128 VanDerWaalsContact O-N 3.16Å; N1128-L1130 PolarHBondContact O-N 3Å; N1128-L1131 WeakPolarHBondContact O-CB 3.36Å; N1128-L1131 PolarHBondContact O-N 2.62Å; N1128-N1132 PolarHBondContact O-N 3.32Å; N1128-N1132 VanDerWaalsContact O-N 3.14Å; N1128-N1132 PolarHBondContact O-ND2 3.15Å |
| 1129 | P | 92.2 | Very high | 90.6 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -34.7 | 171.6 | -23.8 | 33.8 | 0 | 0 | 0 | 112.8 | L1125 N1132 F1133 | L1125-P1129 WeakPolarHBondContact O-CD 3.3Å; P1129-N1132 PolarHBondContact O-N 3.24Å; P1129-F1133 WeakPolarHBondContact O-CB 3.39Å; P1129-F1133 PolarHBondContact O-N 3.35Å |
| 1130 | L | 94.8 | Very high | 90.9 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 178.1 | -62.1 | 173.4 | 0 | 0 | 0 | 111.8 | L942 F1022 I1026 I1126 L1127 N1128 N1132 F1133 V1134 | L942-L1130 HydrophobicContact CD1-CD1 4.19Å; L942-L1130 HydrophobicContact CD2-CD1 4.34Å; F1022-L1130 HydrophobicContact CE1-CD2 4.19Å; F1022-L1130 HydrophobicContact CZ-CD2 3.95Å; I1026-L1130 HydrophobicContact CD1-CB 4.28Å; I1026-L1130 HydrophobicContact CD1-CD1 4.48Å; I1026-L1130 HydrophobicContact CD1-CD2 3.89Å; I1026-L1130 HydrophobicContact CD1-CG 4.44Å; I1026-L1130 HydrophobicContact CG1-CD1 4.19Å; I1026-L1130 HydrophobicContact CG1-CD2 4.46Å; I1026-L1130 HydrophobicContact CG2-CB 4.08Å; I1126-L1130 VanDerWaalsContact O-CD1 3.32Å; I1126-L1130 WeakPolarHBondContact O-CD1 3.34Å; I1126-L1130 VanDerWaalsContact O-CG 3.3Å; I1126-L1130 WeakPolarHBondContact O-CG 3.4Å; L1127-L1130 HydrophobicContact CD2-CD1 4.23Å; L1127-L1130 CarbonylContact O-C 3.57Å; L1127-L1130 WeakPolarHBondContact O-CB 3.39Å; L1127-L1130 PolarHBondContact O-N 2.9Å; N1128-L1130 PolarHBondContact O-N 3Å; L1130-N1132 VanDerWaalsContact C-N 3.34Å; L1130-F1133 WeakPolarHBondContact O-CB 3.48Å; L1130-F1133 PolarHBondContact O-N 3.12Å; L1130-V1134 WeakPolarHBondContact O-CB 3.46Å; L1130-V1134 VanDerWaalsContact O-CG2 3.27Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.29Å; L1130-V1134 PolarHBondContact O-N 3.38Å |
| 1131 | L | 95.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 172.7 | 175 | 62.4 | 0 | 0 | 0 | 110.8 | L1120 L1127 N1128 F1133 V1134 T1135 L1157 M1160 V1167 | L1120-L1131 HydrophobicContact CB-CD2 4.46Å; L1127-L1131 PolarHBondContact O-N 3.4Å; N1128-L1131 WeakPolarHBondContact O-CB 3.36Å; N1128-L1131 PolarHBondContact O-N 2.62Å; L1131-F1133 VanDerWaalsContact C-N 3.31Å; L1131-F1133 PolarHBondContact O-N 2.89Å; L1131-V1134 PolarHBondContact O-N 3.07Å; L1131-T1135 VanDerWaalsContact O-CB 3.31Å; L1131-T1135 WeakPolarHBondContact O-CB 3.26Å; L1131-T1135 PolarHBondContact O-N 2.86Å; L1131-T1135 PolarHBondContact O-OG1 3.08Å; L1131-L1157 HydrophobicContact CD1-CD1 4.39Å; L1131-M1160 HydrophobicContact CB-CE 3.57Å; L1131-M1160 HydrophobicContact CB-SD 4.4Å; L1131-M1160 HydrophobicContact CD1-CB 4.11Å; L1131-M1160 HydrophobicContact CD1-CE 4.06Å; L1131-M1160 HydrophobicContact CD1-SD 4.07Å; L1131-M1160 HydrophobicContact CG-CE 4.4Å; L1131-V1167 HydrophobicContact CD1-CG1 3.98Å; L1131-V1167 HydrophobicContact CD2-CG1 3.63Å; L1131-V1167 HydrophobicContact CD2-CG2 4.18Å; L1131-V1167 HydrophobicContact CG-CG1 4.45Å |
| 1132 | N | 94.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177 | -68.7 | -32.9 | 0 | 0 | 0 | 111.2 | N1128 P1129 L1130 T1135 Y1136 | N1128-N1132 PolarHBondContact O-N 3.32Å; N1128-N1132 VanDerWaalsContact O-N 3.14Å; N1128-N1132 PolarHBondContact O-ND2 3.15Å; P1129-N1132 PolarHBondContact O-N 3.24Å; L1130-N1132 VanDerWaalsContact C-N 3.34Å; N1132-T1135 PolarHBondContact O-N 3.19Å; N1132-Y1136 VanDerWaalsContact O-CB 3.3Å; N1132-Y1136 WeakPolarHBondContact O-CB 3.41Å; N1132-Y1136 PolarHBondContact O-N 3.47Å |
| 1133 | F | 94.4 | Very high | 91.6 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 174.9 | 179.3 | -116 | 0 | 0 | 0 | 112.6 | L1019 F1022 L1023 P1129 L1130 L1131 T1135 Y1136 V1137 | L1019-F1133 HydrophobicContact CD1-CE1 3.9Å; L1019-F1133 HydrophobicContact CD1-CZ 3.69Å; F1022-F1133 HydrophobicContact CD1-CE1 4.44Å; F1022-F1133 HydrophobicContact CE1-CE1 4.47Å; L1023-F1133 HydrophobicContact CD2-CD1 4.28Å; L1023-F1133 HydrophobicContact CD2-CE1 4.01Å; P1129-F1133 WeakPolarHBondContact O-CB 3.39Å; P1129-F1133 PolarHBondContact O-N 3.35Å; L1130-F1133 WeakPolarHBondContact O-CB 3.48Å; L1130-F1133 PolarHBondContact O-N 3.12Å; L1131-F1133 VanDerWaalsContact C-N 3.31Å; L1131-F1133 PolarHBondContact O-N 2.89Å; F1133-T1135 VanDerWaalsContact C-N 3.33Å; F1133-T1135 PolarHBondContact O-N 3.33Å; F1133-Y1136 WeakPolarHBondContact O-CB 3.37Å; F1133-Y1136 PolarHBondContact O-N 3Å; F1133-V1137 HydrophobicContact CE1-CG2 4.45Å; F1133-V1137 HydrophobicContact CE2-CG2 4.18Å; F1133-V1137 HydrophobicContact CZ-CG2 4.14Å; F1133-V1137 WeakPolarHBondContact O-CG2 3.32Å; F1133-V1137 PolarHBondContact O-N 3.35Å |
| 1134 | V | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L1023 I1026 L1130 L1131 Y1136 V1137 C1138 A1153 A1156 L1157 M1160 | L1023-V1134 HydrophobicContact CD2-CG2 3.77Å; I1026-V1134 HydrophobicContact CD1-CG2 4.38Å; I1026-V1134 HydrophobicContact CG2-CG2 4.2Å; L1130-V1134 WeakPolarHBondContact O-CB 3.46Å; L1130-V1134 VanDerWaalsContact O-CG2 3.27Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.29Å; L1130-V1134 PolarHBondContact O-N 3.38Å; L1131-V1134 PolarHBondContact O-N 3.07Å; V1134-Y1136 VanDerWaalsContact C-N 3.34Å; V1134-Y1136 PolarHBondContact O-N 3.06Å; V1134-V1137 PolarHBondContact O-N 3.31Å; V1134-C1138 PolarHBondContact O-N 3.16Å; V1134-C1138 PolarHBondContact O-SG 2.86Å; V1134-A1153 WeakPolarHBondContact CG1-O 3.48Å; V1134-A1156 HydrophobicContact CG1-CB 4.05Å; V1134-A1156 HydrophobicContact CG2-CB 4.33Å; V1134-L1157 HydrophobicContact CG1-CB 3.77Å; V1134-L1157 HydrophobicContact CG1-CD1 4.41Å; V1134-M1160 HydrophobicContact CB-SD 4.33Å; V1134-M1160 HydrophobicContact CG2-SD 4.12Å |
| 1135 | T | 96.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | L1131 N1132 F1133 C1138 S1139 R1171 L1174 | L1131-T1135 VanDerWaalsContact O-CB 3.31Å; L1131-T1135 WeakPolarHBondContact O-CB 3.26Å; L1131-T1135 PolarHBondContact O-N 2.86Å; L1131-T1135 PolarHBondContact O-OG1 3.08Å; N1132-T1135 PolarHBondContact O-N 3.19Å; F1133-T1135 VanDerWaalsContact C-N 3.33Å; F1133-T1135 PolarHBondContact O-N 3.33Å; T1135-C1138 PolarHBondContact O-N 3.24Å; T1135-S1139 WeakPolarHBondContact O-CB 3.33Å; T1135-S1139 PolarHBondContact O-N 3.02Å; T1135-S1139 PolarHBondContact O-OG 3.43Å; T1135-R1171 PolarHBondContact OG1-NE 3.44Å; T1135-L1174 HydrophobicContact CG2-CD2 4.38Å |
| 1136 | Y | 96.2 | Very high | 93 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.1 | -179.2 | -97.8 | 0 | 0 | 0 | 111.6 | N1132 F1133 V1134 S1139 H1140 R1143 F1144 | N1132-Y1136 VanDerWaalsContact O-CB 3.3Å; N1132-Y1136 WeakPolarHBondContact O-CB 3.41Å; N1132-Y1136 PolarHBondContact O-N 3.47Å; F1133-Y1136 WeakPolarHBondContact O-CB 3.37Å; F1133-Y1136 PolarHBondContact O-N 3Å; V1134-Y1136 VanDerWaalsContact C-N 3.34Å; V1134-Y1136 PolarHBondContact O-N 3.06Å; Y1136-S1139 WeakPolarHBondContact CA-OG 3.44Å; Y1136-S1139 PolarHBondContact O-N 3.05Å; Y1136-S1139 PolarHBondContact O-OG 3.37Å; Y1136-H1140 AromaticContact CD2-CE1 3.46Å; Y1136-H1140 VanDerWaalsContact CD2-CE1 3.46Å; Y1136-H1140 WeakPolarHBondContact CD2-CE1 3.41Å; Y1136-H1140 AromaticContact CD2-ND1 3.58Å; Y1136-H1140 AromaticContact CE2-CE1 3.24Å; Y1136-H1140 WeakPolarHBondContact CE2-CE1 3.24Å; Y1136-H1140 AromaticContact CE2-ND1 3.52Å; Y1136-H1140 AromaticContact CE2-NE2 3.72Å; Y1136-H1140 AromaticContact CZ-ND1 3.94Å; Y1136-H1140 PolarHBondContact O-N 3.49Å; Y1136-H1140 PolarHBondContact O-ND1 3.4Å; Y1136-R1143 PolarHBondContact OH-NH1 2.98Å; Y1136-F1144 HydrophobicContact CD1-CE2 4.07Å; Y1136-F1144 HydrophobicContact CD1-CZ 4.27Å; Y1136-F1144 AromaticContact CE1-CE2 3.92Å; Y1136-F1144 HydrophobicContact CE1-CE2 3.92Å; Y1136-F1144 HydrophobicContact CE1-CZ 4.11Å |
| 1137 | V | 95.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | L1023 F1133 V1134 S1139 H1140 F1144 V1149 A1153 | L1023-V1137 HydrophobicContact CD1-CG1 4.38Å; F1133-V1137 HydrophobicContact CE1-CG2 4.45Å; F1133-V1137 HydrophobicContact CE2-CG2 4.18Å; F1133-V1137 HydrophobicContact CZ-CG2 4.14Å; F1133-V1137 WeakPolarHBondContact O-CG2 3.32Å; F1133-V1137 PolarHBondContact O-N 3.35Å; V1134-V1137 PolarHBondContact O-N 3.31Å; V1137-S1139 VanDerWaalsContact C-N 3.34Å; V1137-S1139 PolarHBondContact O-N 3.46Å; V1137-H1140 PolarHBondContact O-N 3.06Å; V1137-F1144 HydrophobicContact CB-CD2 4.21Å; V1137-F1144 HydrophobicContact CB-CE2 4.2Å; V1137-F1144 HydrophobicContact CG1-CB 4.19Å; V1137-F1144 HydrophobicContact CG1-CD1 4.18Å; V1137-F1144 HydrophobicContact CG1-CD2 3.91Å; V1137-F1144 HydrophobicContact CG1-CE2 4.34Å; V1137-F1144 HydrophobicContact CG1-CG 3.83Å; V1137-F1144 HydrophobicContact CG2-CD2 4.38Å; V1137-F1144 HydrophobicContact CG2-CE1 4.11Å; V1137-F1144 HydrophobicContact CG2-CE2 3.99Å; V1137-F1144 HydrophobicContact CG2-CZ 3.83Å; V1137-V1149 HydrophobicContact CG1-CG1 4.05Å; V1137-A1153 HydrophobicContact CB-CB 4.2Å; V1137-A1153 HydrophobicContact CG1-CB 3.58Å |
| 1138 | C | 96.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -32 | -179.5 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | V1134 T1135 A1153 L1157 L1174 M1178 | V1134-C1138 PolarHBondContact O-N 3.16Å; V1134-C1138 PolarHBondContact O-SG 2.86Å; T1135-C1138 PolarHBondContact O-N 3.24Å; C1138-A1153 VanDerWaalsContact SG-C 3.51Å; C1138-A1153 PolarHBondContact SG-O 3.44Å; C1138-L1157 HydrophobicContact CB-CD2 3.97Å; C1138-L1174 HydrophobicContact CB-CD2 4.03Å; C1138-M1178 HydrophobicContact CB-CE 4.09Å; C1138-M1178 HydrophobicContact CB-SD 3.83Å |
| 1139 | S | 95.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -81.5 | -11.8 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | T1135 Y1136 V1137 P1141 | T1135-S1139 WeakPolarHBondContact O-CB 3.33Å; T1135-S1139 PolarHBondContact O-N 3.02Å; T1135-S1139 PolarHBondContact O-OG 3.43Å; Y1136-S1139 WeakPolarHBondContact CA-OG 3.44Å; Y1136-S1139 PolarHBondContact O-N 3.05Å; Y1136-S1139 PolarHBondContact O-OG 3.37Å; V1137-S1139 VanDerWaalsContact C-N 3.34Å; V1137-S1139 PolarHBondContact O-N 3.46Å; S1139-P1141 WeakPolarHBondContact O-CD 3.19Å |
| 1140 | H | 94.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 55 Ų | 55 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | trans | -122.2 | 60 | -178.2 | -61.4 | 80.7 | 0 | 0 | 0 | 112.6 | Y1136 V1137 S1142 R1143 F1144 | Y1136-H1140 AromaticContact CD2-CE1 3.46Å; Y1136-H1140 VanDerWaalsContact CD2-CE1 3.46Å; Y1136-H1140 WeakPolarHBondContact CD2-CE1 3.41Å; Y1136-H1140 AromaticContact CD2-ND1 3.58Å; Y1136-H1140 AromaticContact CE2-CE1 3.24Å; Y1136-H1140 WeakPolarHBondContact CE2-CE1 3.24Å; Y1136-H1140 AromaticContact CE2-ND1 3.52Å; Y1136-H1140 AromaticContact CE2-NE2 3.72Å; Y1136-H1140 AromaticContact CZ-ND1 3.94Å; Y1136-H1140 PolarHBondContact O-N 3.49Å; Y1136-H1140 PolarHBondContact O-ND1 3.4Å; V1137-H1140 PolarHBondContact O-N 3.06Å; H1140-S1142 PolarHBondContact O-N 3.18Å; H1140-S1142 VanDerWaalsContact O-N 3.15Å; H1140-R1143 HydrophobicContact CB-CB 4.18Å; H1140-R1143 PolarHBondContact O-N 3.1Å; H1140-F1144 HydrophobicContact CB-CD2 4.27Å; H1140-F1144 HydrophobicContact CB-CE2 4.33Å; H1140-F1144 WeakPolarHBondContact O-CD2 3.45Å; H1140-F1144 PolarHBondContact O-N 2.59Å | ||
| 1141 | P | 90.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.4 | -176.1 | 26.4 | -35.6 | 0 | 0 | 0 | 113.6 | S1139 R1143 F1144 Q1150 | S1139-P1141 WeakPolarHBondContact O-CD 3.19Å; P1141-R1143 VanDerWaalsContact C-N 3.33Å; P1141-F1144 CarbonylContact O-C 3.36Å; P1141-Q1150 PolarHBondContact O-NE2 3.33Å |
| 1142 | S | 89 | Confident | 93.9 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.4 | 175.3 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | H1140 T1145 | H1140-S1142 PolarHBondContact O-N 3.18Å; H1140-S1142 VanDerWaalsContact O-N 3.15Å; S1142-T1145 WeakPolarHBondContact O-CG2 3.33Å |
| 1143 | R | 89.7 | Confident | 94 | Very high | 160 Ų | 160 | 51.4 Ų | 51.4 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -34.5 | 175.1 | -175.4 | 176.1 | 179.4 | 166.4 | 4.2 | 111.5 | Y1136 H1140 P1141 | Y1136-R1143 PolarHBondContact OH-NH1 2.98Å; H1140-R1143 HydrophobicContact CB-CB 4.18Å; H1140-R1143 PolarHBondContact O-N 3.1Å; P1141-R1143 VanDerWaalsContact C-N 3.33Å |
| 1144 | F | 91.3 | Very high | 94.2 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | trans | -108.7 | 73.7 | 180 | -59 | -80 | 0 | 0 | 0 | 109.6 | L1019 Y1136 V1137 H1140 P1141 D1146 V1149 Q1150 | L1019-F1144 HydrophobicContact CD2-CD1 4.12Å; L1019-F1144 HydrophobicContact CD2-CE1 4.06Å; Y1136-F1144 HydrophobicContact CD1-CE2 4.07Å; Y1136-F1144 HydrophobicContact CD1-CZ 4.27Å; Y1136-F1144 AromaticContact CE1-CE2 3.92Å; Y1136-F1144 HydrophobicContact CE1-CE2 3.92Å; Y1136-F1144 HydrophobicContact CE1-CZ 4.11Å; V1137-F1144 HydrophobicContact CB-CD2 4.21Å; V1137-F1144 HydrophobicContact CB-CE2 4.2Å; V1137-F1144 HydrophobicContact CG1-CB 4.19Å; V1137-F1144 HydrophobicContact CG1-CD1 4.18Å; V1137-F1144 HydrophobicContact CG1-CD2 3.91Å; V1137-F1144 HydrophobicContact CG1-CE2 4.34Å; V1137-F1144 HydrophobicContact CG1-CG 3.83Å; V1137-F1144 HydrophobicContact CG2-CD2 4.38Å; V1137-F1144 HydrophobicContact CG2-CE1 4.11Å; V1137-F1144 HydrophobicContact CG2-CE2 3.99Å; V1137-F1144 HydrophobicContact CG2-CZ 3.83Å; H1140-F1144 HydrophobicContact CB-CD2 4.27Å; H1140-F1144 HydrophobicContact CB-CE2 4.33Å; H1140-F1144 WeakPolarHBondContact O-CD2 3.45Å; H1140-F1144 PolarHBondContact O-N 2.59Å; P1141-F1144 CarbonylContact O-C 3.36Å; F1144-D1146 VanDerWaalsContact C-N 3.31Å; F1144-D1146 PolarHBondContact O-N 3.36Å; F1144-V1149 HydrophobicContact CB-CG1 4.31Å; F1144-V1149 HydrophobicContact CD1-CG1 4.35Å; F1144-Q1150 VanDerWaalsContact O-CG 3.29Å; F1144-Q1150 WeakPolarHBondContact O-CG 3.44Å; F1144-Q1150 PolarHBondContact O-NE2 3.38Å | ||
| 1145 | T | 88.5 | Confident | 94.2 | Very high | 111 Ų | 111 | 50.5 Ų | 50.5 | 68% | 0.681 | 27% | 0.272 | S | S | * | . | trans | -77.2 | -14.3 | -172.9 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | S1142 E1147 | S1142-T1145 WeakPolarHBondContact O-CG2 3.33Å; T1145-E1147 PolarHBondContact O-N 3.29Å | ||
| 1146 | D | 93.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | trans | -69.7 | 125.6 | -179.9 | -176.9 | -85.6 | 0 | 0 | 0 | 111.6 | A1016 F1144 T1148 V1149 Q1150 | A1016-D1146 HydrophobicContact CB-CB 3.95Å; F1144-D1146 VanDerWaalsContact C-N 3.31Å; F1144-D1146 PolarHBondContact O-N 3.36Å; D1146-T1148 VanDerWaalsContact C-N 3.34Å; D1146-T1148 PolarHBondContact O-N 3.43Å; D1146-T1148 WeakPolarHBondContact OD1-CA 3.48Å; D1146-T1148 WeakPolarHBondContact OD1-CB 3.39Å; D1146-T1148 PolarHBondContact OD1-N 3.19Å; D1146-T1148 PolarHBondContact OD1-OG1 3.3Å; D1146-V1149 HydrophobicContact CB-CB 4.13Å; D1146-V1149 HydrophobicContact CB-CG2 3.96Å; D1146-V1149 PolarHBondContact O-N 3.27Å; D1146-V1149 PolarHBondContact OD1-N 3.44Å; D1146-Q1150 WeakPolarHBondContact O-CG 3.38Å; D1146-Q1150 PolarHBondContact O-N 3.39Å | ||
| 1147 | E | 93.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | -175.9 | -178.1 | 171.6 | -162.5 | 0 | 0 | 112.7 | T1145 V1149 Q1150 A1151 S1184 | T1145-E1147 PolarHBondContact O-N 3.29Å; E1147-V1149 VanDerWaalsContact C-N 3.35Å; E1147-Q1150 PolarHBondContact O-N 3.06Å; E1147-A1151 WeakPolarHBondContact O-CB 3.42Å; E1147-A1151 PolarHBondContact O-N 2.79Å; E1147-S1184 WeakPolarHBondContact CG-OG 3.5Å; E1147-S1184 WeakPolarHBondContact OE1-CB 3.4Å; E1147-S1184 PolarHBondContact OE1-OG 3.15Å |
| 1148 | T | 92.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 179.9 | 74.7 | 0 | 0 | 0 | 0 | 111.4 | S1020 D1146 S1152 | S1020-T1148 PolarHBondContact OG-O 3.26Å; D1146-T1148 VanDerWaalsContact C-N 3.34Å; D1146-T1148 PolarHBondContact O-N 3.43Å; D1146-T1148 WeakPolarHBondContact OD1-CA 3.48Å; D1146-T1148 WeakPolarHBondContact OD1-CB 3.39Å; D1146-T1148 PolarHBondContact OD1-N 3.19Å; D1146-T1148 PolarHBondContact OD1-OG1 3.3Å; T1148-S1152 WeakPolarHBondContact O-CB 3.48Å; T1148-S1152 PolarHBondContact O-N 2.94Å; T1148-S1152 PolarHBondContact O-OG 3.02Å |
| 1149 | V | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | A1016 L1019 L1023 V1137 F1144 D1146 E1147 S1152 A1153 | A1016-V1149 HydrophobicContact CB-CG2 3.97Å; A1016-V1149 VanDerWaalsContact O-CG2 3.29Å; A1016-V1149 WeakPolarHBondContact O-CG2 3.33Å; L1019-V1149 HydrophobicContact CB-CG2 4.42Å; L1019-V1149 HydrophobicContact CD2-CG1 3.9Å; L1019-V1149 HydrophobicContact CD2-CG2 4.36Å; L1019-V1149 HydrophobicContact CG-CG1 4.19Å; L1019-V1149 HydrophobicContact CG-CG2 4.41Å; L1023-V1149 HydrophobicContact CD1-CG1 3.85Å; V1137-V1149 HydrophobicContact CG1-CG1 4.05Å; F1144-V1149 HydrophobicContact CB-CG1 4.31Å; F1144-V1149 HydrophobicContact CD1-CG1 4.35Å; D1146-V1149 HydrophobicContact CB-CB 4.13Å; D1146-V1149 HydrophobicContact CB-CG2 3.96Å; D1146-V1149 PolarHBondContact O-N 3.27Å; D1146-V1149 PolarHBondContact OD1-N 3.44Å; E1147-V1149 VanDerWaalsContact C-N 3.35Å; V1149-S1152 PolarHBondContact O-N 3.25Å; V1149-A1153 WeakPolarHBondContact O-CB 3.32Å; V1149-A1153 PolarHBondContact O-N 3.03Å |
| 1150 | Q | 95.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.3 | -69.1 | -177.8 | 4.2 | 0 | 0 | 112.3 | P1141 F1144 D1146 E1147 S1154 V1187 | P1141-Q1150 PolarHBondContact O-NE2 3.33Å; F1144-Q1150 VanDerWaalsContact O-CG 3.29Å; F1144-Q1150 WeakPolarHBondContact O-CG 3.44Å; F1144-Q1150 PolarHBondContact O-NE2 3.38Å; D1146-Q1150 WeakPolarHBondContact O-CG 3.38Å; D1146-Q1150 PolarHBondContact O-N 3.39Å; E1147-Q1150 PolarHBondContact O-N 3.06Å; Q1150-S1154 WeakPolarHBondContact O-CB 3.4Å; Q1150-S1154 PolarHBondContact O-N 2.93Å; Q1150-S1154 PolarHBondContact O-OG 2.99Å; Q1150-V1187 HydrophobicContact CB-CG2 4.12Å |
| 1151 | A | 95.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1147 S1154 L1155 I1186 V1187 | E1147-A1151 WeakPolarHBondContact O-CB 3.42Å; E1147-A1151 PolarHBondContact O-N 2.79Å; A1151-S1154 PolarHBondContact O-OG 3.22Å; A1151-L1155 WeakPolarHBondContact O-CB 2.99Å; A1151-L1155 PolarHBondContact O-N 2.96Å; A1151-L1155 VanDerWaalsContact O-N 3.1Å; A1151-I1186 HydrophobicContact CB-CG2 4.45Å; A1151-V1187 HydrophobicContact CB-CG2 4.11Å |
| 1152 | S | 96.1 | Very high | 95 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 177.9 | -67 | 0 | 0 | 0 | 0 | 112.6 | S1020 T1148 V1149 A1156 | S1020-S1152 VanDerWaalsContact O-CB 3.28Å; S1020-S1152 WeakPolarHBondContact O-CB 3.48Å; S1020-S1152 PolarHBondContact O-OG 3.41Å; S1020-S1152 WeakPolarHBondContact OG-CB 3.39Å; S1020-S1152 PolarHBondContact OG-OG 3.16Å; T1148-S1152 WeakPolarHBondContact O-CB 3.48Å; T1148-S1152 PolarHBondContact O-N 2.94Å; T1148-S1152 PolarHBondContact O-OG 3.02Å; V1149-S1152 PolarHBondContact O-N 3.25Å; S1152-A1156 WeakPolarHBondContact O-CB 3.49Å; S1152-A1156 PolarHBondContact O-N 3.48Å |
| 1153 | A | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1023 V1134 V1137 C1138 V1149 A1156 L1157 | L1023-A1153 HydrophobicContact CD1-CB 3.97Å; L1023-A1153 HydrophobicContact CD2-CB 4.47Å; V1134-A1153 WeakPolarHBondContact CG1-O 3.48Å; V1137-A1153 HydrophobicContact CB-CB 4.2Å; V1137-A1153 HydrophobicContact CG1-CB 3.58Å; C1138-A1153 VanDerWaalsContact SG-C 3.51Å; C1138-A1153 PolarHBondContact SG-O 3.44Å; V1149-A1153 WeakPolarHBondContact O-CB 3.32Å; V1149-A1153 PolarHBondContact O-N 3.03Å; A1153-A1156 PolarHBondContact O-N 2.7Å; A1153-L1157 WeakPolarHBondContact O-CB 3.24Å; A1153-L1157 PolarHBondContact O-N 3.38Å |
| 1154 | S | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | -179.1 | 62 | 0 | 0 | 0 | 0 | 112.2 | Q1150 A1151 L1157 A1158 M1178 | Q1150-S1154 WeakPolarHBondContact O-CB 3.4Å; Q1150-S1154 PolarHBondContact O-N 2.93Å; Q1150-S1154 PolarHBondContact O-OG 2.99Å; A1151-S1154 PolarHBondContact O-OG 3.22Å; S1154-L1157 PolarHBondContact O-N 3.45Å; S1154-A1158 PolarHBondContact O-N 3.31Å; S1154-M1178 VanDerWaalsContact CB-CE 3.41Å |
| 1155 | L | 97.5 | Very high | 95.2 | Very high | 51 Ų | 51 | 25.8 Ų | 25.8 | 27% | 0.267 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65 | -41.4 | 173.2 | -83.8 | 176.8 | 0 | 0 | 0 | 112.1 | A1151 L1157 A1158 K1159 N1190 | A1151-L1155 WeakPolarHBondContact O-CB 2.99Å; A1151-L1155 PolarHBondContact O-N 2.96Å; A1151-L1155 VanDerWaalsContact O-N 3.1Å; L1155-L1157 VanDerWaalsContact C-N 3.33Å; L1155-A1158 PolarHBondContact O-N 2.92Å; L1155-K1159 WeakPolarHBondContact O-CB 3.23Å; L1155-K1159 VanDerWaalsContact O-CG 3.29Å; L1155-K1159 WeakPolarHBondContact O-CG 3.45Å; L1155-K1159 PolarHBondContact O-N 2.91Å; L1155-N1190 HydrophobicContact CD1-CB 4.27Å; L1155-N1190 HydrophobicContact CD2-CB 3.87Å; L1155-N1190 HydrophobicContact CG-CB 4.05Å |
| 1156 | A | 98.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | L1023 V1134 S1152 A1153 A1158 K1159 M1160 | L1023-A1156 VanDerWaalsContact O-CB 3.29Å; L1023-A1156 WeakPolarHBondContact O-CB 3.38Å; V1134-A1156 HydrophobicContact CG1-CB 4.05Å; V1134-A1156 HydrophobicContact CG2-CB 4.33Å; S1152-A1156 WeakPolarHBondContact O-CB 3.49Å; S1152-A1156 PolarHBondContact O-N 3.48Å; A1153-A1156 PolarHBondContact O-N 2.7Å; A1156-A1158 PolarHBondContact O-N 3.32Å; A1156-K1159 PolarHBondContact O-N 3.36Å; A1156-M1160 WeakPolarHBondContact O-CB 3.45Å; A1156-M1160 WeakPolarHBondContact O-CG 3.49Å; A1156-M1160 PolarHBondContact O-N 2.95Å |
| 1157 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 176.2 | -177.9 | 58.5 | 0 | 0 | 0 | 111 | L1131 V1134 C1138 A1153 S1154 L1155 K1159 M1160 M1161 L1174 L1175 | L1131-L1157 HydrophobicContact CD1-CD1 4.39Å; V1134-L1157 HydrophobicContact CG1-CB 3.77Å; V1134-L1157 HydrophobicContact CG1-CD1 4.41Å; C1138-L1157 HydrophobicContact CB-CD2 3.97Å; A1153-L1157 WeakPolarHBondContact O-CB 3.24Å; A1153-L1157 PolarHBondContact O-N 3.38Å; S1154-L1157 PolarHBondContact O-N 3.45Å; L1155-L1157 VanDerWaalsContact C-N 3.33Å; L1157-K1159 PolarHBondContact O-N 3.03Å; L1157-M1160 PolarHBondContact O-N 3.05Å; L1157-M1161 HydrophobicContact CD1-CG 4.34Å; L1157-M1161 HydrophobicContact CD1-SD 4.28Å; L1157-M1161 HydrophobicContact CG-CG 4.47Å; L1157-M1161 HydrophobicContact CG-SD 3.9Å; L1157-M1161 VanDerWaalsContact O-CG 3.24Å; L1157-M1161 WeakPolarHBondContact O-CG 3.31Å; L1157-M1161 PolarHBondContact O-N 3.43Å; L1157-L1174 HydrophobicContact CD2-CD2 4.01Å; L1157-L1175 HydrophobicContact CD2-CD1 4.4Å |
| 1158 | A | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1154 L1155 A1156 M1160 M1161 L1162 L1175 L1191 A1194 | S1154-A1158 PolarHBondContact O-N 3.31Å; L1155-A1158 PolarHBondContact O-N 2.92Å; A1156-A1158 PolarHBondContact O-N 3.32Å; A1158-M1160 VanDerWaalsContact C-N 3.3Å; A1158-M1160 PolarHBondContact O-N 2.95Å; A1158-M1161 PolarHBondContact O-N 3.44Å; A1158-L1162 PolarHBondContact O-N 3.29Å; A1158-L1175 HydrophobicContact CB-CD1 4.29Å; A1158-L1175 HydrophobicContact CB-CD2 4.39Å; A1158-L1191 HydrophobicContact CB-CD2 4.46Å; A1158-A1194 HydrophobicContact CB-CB 3.55Å |
| 1159 | K | 97.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 15% | 0.152 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 174.3 | -75.1 | -176.5 | -178.5 | -177.6 | 0 | 112.3 | E921 G1027 H1028 L1031 L1155 A1156 L1157 | E921-K1159 IonicContact OE1-NZ 3.89Å; G1027-K1159 VanDerWaalsContact C-CD 3.5Å; G1027-K1159 WeakPolarHBondContact O-CB 3.29Å; G1027-K1159 WeakPolarHBondContact O-CD 3.38Å; H1028-K1159 PolarHBondContact ND1-NZ 3.12Å; L1031-K1159 HydrophobicContact CB-CB 4.12Å; L1031-K1159 HydrophobicContact CB-CD 4.07Å; L1031-K1159 HydrophobicContact CB-CG 4.13Å; L1031-K1159 HydrophobicContact CD2-CD 3.97Å; L1031-K1159 HydrophobicContact CD2-CG 4.06Å; L1155-K1159 WeakPolarHBondContact O-CB 3.23Å; L1155-K1159 VanDerWaalsContact O-CG 3.29Å; L1155-K1159 WeakPolarHBondContact O-CG 3.45Å; L1155-K1159 PolarHBondContact O-N 2.91Å; A1156-K1159 PolarHBondContact O-N 3.36Å; L1157-K1159 PolarHBondContact O-N 3.03Å |
| 1160 | M | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.4 | -36.2 | 176.1 | -65.3 | -179.6 | 87.9 | 0 | 0 | 112.3 | I1026 T1030 L1120 L1131 V1134 A1156 L1157 A1158 L1162 V1163 | I1026-M1160 HydrophobicContact CG2-CE 4.16Å; I1026-M1160 HydrophobicContact CG2-SD 3.84Å; T1030-M1160 HydrophobicContact CG2-CB 4.3Å; T1030-M1160 HydrophobicContact CG2-CG 3.92Å; L1120-M1160 HydrophobicContact CD1-CB 4.43Å; L1120-M1160 WeakPolarHBondContact CD1-O 3.32Å; L1120-M1160 HydrophobicContact CD2-CE 3.67Å; L1131-M1160 HydrophobicContact CB-CE 3.57Å; L1131-M1160 HydrophobicContact CB-SD 4.4Å; L1131-M1160 HydrophobicContact CD1-CB 4.11Å; L1131-M1160 HydrophobicContact CD1-CE 4.06Å; L1131-M1160 HydrophobicContact CD1-SD 4.07Å; L1131-M1160 HydrophobicContact CG-CE 4.4Å; V1134-M1160 HydrophobicContact CB-SD 4.33Å; V1134-M1160 HydrophobicContact CG2-SD 4.12Å; A1156-M1160 WeakPolarHBondContact O-CB 3.45Å; A1156-M1160 WeakPolarHBondContact O-CG 3.49Å; A1156-M1160 PolarHBondContact O-N 2.95Å; L1157-M1160 PolarHBondContact O-N 3.05Å; A1158-M1160 VanDerWaalsContact C-N 3.3Å; A1158-M1160 PolarHBondContact O-N 2.95Å; M1160-L1162 PolarHBondContact O-N 3.1Å; M1160-V1163 WeakPolarHBondContact O-CB 3.22Å; M1160-V1163 WeakPolarHBondContact O-CG2 3.32Å; M1160-V1163 PolarHBondContact O-N 2.79Å |
| 1161 | M | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -27.2 | 176.5 | -72.9 | 169.3 | 63.6 | 0 | 0 | 112.7 | L1157 A1158 V1163 C1168 R1171 L1172 L1175 L1198 F1202 | L1157-M1161 HydrophobicContact CD1-CG 4.34Å; L1157-M1161 HydrophobicContact CD1-SD 4.28Å; L1157-M1161 HydrophobicContact CG-CG 4.47Å; L1157-M1161 HydrophobicContact CG-SD 3.9Å; L1157-M1161 VanDerWaalsContact O-CG 3.24Å; L1157-M1161 WeakPolarHBondContact O-CG 3.31Å; L1157-M1161 PolarHBondContact O-N 3.43Å; A1158-M1161 PolarHBondContact O-N 3.44Å; M1161-V1163 PolarHBondContact O-N 3.08Å; M1161-C1168 HydrophobicContact CB-CB 4.25Å; M1161-C1168 HydrophobicContact CE-CB 4.38Å; M1161-C1168 WeakPolarHBondContact CE-O 3.46Å; M1161-R1171 HydrophobicContact CE-CB 4.05Å; M1161-R1171 HydrophobicContact CG-CB 4.35Å; M1161-R1171 HydrophobicContact SD-CB 3.81Å; M1161-L1172 HydrophobicContact CE-CD2 3.86Å; M1161-L1172 HydrophobicContact CE-CG 4.34Å; M1161-L1175 HydrophobicContact CE-CB 4.39Å; M1161-L1175 HydrophobicContact CE-CD2 3.85Å; M1161-L1175 HydrophobicContact SD-CB 4.5Å; M1161-L1175 HydrophobicContact SD-CD1 4.35Å; M1161-L1175 HydrophobicContact SD-CD2 3.98Å; M1161-L1198 HydrophobicContact CB-CD2 3.91Å; M1161-L1198 HydrophobicContact CE-CD1 4.05Å; M1161-F1202 VanDerWaalsContact O-CE2 3.29Å; M1161-F1202 WeakPolarHBondContact O-CE2 3.41Å |
| 1162 | L | 96 | Very high | 95.5 | Very high | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.2 | 176.8 | -77.1 | 166.5 | 0 | 0 | 0 | 114.1 | L1031 L1034 A1158 M1160 D1197 L1198 R1201 F1202 | L1031-L1162 HydrophobicContact CD1-CD1 3.85Å; L1034-L1162 HydrophobicContact CD2-CB 3.79Å; L1034-L1162 WeakPolarHBondContact CD2-O 3.45Å; A1158-L1162 PolarHBondContact O-N 3.29Å; M1160-L1162 PolarHBondContact O-N 3.1Å; L1162-D1197 HydrophobicContact CD1-CB 4.29Å; L1162-D1197 HydrophobicContact CD2-CB 4.05Å; L1162-L1198 HydrophobicContact CD2-CD2 3.72Å; L1162-L1198 HydrophobicContact CD2-CG 4.16Å; L1162-L1198 HydrophobicContact CG-CD2 3.87Å; L1162-L1198 HydrophobicContact CG-CG 4.46Å; L1162-R1201 HydrophobicContact CD2-CB 3.86Å; L1162-R1201 HydrophobicContact CD2-CG 4.18Å; L1162-R1201 PolarHBondContact O-NE 3.31Å; L1162-F1202 WeakPolarHBondContact O-CZ 3.39Å |
| 1163 | V | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -72 | -47.8 | -173.8 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | T1030 L1034 C1115 L1119 L1120 M1160 M1161 | T1030-V1163 HydrophobicContact CG2-CG2 3.49Å; T1030-V1163 VanDerWaalsContact CG2-CG2 3.49Å; L1034-V1163 HydrophobicContact CB-CG2 4.39Å; L1034-V1163 HydrophobicContact CD2-CG2 4.34Å; C1115-V1163 HydrophobicContact CB-CG1 4.35Å; C1115-V1163 WeakPolarHBondContact O-CG1 3.4Å; L1119-V1163 HydrophobicContact CB-CG1 3.98Å; L1119-V1163 HydrophobicContact CD1-CG1 3.77Å; L1119-V1163 HydrophobicContact CG-CG1 4.49Å; L1120-V1163 HydrophobicContact CD1-CB 3.75Å; L1120-V1163 HydrophobicContact CD1-CG1 4.06Å; L1120-V1163 HydrophobicContact CD1-CG2 4.02Å; L1120-V1163 HydrophobicContact CG-CG1 4.34Å; M1160-V1163 WeakPolarHBondContact O-CB 3.22Å; M1160-V1163 WeakPolarHBondContact O-CG2 3.32Å; M1160-V1163 PolarHBondContact O-N 2.79Å; M1161-V1163 PolarHBondContact O-N 3.08Å |
| 1164 | N | 90 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -144.6 | 136.7 | -174.7 | 177.3 | -9.7 | 0 | 0 | 0 | 111.1 | D1116 E1166 V1167 C1168 | D1116-N1164 VanDerWaalsContact CA-ND2 3.27Å; D1116-N1164 WeakPolarHBondContact CA-ND2 3.39Å; D1116-N1164 PolarHBondContact O-ND2 3.12Å; D1116-N1164 WeakPolarHBondContact OD1-CB 3.41Å; D1116-N1164 PolarHBondContact OD1-OD1 2.89Å; N1164-E1166 PolarHBondContact O-N 3.39Å; N1164-E1166 PolarHBondContact OD1-N 3.18Å; N1164-V1167 HydrophobicContact CB-CG2 4.35Å; N1164-V1167 PolarHBondContact O-N 3.47Å; N1164-C1168 WeakPolarHBondContact O-CB 3.38Å; N1164-C1168 PolarHBondContact O-N 3.39Å | ||
| 1165 | A | 91.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -50.7 | -45.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1167 C1168 E1169 F1202 L1205 | A1165-V1167 VanDerWaalsContact C-N 3.27Å; A1165-V1167 PolarHBondContact O-N 3.35Å; A1165-C1168 WeakPolarHBondContact O-CB 3.49Å; A1165-C1168 PolarHBondContact O-N 3.2Å; A1165-C1168 VanDerWaalsContact O-N 3.08Å; A1165-E1169 PolarHBondContact O-N 2.96Å; A1165-F1202 HydrophobicContact CB-CD1 4Å; A1165-F1202 HydrophobicContact CB-CE1 3.91Å; A1165-L1205 HydrophobicContact CB-CD1 3.81Å |
| 1166 | E | 90.1 | Very high | 95.5 | Very high | 106 Ų | 106 | 31 Ų | 31 | 50% | 0.495 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66 | -27.9 | -179.8 | -65.9 | -174.2 | 175.1 | 0 | 0 | 112.9 | K1121 N1164 P1170 | K1121-E1166 IonicContact NZ-OE1 3.96Å; K1121-E1166 IonicContact NZ-OE2 3.63Å; K1121-E1166 PolarHBondContact NZ-OE2 3.06Å; N1164-E1166 PolarHBondContact O-N 3.39Å; N1164-E1166 PolarHBondContact OD1-N 3.18Å; E1166-P1170 WeakPolarHBondContact O-CD 3.4Å; E1166-P1170 WeakPolarHBondContact O-CG 3.2Å |
| 1167 | V | 91.2 | Very high | 95.4 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.1 | -35 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L1120 L1131 N1164 A1165 R1171 | L1120-V1167 HydrophobicContact CB-CG2 4.11Å; L1120-V1167 HydrophobicContact CD1-CG1 4.23Å; L1120-V1167 HydrophobicContact CD1-CG2 4.23Å; L1131-V1167 HydrophobicContact CD1-CG1 3.98Å; L1131-V1167 HydrophobicContact CD2-CG1 3.63Å; L1131-V1167 HydrophobicContact CD2-CG2 4.18Å; L1131-V1167 HydrophobicContact CG-CG1 4.45Å; N1164-V1167 HydrophobicContact CB-CG2 4.35Å; N1164-V1167 PolarHBondContact O-N 3.47Å; A1165-V1167 VanDerWaalsContact C-N 3.27Å; A1165-V1167 PolarHBondContact O-N 3.35Å; V1167-R1171 WeakPolarHBondContact O-CG 3.25Å |
| 1168 | C | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -57 | -179.1 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | M1161 N1164 A1165 R1171 L1172 F1202 L1205 | M1161-C1168 HydrophobicContact CB-CB 4.25Å; M1161-C1168 HydrophobicContact CE-CB 4.38Å; M1161-C1168 WeakPolarHBondContact CE-O 3.46Å; N1164-C1168 WeakPolarHBondContact O-CB 3.38Å; N1164-C1168 PolarHBondContact O-N 3.39Å; A1165-C1168 WeakPolarHBondContact O-CB 3.49Å; A1165-C1168 PolarHBondContact O-N 3.2Å; A1165-C1168 VanDerWaalsContact O-N 3.08Å; C1168-R1171 CarbonylContact O-C 3.46Å; C1168-R1171 WeakPolarHBondContact O-CA 3.21Å; C1168-R1171 PolarHBondContact O-N 3.17Å; C1168-L1172 PolarHBondContact O-N 3.48Å; C1168-F1202 HydrophobicContact CB-CD2 4.24Å; C1168-F1202 HydrophobicContact CB-CE2 4.2Å; C1168-L1205 HydrophobicContact CB-CD1 4.36Å |
| 1169 | E | 95.8 | Very high | 95.2 | Very high | 123 Ų | 123 | 34.3 Ų | 34.3 | 58% | 0.575 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -48.4 | -54.8 | -172.2 | -178.2 | 175.6 | -170.7 | 0 | 0 | 114.7 | A1165 R1171 L1172 L1205 | A1165-E1169 PolarHBondContact O-N 2.96Å; E1169-R1171 PolarHBondContact O-N 2.89Å; E1169-R1171 VanDerWaalsContact O-N 3.08Å; E1169-L1172 PolarHBondContact O-N 3.33Å; E1169-L1205 HydrophobicContact CB-CD1 4.36Å; E1169-L1205 HydrophobicContact CB-CD2 4.48Å |
| 1170 | P | 95.5 | Very high | 95.1 | Very high | 89 Ų | 89 | 37 Ų | 37 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -67.7 | -12.3 | -178.5 | 27.2 | -35.3 | 0 | 0 | 0 | 113.6 | E1166 | E1166-P1170 WeakPolarHBondContact O-CD 3.4Å; E1166-P1170 WeakPolarHBondContact O-CG 3.2Å |
| 1171 | R | 95.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 18% | 0.177 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -107.6 | -7.1 | -177.8 | -55.2 | -168.1 | -163.2 | -55.4 | 8.9 | 113.1 | T1135 M1161 V1167 C1168 E1169 Q1173 L1174 L1175 | T1135-R1171 PolarHBondContact OG1-NE 3.44Å; M1161-R1171 HydrophobicContact CE-CB 4.05Å; M1161-R1171 HydrophobicContact CG-CB 4.35Å; M1161-R1171 HydrophobicContact SD-CB 3.81Å; V1167-R1171 WeakPolarHBondContact O-CG 3.25Å; C1168-R1171 CarbonylContact O-C 3.46Å; C1168-R1171 WeakPolarHBondContact O-CA 3.21Å; C1168-R1171 PolarHBondContact O-N 3.17Å; E1169-R1171 PolarHBondContact O-N 2.89Å; E1169-R1171 VanDerWaalsContact O-N 3.08Å; R1171-Q1173 PolarHBondContact O-N 2.81Å; R1171-L1174 WeakPolarHBondContact O-CB 3.31Å; R1171-L1174 PolarHBondContact O-N 2.64Å; R1171-L1175 PolarHBondContact O-N 3.17Å |
| 1172 | L | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 177.2 | -75.5 | 176.2 | 0 | 0 | 0 | 112.2 | M1161 C1168 E1169 L1174 L1175 F1176 L1205 I1206 W1209 | M1161-L1172 HydrophobicContact CE-CD2 3.86Å; M1161-L1172 HydrophobicContact CE-CG 4.34Å; C1168-L1172 PolarHBondContact O-N 3.48Å; E1169-L1172 PolarHBondContact O-N 3.33Å; L1172-L1174 VanDerWaalsContact C-N 3.3Å; L1172-L1174 PolarHBondContact O-N 2.63Å; L1172-L1175 PolarHBondContact O-N 2.64Å; L1172-L1175 VanDerWaalsContact O-N 3.14Å; L1172-F1176 HydrophobicContact CD2-CE2 4.43Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.38Å; L1172-F1176 PolarHBondContact O-N 3.47Å; L1172-L1205 HydrophobicContact CD1-CB 4.22Å; L1172-I1206 HydrophobicContact CD1-CD1 4.28Å; L1172-I1206 HydrophobicContact CD2-CD1 3.4Å; L1172-W1209 HydrophobicContact CB-CZ2 4.3Å |
| 1173 | Q | 97 | Very high | 94.7 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.2 | -44.5 | 177.9 | -179.5 | 76 | 61.4 | 0 | 0 | 111.4 | R1171 T1177 W1209 | R1171-Q1173 PolarHBondContact O-N 2.81Å; Q1173-T1177 VanDerWaalsContact O-CB 3.27Å; Q1173-T1177 WeakPolarHBondContact O-CB 3.28Å; Q1173-T1177 PolarHBondContact O-N 2.86Å; Q1173-T1177 PolarHBondContact O-OG1 2.94Å; Q1173-W1209 HydrophobicContact CB-CH2 4.12Å |
| 1174 | L | 97 | Very high | 94.7 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.7 | 176.9 | 60.9 | 0 | 0 | 0 | 110.4 | T1135 C1138 L1157 R1171 L1172 T1177 M1178 | T1135-L1174 HydrophobicContact CG2-CD2 4.38Å; C1138-L1174 HydrophobicContact CB-CD2 4.03Å; L1157-L1174 HydrophobicContact CD2-CD2 4.01Å; R1171-L1174 WeakPolarHBondContact O-CB 3.31Å; R1171-L1174 PolarHBondContact O-N 2.64Å; L1172-L1174 VanDerWaalsContact C-N 3.3Å; L1172-L1174 PolarHBondContact O-N 2.63Å; L1174-T1177 WeakPolarHBondContact O-CB 3.39Å; L1174-T1177 PolarHBondContact O-N 3.44Å; L1174-M1178 HydrophobicContact CD1-CG 4.33Å; L1174-M1178 HydrophobicContact CD1-SD 4.19Å; L1174-M1178 HydrophobicContact CG-SD 4.08Å; L1174-M1178 VanDerWaalsContact O-CG 3.3Å; L1174-M1178 WeakPolarHBondContact O-CG 3.42Å; L1174-M1178 PolarHBondContact O-N 3.5Å |
| 1175 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -178.2 | -158.1 | 70.5 | 0 | 0 | 0 | 112.4 | L1157 A1158 M1161 R1171 L1172 T1177 M1178 A1179 L1191 L1195 L1198 | L1157-L1175 HydrophobicContact CD2-CD1 4.4Å; A1158-L1175 HydrophobicContact CB-CD1 4.29Å; A1158-L1175 HydrophobicContact CB-CD2 4.39Å; M1161-L1175 HydrophobicContact CE-CB 4.39Å; M1161-L1175 HydrophobicContact CE-CD2 3.85Å; M1161-L1175 HydrophobicContact SD-CB 4.5Å; M1161-L1175 HydrophobicContact SD-CD1 4.35Å; M1161-L1175 HydrophobicContact SD-CD2 3.98Å; R1171-L1175 PolarHBondContact O-N 3.17Å; L1172-L1175 PolarHBondContact O-N 2.64Å; L1172-L1175 VanDerWaalsContact O-N 3.14Å; L1175-T1177 VanDerWaalsContact C-N 3.35Å; L1175-M1178 PolarHBondContact O-N 2.95Å; L1175-A1179 WeakPolarHBondContact O-CB 3.36Å; L1175-A1179 PolarHBondContact O-N 3.29Å; L1175-L1191 HydrophobicContact CD1-CD1 4.48Å; L1175-L1191 HydrophobicContact CD1-CD2 3.4Å; L1175-L1191 HydrophobicContact CG-CD2 4.06Å; L1175-L1195 HydrophobicContact CD2-CD2 3.69Å; L1175-L1195 HydrophobicContact CD2-CG 4.24Å; L1175-L1195 HydrophobicContact CG-CD2 4.36Å; L1175-L1198 HydrophobicContact CD2-CD1 3.49Å; L1175-L1198 VanDerWaalsContact CD2-CD1 3.49Å |
| 1176 | F | 97.3 | Very high | 95 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 175.3 | -84.5 | -77.8 | 0 | 0 | 0 | 112.1 | L1172 M1178 A1179 E1180 L1195 W1209 N1212 | L1172-F1176 HydrophobicContact CD2-CE2 4.43Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.38Å; L1172-F1176 PolarHBondContact O-N 3.47Å; F1176-M1178 VanDerWaalsContact C-N 3.31Å; F1176-M1178 PolarHBondContact O-N 3.15Å; F1176-A1179 PolarHBondContact O-N 3.43Å; F1176-E1180 WeakPolarHBondContact O-CB 3.5Å; F1176-E1180 PolarHBondContact O-N 3.39Å; F1176-L1195 HydrophobicContact CD1-CD1 4.05Å; F1176-L1195 HydrophobicContact CD2-CD2 4.17Å; F1176-L1195 HydrophobicContact CE1-CD1 3.72Å; F1176-L1195 HydrophobicContact CE1-CD2 4.1Å; F1176-L1195 HydrophobicContact CE2-CD2 3.59Å; F1176-L1195 HydrophobicContact CZ-CD1 4.04Å; F1176-L1195 HydrophobicContact CZ-CD2 3.55Å; F1176-L1195 HydrophobicContact CZ-CG 4.37Å; F1176-W1209 HydrophobicContact CB-CE3 4.21Å; F1176-W1209 HydrophobicContact CB-CZ3 4.33Å; F1176-W1209 HydrophobicContact CD2-CB 4.09Å; F1176-W1209 AromaticContact CD2-CD2 3.81Å; F1176-W1209 HydrophobicContact CD2-CD2 3.81Å; F1176-W1209 AromaticContact CD2-CE3 3.57Å; F1176-W1209 HydrophobicContact CD2-CE3 3.57Å; F1176-W1209 HydrophobicContact CD2-CG 4.05Å; F1176-W1209 HydrophobicContact CD2-CZ3 4.3Å; F1176-W1209 HydrophobicContact CE1-CB 4.12Å; F1176-W1209 HydrophobicContact CE2-CB 3.36Å; F1176-W1209 AromaticContact CE2-CD2 3.91Å; F1176-W1209 HydrophobicContact CE2-CD2 3.91Å; F1176-W1209 HydrophobicContact CE2-CE3 4.08Å; F1176-W1209 AromaticContact CE2-CG 3.62Å; F1176-W1209 HydrophobicContact CE2-CG 3.62Å; F1176-W1209 AromaticContact CG-CE3 3.87Å; F1176-W1209 HydrophobicContact CG-CE3 3.87Å; F1176-W1209 HydrophobicContact CG-CZ3 4.47Å; F1176-W1209 HydrophobicContact CZ-CB 3.38Å; F1176-W1209 HydrophobicContact CZ-CG 4.17Å; F1176-N1212 HydrophobicContact CD1-CB 3.71Å; F1176-N1212 HydrophobicContact CE1-CB 3.81Å |
| 1177 | T | 95.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | Q1173 L1174 L1175 E1180 R1181 | Q1173-T1177 VanDerWaalsContact O-CB 3.27Å; Q1173-T1177 WeakPolarHBondContact O-CB 3.28Å; Q1173-T1177 PolarHBondContact O-N 2.86Å; Q1173-T1177 PolarHBondContact O-OG1 2.94Å; L1174-T1177 WeakPolarHBondContact O-CB 3.39Å; L1174-T1177 PolarHBondContact O-N 3.44Å; L1175-T1177 VanDerWaalsContact C-N 3.35Å; T1177-E1180 PolarHBondContact O-N 3.24Å; T1177-R1181 WeakPolarHBondContact O-CB 3.29Å; T1177-R1181 PolarHBondContact O-N 3.44Å |
| 1178 | M | 96.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 175.3 | -68 | 171.5 | 71.1 | 0 | 0 | 111.9 | C1138 S1154 L1174 L1175 F1176 E1180 S1182 L1191 | C1138-M1178 HydrophobicContact CB-CE 4.09Å; C1138-M1178 HydrophobicContact CB-SD 3.83Å; S1154-M1178 VanDerWaalsContact CB-CE 3.41Å; L1174-M1178 HydrophobicContact CD1-CG 4.33Å; L1174-M1178 HydrophobicContact CD1-SD 4.19Å; L1174-M1178 HydrophobicContact CG-SD 4.08Å; L1174-M1178 VanDerWaalsContact O-CG 3.3Å; L1174-M1178 WeakPolarHBondContact O-CG 3.42Å; L1174-M1178 PolarHBondContact O-N 3.5Å; L1175-M1178 PolarHBondContact O-N 2.95Å; F1176-M1178 VanDerWaalsContact C-N 3.31Å; F1176-M1178 PolarHBondContact O-N 3.15Å; M1178-E1180 PolarHBondContact O-N 3Å; M1178-S1182 WeakPolarHBondContact O-CB 2.88Å; M1178-S1182 PolarHBondContact O-N 2.97Å; M1178-L1191 HydrophobicContact CB-CD1 3.56Å |
| 1179 | A | 95.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -28.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1175 F1176 R1188 L1191 I1192 L1195 R1216 | L1175-A1179 WeakPolarHBondContact O-CB 3.36Å; L1175-A1179 PolarHBondContact O-N 3.29Å; F1176-A1179 PolarHBondContact O-N 3.43Å; A1179-R1188 WeakPolarHBondContact O-CD 3.49Å; A1179-L1191 HydrophobicContact CB-CB 4.17Å; A1179-L1191 HydrophobicContact CB-CD1 4.29Å; A1179-I1192 HydrophobicContact CB-CD1 4.24Å; A1179-L1195 HydrophobicContact CB-CD1 4.14Å; A1179-R1216 PolarHBondContact O-NH1 2.9Å |
| 1180 | E | 94.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 51 Ų | 51 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -84.8 | -49.9 | 176.4 | -177.3 | -171.5 | 133.6 | 0 | 0 | 113.5 | F1176 T1177 M1178 | F1176-E1180 WeakPolarHBondContact O-CB 3.5Å; F1176-E1180 PolarHBondContact O-N 3.39Å; T1177-E1180 PolarHBondContact O-N 3.24Å; M1178-E1180 PolarHBondContact O-N 3Å |
| 1181 | R | 93.5 | Very high | 95.7 | Very high | 173 Ų | 173 | 46.8 Ų | 46.8 | 65% | 0.653 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -110.1 | -7.2 | -161.2 | -59.8 | -170.2 | 175.7 | -175.1 | -1.4 | 115.2 | T1177 Q1183 | T1177-R1181 WeakPolarHBondContact O-CB 3.29Å; T1177-R1181 PolarHBondContact O-N 3.44Å; R1181-Q1183 PolarHBondContact O-N 3.18Å |
| 1182 | S | 94.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | trans | -60.4 | 135.9 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | M1178 S1184 R1188 | M1178-S1182 WeakPolarHBondContact O-CB 2.88Å; M1178-S1182 PolarHBondContact O-N 2.97Å; S1182-S1184 VanDerWaalsContact C-N 3.32Å; S1182-S1184 PolarHBondContact OG-N 3.19Å; S1182-R1188 WeakPolarHBondContact O-CD 3.43Å; S1182-R1188 PolarHBondContact O-NH1 2.71Å | ||
| 1183 | Q | 93.1 | Very high | 95.8 | Very high | 178 Ų | 178 | 47.2 Ų | 47.2 | 83% | 0.832 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -72.9 | -29.5 | 176.1 | -61.2 | -59.6 | -38.1 | 0 | 0 | 111.6 | R1181 E1185 R1188 | R1181-Q1183 PolarHBondContact O-N 3.18Å; Q1183-E1185 PolarHBondContact O-N 3.28Å; Q1183-R1188 PolarHBondContact O-NH1 2.89Å |
| 1184 | S | 93.9 | Very high | 95.8 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | trans | -74.8 | 118.3 | 177 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | E1147 S1182 I1186 V1187 R1188 | E1147-S1184 WeakPolarHBondContact CG-OG 3.5Å; E1147-S1184 WeakPolarHBondContact OE1-CB 3.4Å; E1147-S1184 PolarHBondContact OE1-OG 3.15Å; S1182-S1184 VanDerWaalsContact C-N 3.32Å; S1182-S1184 PolarHBondContact OG-N 3.19Å; S1184-I1186 VanDerWaalsContact C-N 3.27Å; S1184-I1186 PolarHBondContact O-N 3.16Å; S1184-I1186 PolarHBondContact OG-N 3.38Å; S1184-V1187 PolarHBondContact O-N 3.03Å; S1184-V1187 WeakPolarHBondContact OG-CG2 3.31Å; S1184-V1187 PolarHBondContact OG-N 3.34Å; S1184-R1188 WeakPolarHBondContact O-CG 3.34Å; S1184-R1188 PolarHBondContact O-N 3.03Å; S1184-R1188 VanDerWaalsContact O-N 3.16Å | ||
| 1185 | E | 95 | Very high | 95.8 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 40% | 0.397 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.6 | -29.2 | 172.3 | 57.1 | 163.4 | -157 | 0 | 0 | 112.9 | Q1183 R1188 A1189 S1221 V1224 | Q1183-E1185 PolarHBondContact O-N 3.28Å; E1185-R1188 PolarHBondContact O-N 2.71Å; E1185-A1189 WeakPolarHBondContact O-CB 3.42Å; E1185-A1189 PolarHBondContact O-N 3.25Å; E1185-S1221 WeakPolarHBondContact OE2-CB 3.34Å; E1185-S1221 PolarHBondContact OE2-OG 2.85Å; E1185-V1224 HydrophobicContact CB-CG2 4.47Å |
| 1186 | I | 93.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 176.7 | -60.5 | 174 | 0 | 0 | 0 | 109.5 | A1151 S1184 A1189 N1190 | A1151-I1186 HydrophobicContact CB-CG2 4.45Å; S1184-I1186 VanDerWaalsContact C-N 3.27Å; S1184-I1186 PolarHBondContact O-N 3.16Å; S1184-I1186 PolarHBondContact OG-N 3.38Å; I1186-A1189 PolarHBondContact O-N 3.01Å; I1186-N1190 VanDerWaalsContact O-CB 3.28Å; I1186-N1190 WeakPolarHBondContact O-CB 3.46Å; I1186-N1190 PolarHBondContact O-N 3.28Å; I1186-N1190 PolarHBondContact O-ND2 3.27Å |
| 1187 | V | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | Q1150 A1151 S1184 A1189 N1190 L1191 | Q1150-V1187 HydrophobicContact CB-CG2 4.12Å; A1151-V1187 HydrophobicContact CB-CG2 4.11Å; S1184-V1187 PolarHBondContact O-N 3.03Å; S1184-V1187 WeakPolarHBondContact OG-CG2 3.31Å; S1184-V1187 PolarHBondContact OG-N 3.34Å; V1187-A1189 PolarHBondContact O-N 2.91Å; V1187-N1190 PolarHBondContact O-N 2.86Å; V1187-L1191 HydrophobicContact CG1-CD1 3.9Å; V1187-L1191 HydrophobicContact CG1-CG 4.39Å; V1187-L1191 WeakPolarHBondContact O-CB 3.32Å; V1187-L1191 VanDerWaalsContact O-CG 3.25Å; V1187-L1191 WeakPolarHBondContact O-CG 3.17Å; V1187-L1191 PolarHBondContact O-N 3.41Å |
| 1188 | R | 97.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | -179.9 | -64 | -162.7 | -53 | -89.4 | 2.2 | 111.1 | A1179 S1182 Q1183 S1184 E1185 N1190 L1191 I1192 D1219 V1224 | A1179-R1188 WeakPolarHBondContact O-CD 3.49Å; S1182-R1188 WeakPolarHBondContact O-CD 3.43Å; S1182-R1188 PolarHBondContact O-NH1 2.71Å; Q1183-R1188 PolarHBondContact O-NH1 2.89Å; S1184-R1188 WeakPolarHBondContact O-CG 3.34Å; S1184-R1188 PolarHBondContact O-N 3.03Å; S1184-R1188 VanDerWaalsContact O-N 3.16Å; E1185-R1188 PolarHBondContact O-N 2.71Å; R1188-N1190 PolarHBondContact O-N 3.35Å; R1188-L1191 PolarHBondContact O-N 2.92Å; R1188-I1192 VanDerWaalsContact O-CG1 3.3Å; R1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; R1188-I1192 PolarHBondContact O-N 3.34Å; R1188-I1192 VanDerWaalsContact O-N 3.08Å; R1188-D1219 IonicContact CZ-OD1 2.99Å; R1188-D1219 IonicContact NE-OD1 2.62Å; R1188-D1219 PolarHBondContact NE-OD1 2.95Å; R1188-D1219 IonicContact NE-OD2 3.16Å; R1188-D1219 PolarHBondContact NE-OD2 3Å; R1188-D1219 VanDerWaalsContact NE-OD2 3.15Å; R1188-D1219 IonicContact NH2-OD1 3.86Å; R1188-D1219 PolarHBondContact NH2-OD1 3.42Å; R1188-V1224 HydrophobicContact CB-CG1 4.3Å; R1188-V1224 HydrophobicContact CB-CG2 3.68Å |
| 1189 | A | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | E1185 I1186 V1187 I1192 K1223 V1224 N1227 | E1185-A1189 WeakPolarHBondContact O-CB 3.42Å; E1185-A1189 PolarHBondContact O-N 3.25Å; I1186-A1189 PolarHBondContact O-N 3.01Å; V1187-A1189 PolarHBondContact O-N 2.91Å; A1189-I1192 PolarHBondContact O-N 3.07Å; A1189-K1223 HydrophobicContact CB-CD 4.38Å; A1189-K1223 HydrophobicContact CB-CG 4.01Å; A1189-V1224 HydrophobicContact CB-CG2 4.03Å; A1189-N1227 PolarHBondContact O-ND2 3.19Å |
| 1190 | N | 94.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.3 | -74.5 | -8.5 | 0 | 0 | 0 | 111.7 | L1155 I1186 V1187 R1188 I1192 V1193 A1194 | L1155-N1190 HydrophobicContact CD1-CB 4.27Å; L1155-N1190 HydrophobicContact CD2-CB 3.87Å; L1155-N1190 HydrophobicContact CG-CB 4.05Å; I1186-N1190 VanDerWaalsContact O-CB 3.28Å; I1186-N1190 WeakPolarHBondContact O-CB 3.46Å; I1186-N1190 PolarHBondContact O-N 3.28Å; I1186-N1190 PolarHBondContact O-ND2 3.27Å; V1187-N1190 PolarHBondContact O-N 2.86Å; R1188-N1190 PolarHBondContact O-N 3.35Å; N1190-I1192 VanDerWaalsContact C-N 3.3Å; N1190-I1192 PolarHBondContact O-N 2.87Å; N1190-V1193 PolarHBondContact O-N 2.95Å; N1190-A1194 PolarHBondContact O-N 3.44Å |
| 1191 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -32 | 177.5 | -75 | -178.8 | 0 | 0 | 0 | 112.7 | A1158 L1175 M1178 A1179 V1187 R1188 A1194 L1195 | A1158-L1191 HydrophobicContact CB-CD2 4.46Å; L1175-L1191 HydrophobicContact CD1-CD1 4.48Å; L1175-L1191 HydrophobicContact CD1-CD2 3.4Å; L1175-L1191 HydrophobicContact CG-CD2 4.06Å; M1178-L1191 HydrophobicContact CB-CD1 3.56Å; A1179-L1191 HydrophobicContact CB-CB 4.17Å; A1179-L1191 HydrophobicContact CB-CD1 4.29Å; V1187-L1191 HydrophobicContact CG1-CD1 3.9Å; V1187-L1191 HydrophobicContact CG1-CG 4.39Å; V1187-L1191 WeakPolarHBondContact O-CB 3.32Å; V1187-L1191 VanDerWaalsContact O-CG 3.25Å; V1187-L1191 WeakPolarHBondContact O-CG 3.17Å; V1187-L1191 PolarHBondContact O-N 3.41Å; R1188-L1191 PolarHBondContact O-N 2.92Å; L1191-A1194 PolarHBondContact O-N 2.96Å; L1191-L1195 VanDerWaalsContact O-CB 3.31Å; L1191-L1195 WeakPolarHBondContact O-CB 3.43Å; L1191-L1195 WeakPolarHBondContact O-CG 3.31Å; L1191-L1195 PolarHBondContact O-N 3.27Å |
| 1192 | I | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.8 | -60.9 | -36 | 0 | 0 | 0 | 111.4 | A1179 R1188 A1189 N1190 A1194 L1195 G1196 L1213 R1216 V1224 N1227 A1228 | A1179-I1192 HydrophobicContact CB-CD1 4.24Å; R1188-I1192 VanDerWaalsContact O-CG1 3.3Å; R1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; R1188-I1192 PolarHBondContact O-N 3.34Å; R1188-I1192 VanDerWaalsContact O-N 3.08Å; A1189-I1192 PolarHBondContact O-N 3.07Å; N1190-I1192 VanDerWaalsContact C-N 3.3Å; N1190-I1192 PolarHBondContact O-N 2.87Å; I1192-A1194 VanDerWaalsContact C-N 3.33Å; I1192-A1194 PolarHBondContact O-N 3.12Å; I1192-L1195 HydrophobicContact CD1-CD1 4.46Å; I1192-L1195 PolarHBondContact O-N 2.92Å; I1192-G1196 PolarHBondContact O-N 3Å; I1192-L1213 HydrophobicContact CG2-CD1 4.16Å; I1192-R1216 HydrophobicContact CD1-CB 3.96Å; I1192-R1216 HydrophobicContact CD1-CG 3.5Å; I1192-R1216 VanDerWaalsContact CD1-CG 3.5Å; I1192-R1216 HydrophobicContact CG1-CB 4.43Å; I1192-R1216 HydrophobicContact CG1-CG 4.46Å; I1192-V1224 HydrophobicContact CG1-CG1 3.95Å; I1192-N1227 HydrophobicContact CB-CB 4.47Å; I1192-N1227 HydrophobicContact CG2-CB 4.47Å; I1192-A1228 VanDerWaalsContact CG2-CA 3.42Å; I1192-A1228 HydrophobicContact CG2-CB 3.87Å |
| 1193 | V | 96.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | N1190 L1195 G1196 D1197 N1227 | N1190-V1193 PolarHBondContact O-N 2.95Å; V1193-L1195 PolarHBondContact O-N 3.02Å; V1193-G1196 WeakPolarHBondContact O-CA 3.44Å; V1193-G1196 PolarHBondContact O-N 2.83Å; V1193-D1197 PolarHBondContact O-N 3Å; V1193-D1197 VanDerWaalsContact O-N 3.1Å; V1193-N1227 HydrophobicContact CG2-CB 4.19Å |
| 1194 | A | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -35.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1158 N1190 L1191 I1192 G1196 D1197 L1198 | A1158-A1194 HydrophobicContact CB-CB 3.55Å; N1190-A1194 PolarHBondContact O-N 3.44Å; L1191-A1194 PolarHBondContact O-N 2.96Å; I1192-A1194 VanDerWaalsContact C-N 3.33Å; I1192-A1194 PolarHBondContact O-N 3.12Å; A1194-G1196 VanDerWaalsContact C-N 3.25Å; A1194-G1196 PolarHBondContact O-N 2.77Å; A1194-D1197 PolarHBondContact O-N 3.21Å; A1194-L1198 WeakPolarHBondContact O-CG 3.49Å; A1194-L1198 PolarHBondContact O-N 3.03Å |
| 1195 | L | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 170.9 | -77.5 | 169.5 | 0 | 0 | 0 | 111.6 | L1175 F1176 A1179 L1191 I1192 V1193 L1198 C1199 L1213 | L1175-L1195 HydrophobicContact CD2-CD2 3.69Å; L1175-L1195 HydrophobicContact CD2-CG 4.24Å; L1175-L1195 HydrophobicContact CG-CD2 4.36Å; F1176-L1195 HydrophobicContact CD1-CD1 4.05Å; F1176-L1195 HydrophobicContact CD2-CD2 4.17Å; F1176-L1195 HydrophobicContact CE1-CD1 3.72Å; F1176-L1195 HydrophobicContact CE1-CD2 4.1Å; F1176-L1195 HydrophobicContact CE2-CD2 3.59Å; F1176-L1195 HydrophobicContact CZ-CD1 4.04Å; F1176-L1195 HydrophobicContact CZ-CD2 3.55Å; F1176-L1195 HydrophobicContact CZ-CG 4.37Å; A1179-L1195 HydrophobicContact CB-CD1 4.14Å; L1191-L1195 VanDerWaalsContact O-CB 3.31Å; L1191-L1195 WeakPolarHBondContact O-CB 3.43Å; L1191-L1195 WeakPolarHBondContact O-CG 3.31Å; L1191-L1195 PolarHBondContact O-N 3.27Å; I1192-L1195 HydrophobicContact CD1-CD1 4.46Å; I1192-L1195 PolarHBondContact O-N 2.92Å; V1193-L1195 PolarHBondContact O-N 3.02Å; L1195-L1198 HydrophobicContact CD2-CD1 4.31Å; L1195-L1198 PolarHBondContact O-N 2.86Å; L1195-C1199 WeakPolarHBondContact O-CB 3.43Å; L1195-C1199 PolarHBondContact O-N 3.36Å; L1195-L1213 HydrophobicContact CB-CD1 4.16Å; L1195-L1213 HydrophobicContact CD1-CD1 4.38Å |
| 1196 | G | 95 | Very high | 95 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | I1192 V1193 A1194 C1199 R1200 T1231 | I1192-G1196 PolarHBondContact O-N 3Å; V1193-G1196 WeakPolarHBondContact O-CA 3.44Å; V1193-G1196 PolarHBondContact O-N 2.83Å; A1194-G1196 VanDerWaalsContact C-N 3.25Å; A1194-G1196 PolarHBondContact O-N 2.77Å; G1196-C1199 WeakPolarHBondContact O-CB 3.46Å; G1196-C1199 PolarHBondContact O-N 2.92Å; G1196-R1200 PolarHBondContact O-N 2.9Å; G1196-T1231 VanDerWaalsContact CA-CG2 3.42Å |
| 1197 | D | 95.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.7 | -41 | 176.3 | -63.7 | -24.7 | 0 | 0 | 0 | 111.6 | L1162 V1193 A1194 C1199 R1200 R1201 | L1162-D1197 HydrophobicContact CD1-CB 4.29Å; L1162-D1197 HydrophobicContact CD2-CB 4.05Å; V1193-D1197 PolarHBondContact O-N 3Å; V1193-D1197 VanDerWaalsContact O-N 3.1Å; A1194-D1197 PolarHBondContact O-N 3.21Å; D1197-C1199 VanDerWaalsContact C-N 3.3Å; D1197-C1199 PolarHBondContact O-N 3.25Å; D1197-R1200 PolarHBondContact O-N 3.4Å; D1197-R1200 IonicContact OD1-NH1 3.28Å; D1197-R1200 PolarHBondContact OD1-NH1 3.31Å; D1197-R1201 WeakPolarHBondContact O-CB 3.17Å; D1197-R1201 PolarHBondContact O-N 3.28Å |
| 1198 | L | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -35.6 | 173.1 | -70 | 169.7 | 0 | 0 | 0 | 112.1 | M1161 L1162 L1175 A1194 L1195 R1200 R1201 F1202 I1206 | M1161-L1198 HydrophobicContact CB-CD2 3.91Å; M1161-L1198 HydrophobicContact CE-CD1 4.05Å; L1162-L1198 HydrophobicContact CD2-CD2 3.72Å; L1162-L1198 HydrophobicContact CD2-CG 4.16Å; L1162-L1198 HydrophobicContact CG-CD2 3.87Å; L1162-L1198 HydrophobicContact CG-CG 4.46Å; L1175-L1198 HydrophobicContact CD2-CD1 3.49Å; L1175-L1198 VanDerWaalsContact CD2-CD1 3.49Å; A1194-L1198 WeakPolarHBondContact O-CG 3.49Å; A1194-L1198 PolarHBondContact O-N 3.03Å; L1195-L1198 HydrophobicContact CD2-CD1 4.31Å; L1195-L1198 PolarHBondContact O-N 2.86Å; L1198-R1200 VanDerWaalsContact C-N 3.34Å; L1198-R1201 PolarHBondContact O-N 3.41Å; L1198-F1202 HydrophobicContact CD2-CD2 4.24Å; L1198-F1202 HydrophobicContact CD2-CE2 4.34Å; L1198-F1202 PolarHBondContact O-N 3.44Å; L1198-I1206 HydrophobicContact CB-CD1 4.21Å; L1198-I1206 HydrophobicContact CB-CG1 4.34Å |
| 1199 | C | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 175.4 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | L1195 G1196 D1197 R1201 P1203 I1206 L1235 V1241 | L1195-C1199 WeakPolarHBondContact O-CB 3.43Å; L1195-C1199 PolarHBondContact O-N 3.36Å; G1196-C1199 WeakPolarHBondContact O-CB 3.46Å; G1196-C1199 PolarHBondContact O-N 2.92Å; D1197-C1199 VanDerWaalsContact C-N 3.3Å; D1197-C1199 PolarHBondContact O-N 3.25Å; C1199-R1201 VanDerWaalsContact C-N 3.31Å; C1199-P1203 WeakPolarHBondContact O-CA 3.47Å; C1199-I1206 HydrophobicContact CB-CB 4.39Å; C1199-I1206 HydrophobicContact CB-CG2 3.94Å; C1199-L1235 HydrophobicContact CB-CD1 3.99Å; C1199-L1235 HydrophobicContact CB-CD2 4Å; C1199-V1241 VanDerWaalsContact SG-CG2 3.51Å |
| 1200 | R | 92.3 | Very high | 94.1 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 174.3 | -64.4 | -167.1 | -168.7 | 89.5 | 1.6 | 111.8 | G1196 D1197 L1198 L1235 M1240 | G1196-R1200 PolarHBondContact O-N 2.9Å; D1197-R1200 PolarHBondContact O-N 3.4Å; D1197-R1200 IonicContact OD1-NH1 3.28Å; D1197-R1200 PolarHBondContact OD1-NH1 3.31Å; L1198-R1200 VanDerWaalsContact C-N 3.34Å; R1200-L1235 HydrophobicContact CG-CD2 3.62Å; R1200-M1240 HydrophobicContact CB-CE 4.28Å; R1200-M1240 HydrophobicContact CG-CG 4.27Å; R1200-M1240 VanDerWaalsContact O-CE 3.28Å; R1200-M1240 WeakPolarHBondContact O-CE 3.39Å |
| 1201 | R | 92 | Very high | 93.9 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.9 | -45.3 | -174.2 | -177.1 | 57.6 | 175.4 | -124.4 | 6.7 | 113.5 | E1038 L1162 D1197 L1198 C1199 | E1038-R1201 IonicContact OE1-CZ 2.72Å; E1038-R1201 IonicContact OE1-NH1 2.97Å; E1038-R1201 PolarHBondContact OE1-NH1 2.9Å; E1038-R1201 IonicContact OE1-NH2 3.3Å; E1038-R1201 PolarHBondContact OE1-NH2 2.84Å; E1038-R1201 IonicContact OE2-CZ 3.22Å; E1038-R1201 IonicContact OE2-NH1 3.49Å; E1038-R1201 PolarHBondContact OE2-NH1 3.44Å; E1038-R1201 IonicContact OE2-NH2 3.24Å; L1162-R1201 HydrophobicContact CD2-CB 3.86Å; L1162-R1201 HydrophobicContact CD2-CG 4.18Å; L1162-R1201 PolarHBondContact O-NE 3.31Å; D1197-R1201 WeakPolarHBondContact O-CB 3.17Å; D1197-R1201 PolarHBondContact O-N 3.28Å; L1198-R1201 PolarHBondContact O-N 3.41Å; C1199-R1201 VanDerWaalsContact C-N 3.31Å |
| 1202 | F | 94 | Very high | 93.6 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | trans | -129 | 64.8 | -176.3 | -51.6 | -62.9 | 0 | 0 | 0 | 110.9 | M1161 L1162 A1165 C1168 L1198 N1204 L1205 I1206 | M1161-F1202 VanDerWaalsContact O-CE2 3.29Å; M1161-F1202 WeakPolarHBondContact O-CE2 3.41Å; L1162-F1202 WeakPolarHBondContact O-CZ 3.39Å; A1165-F1202 HydrophobicContact CB-CD1 4Å; A1165-F1202 HydrophobicContact CB-CE1 3.91Å; C1168-F1202 HydrophobicContact CB-CD2 4.24Å; C1168-F1202 HydrophobicContact CB-CE2 4.2Å; L1198-F1202 HydrophobicContact CD2-CD2 4.24Å; L1198-F1202 HydrophobicContact CD2-CE2 4.34Å; L1198-F1202 PolarHBondContact O-N 3.44Å; F1202-N1204 VanDerWaalsContact C-N 3.25Å; F1202-N1204 PolarHBondContact O-N 3.38Å; F1202-L1205 HydrophobicContact CB-CB 4.02Å; F1202-L1205 HydrophobicContact CB-CD1 3.99Å; F1202-L1205 HydrophobicContact CB-CG 4.15Å; F1202-L1205 HydrophobicContact CG-CD1 4.25Å; F1202-L1205 PolarHBondContact O-N 3.16Å; F1202-I1206 PolarHBondContact O-N 3.31Å; F1202-I1206 VanDerWaalsContact O-N 3.16Å | ||
| 1203 | P | 91.4 | Very high | 93.4 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.3 | -39.6 | -174.5 | 21.6 | -33.2 | 0 | 0 | 0 | 112.5 | C1199 L1205 I1206 E1207 | C1199-P1203 WeakPolarHBondContact O-CA 3.47Å; P1203-L1205 VanDerWaalsContact C-N 3.34Å; P1203-L1205 PolarHBondContact O-N 3.45Å; P1203-I1206 PolarHBondContact O-N 3.44Å; P1203-E1207 WeakPolarHBondContact O-CB 3.47Å; P1203-E1207 PolarHBondContact O-N 3.34Å |
| 1204 | N | 91.3 | Very high | 93.2 | Very high | 134 Ų | 134 | 41.6 Ų | 41.6 | 72% | 0.717 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.1 | -34.2 | 179.8 | -62.3 | -20.8 | 0 | 0 | 0 | 113.1 | F1202 | F1202-N1204 VanDerWaalsContact C-N 3.25Å; F1202-N1204 PolarHBondContact O-N 3.38Å |
| 1205 | L | 94.6 | Very high | 93 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.8 | -31.9 | 177.3 | -67.9 | -174.9 | 0 | 0 | 0 | 111.9 | A1165 C1168 E1169 L1172 F1202 P1203 | A1165-L1205 HydrophobicContact CB-CD1 3.81Å; C1168-L1205 HydrophobicContact CB-CD1 4.36Å; E1169-L1205 HydrophobicContact CB-CD1 4.36Å; E1169-L1205 HydrophobicContact CB-CD2 4.48Å; L1172-L1205 HydrophobicContact CD1-CB 4.22Å; F1202-L1205 HydrophobicContact CB-CB 4.02Å; F1202-L1205 HydrophobicContact CB-CD1 3.99Å; F1202-L1205 HydrophobicContact CB-CG 4.15Å; F1202-L1205 HydrophobicContact CG-CD1 4.25Å; F1202-L1205 PolarHBondContact O-N 3.16Å; P1203-L1205 VanDerWaalsContact C-N 3.34Å; P1203-L1205 PolarHBondContact O-N 3.45Å |
| 1206 | I | 93.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -90.4 | -22.6 | -175.9 | -58.1 | -61 | 0 | 0 | 0 | 112.6 | L1172 L1198 C1199 F1202 P1203 P1208 W1209 T1210 | L1172-I1206 HydrophobicContact CD1-CD1 4.28Å; L1172-I1206 HydrophobicContact CD2-CD1 3.4Å; L1198-I1206 HydrophobicContact CB-CD1 4.21Å; L1198-I1206 HydrophobicContact CB-CG1 4.34Å; C1199-I1206 HydrophobicContact CB-CB 4.39Å; C1199-I1206 HydrophobicContact CB-CG2 3.94Å; F1202-I1206 PolarHBondContact O-N 3.31Å; F1202-I1206 VanDerWaalsContact O-N 3.16Å; P1203-I1206 PolarHBondContact O-N 3.44Å; I1206-P1208 VanDerWaalsContact C-CD 3.49Å; I1206-W1209 CarbonylContact O-C 3.54Å; I1206-W1209 WeakPolarHBondContact O-CA 3.46Å; I1206-W1209 WeakPolarHBondContact O-CB 3.5Å; I1206-W1209 PolarHBondContact O-N 2.9Å; I1206-T1210 PolarHBondContact O-N 3.35Å; I1206-T1210 PolarHBondContact O-OG1 3.43Å |
| 1207 | E | 89.9 | Confident | 92.8 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -49.1 | -48.5 | -179.8 | -178.7 | 176.9 | -164.7 | 0 | 0 | 113 | P1203 W1209 T1210 K1244 | P1203-E1207 WeakPolarHBondContact O-CB 3.47Å; P1203-E1207 PolarHBondContact O-N 3.34Å; E1207-W1209 PolarHBondContact O-N 2.8Å; E1207-T1210 WeakPolarHBondContact CA-OG1 3.39Å; E1207-T1210 WeakPolarHBondContact O-CB 3.43Å; E1207-T1210 PolarHBondContact O-N 3.23Å; E1207-T1210 PolarHBondContact O-OG1 3.14Å; E1207-T1210 VanDerWaalsContact O-OG1 3.09Å; E1207-K1244 IonicContact OE1-NZ 2.67Å; E1207-K1244 PolarHBondContact OE1-NZ 3.47Å |
| 1208 | P | 91.5 | Very high | 92.6 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.8 | -25.2 | 178.1 | -21.6 | 34.2 | 0 | 0 | 0 | 113.8 | I1206 | I1206-P1208 VanDerWaalsContact C-CD 3.49Š|
| 1209 | W | 92.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -93.7 | -10.8 | -177.8 | -58.4 | 88.8 | 0 | 0 | 0 | 113.7 | L1172 Q1173 F1176 I1206 E1207 P1211 N1212 | L1172-W1209 HydrophobicContact CB-CZ2 4.3Å; Q1173-W1209 HydrophobicContact CB-CH2 4.12Å; F1176-W1209 HydrophobicContact CB-CE3 4.21Å; F1176-W1209 HydrophobicContact CB-CZ3 4.33Å; F1176-W1209 HydrophobicContact CD2-CB 4.09Å; F1176-W1209 AromaticContact CD2-CD2 3.81Å; F1176-W1209 HydrophobicContact CD2-CD2 3.81Å; F1176-W1209 AromaticContact CD2-CE3 3.57Å; F1176-W1209 HydrophobicContact CD2-CE3 3.57Å; F1176-W1209 HydrophobicContact CD2-CG 4.05Å; F1176-W1209 HydrophobicContact CD2-CZ3 4.3Å; F1176-W1209 HydrophobicContact CE1-CB 4.12Å; F1176-W1209 HydrophobicContact CE2-CB 3.36Å; F1176-W1209 AromaticContact CE2-CD2 3.91Å; F1176-W1209 HydrophobicContact CE2-CD2 3.91Å; F1176-W1209 HydrophobicContact CE2-CE3 4.08Å; F1176-W1209 AromaticContact CE2-CG 3.62Å; F1176-W1209 HydrophobicContact CE2-CG 3.62Å; F1176-W1209 AromaticContact CG-CE3 3.87Å; F1176-W1209 HydrophobicContact CG-CE3 3.87Å; F1176-W1209 HydrophobicContact CG-CZ3 4.47Å; F1176-W1209 HydrophobicContact CZ-CB 3.38Å; F1176-W1209 HydrophobicContact CZ-CG 4.17Å; I1206-W1209 CarbonylContact O-C 3.54Å; I1206-W1209 WeakPolarHBondContact O-CA 3.46Å; I1206-W1209 WeakPolarHBondContact O-CB 3.5Å; I1206-W1209 PolarHBondContact O-N 2.9Å; E1207-W1209 PolarHBondContact O-N 2.8Å; W1209-P1211 VanDerWaalsContact C-N 3.31Å; W1209-N1212 WeakPolarHBondContact O-CA 3.32Å; W1209-N1212 VanDerWaalsContact O-CB 3.25Å; W1209-N1212 WeakPolarHBondContact O-CB 3.38Å; W1209-N1212 PolarHBondContact O-N 3.46Å; W1209-N1212 PolarHBondContact O-ND2 3.21Å; W1209-N1212 VanDerWaalsContact O-ND2 3.12Å |
| 1210 | T | 91 | Very high | 92.5 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.3 | -40.1 | -179.2 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | I1206 E1207 N1212 L1213 Y1214 V1241 | I1206-T1210 PolarHBondContact O-N 3.35Å; I1206-T1210 PolarHBondContact O-OG1 3.43Å; E1207-T1210 WeakPolarHBondContact CA-OG1 3.39Å; E1207-T1210 WeakPolarHBondContact O-CB 3.43Å; E1207-T1210 PolarHBondContact O-N 3.23Å; E1207-T1210 PolarHBondContact O-OG1 3.14Å; E1207-T1210 VanDerWaalsContact O-OG1 3.09Å; T1210-N1212 PolarHBondContact O-N 2.77Å; T1210-L1213 WeakPolarHBondContact O-CB 3.32Å; T1210-L1213 PolarHBondContact O-N 3Å; T1210-Y1214 HydrophobicContact CG2-CD2 3.88Å; T1210-Y1214 HydrophobicContact CG2-CE2 3.59Å; T1210-Y1214 WeakPolarHBondContact O-CD2 3.48Å; T1210-Y1214 PolarHBondContact O-N 2.95Å; T1210-Y1214 VanDerWaalsContact O-N 3.17Å; T1210-V1241 HydrophobicContact CG2-CG1 3.94Å |
| 1211 | P | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.4 | -35.8 | 173 | -17.2 | 21.6 | 0 | 0 | 0 | 113.9 | W1209 L1213 Y1214 A1215 Q1246 | W1209-P1211 VanDerWaalsContact C-N 3.31Å; P1211-L1213 VanDerWaalsContact C-N 3.31Å; P1211-L1213 PolarHBondContact O-N 3.45Å; P1211-Y1214 PolarHBondContact O-N 2.96Å; P1211-A1215 PolarHBondContact O-N 3.45Å; P1211-Q1246 VanDerWaalsContact CG-NE2 3.27Å |
| 1212 | N | 92.2 | Very high | 92.7 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.5 | -31 | 178.2 | -56.8 | -78.8 | 0 | 0 | 0 | 111.7 | F1176 W1209 T1210 A1215 R1216 | F1176-N1212 HydrophobicContact CD1-CB 3.71Å; F1176-N1212 HydrophobicContact CE1-CB 3.81Å; W1209-N1212 WeakPolarHBondContact O-CA 3.32Å; W1209-N1212 VanDerWaalsContact O-CB 3.25Å; W1209-N1212 WeakPolarHBondContact O-CB 3.38Å; W1209-N1212 PolarHBondContact O-N 3.46Å; W1209-N1212 PolarHBondContact O-ND2 3.21Å; W1209-N1212 VanDerWaalsContact O-ND2 3.12Å; T1210-N1212 PolarHBondContact O-N 2.77Å; N1212-A1215 PolarHBondContact O-N 2.89Å; N1212-R1216 WeakPolarHBondContact O-CG 3.44Å |
| 1213 | L | 92.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 174.4 | -169.1 | 64.2 | 0 | 0 | 0 | 110.7 | I1192 L1195 T1210 P1211 A1215 R1216 L1232 L1235 | I1192-L1213 HydrophobicContact CG2-CD1 4.16Å; L1195-L1213 HydrophobicContact CB-CD1 4.16Å; L1195-L1213 HydrophobicContact CD1-CD1 4.38Å; T1210-L1213 WeakPolarHBondContact O-CB 3.32Å; T1210-L1213 PolarHBondContact O-N 3Å; P1211-L1213 VanDerWaalsContact C-N 3.31Å; P1211-L1213 PolarHBondContact O-N 3.45Å; L1213-A1215 VanDerWaalsContact C-N 3.3Å; L1213-A1215 PolarHBondContact O-N 3.08Å; L1213-R1216 WeakPolarHBondContact O-CB 3.41Å; L1213-R1216 PolarHBondContact O-N 3.26Å; L1213-R1216 VanDerWaalsContact O-N 3.15Å; L1213-L1232 HydrophobicContact CD2-CD2 3.65Å; L1213-L1232 HydrophobicContact CD2-CG 4.32Å; L1213-L1232 HydrophobicContact CG-CD2 3.93Å; L1213-L1232 HydrophobicContact CG-CG 4.31Å; L1213-L1235 HydrophobicContact CD2-CD1 4Å |
| 1214 | Y | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -37 | 172.9 | -77.8 | -81.3 | 0 | 0 | 0 | 112.6 | T1210 P1211 R1216 L1217 L1232 I1236 V1241 Q1246 E1249 M1250 | T1210-Y1214 HydrophobicContact CG2-CD2 3.88Å; T1210-Y1214 HydrophobicContact CG2-CE2 3.59Å; T1210-Y1214 WeakPolarHBondContact O-CD2 3.48Å; T1210-Y1214 PolarHBondContact O-N 2.95Å; T1210-Y1214 VanDerWaalsContact O-N 3.17Å; P1211-Y1214 PolarHBondContact O-N 2.96Å; Y1214-R1216 PolarHBondContact O-N 3.19Å; Y1214-L1217 HydrophobicContact CD1-CD1 4.05Å; Y1214-L1217 VanDerWaalsContact O-CB 3.28Å; Y1214-L1217 WeakPolarHBondContact O-CB 3.35Å; Y1214-L1217 WeakPolarHBondContact O-CG 3.33Å; Y1214-L1217 PolarHBondContact O-N 3.08Å; Y1214-L1232 HydrophobicContact CD1-CD1 3.75Å; Y1214-L1232 HydrophobicContact CD1-CD2 4.37Å; Y1214-L1232 HydrophobicContact CD2-CD2 4.39Å; Y1214-L1232 HydrophobicContact CE1-CD1 4.03Å; Y1214-L1232 HydrophobicContact CE1-CD2 4.13Å; Y1214-L1232 HydrophobicContact CE2-CD2 4.14Å; Y1214-L1232 HydrophobicContact CG-CD1 4.21Å; Y1214-I1236 WeakPolarHBondContact OH-CD1 3.46Å; Y1214-V1241 HydrophobicContact CE2-CG1 4.45Å; Y1214-Q1246 HydrophobicContact CD1-CB 3.91Å; Y1214-Q1246 HydrophobicContact CD2-CB 3.5Å; Y1214-Q1246 HydrophobicContact CD2-CG 4.09Å; Y1214-Q1246 VanDerWaalsContact CD2-OE1 3.27Å; Y1214-Q1246 HydrophobicContact CE1-CB 4Å; Y1214-Q1246 HydrophobicContact CE2-CB 3.6Å; Y1214-Q1246 HydrophobicContact CE2-CG 4.42Å; Y1214-Q1246 VanDerWaalsContact CE2-OE1 3.24Å; Y1214-Q1246 HydrophobicContact CG-CB 3.66Å; Y1214-Q1246 HydrophobicContact CG-CG 4.45Å; Y1214-E1249 HydrophobicContact CD1-CB 4.33Å; Y1214-M1250 HydrophobicContact CD1-CG 4.46Å; Y1214-M1250 HydrophobicContact CE1-CG 4.17Å; Y1214-M1250 HydrophobicContact CE1-SD 4.04Å |
| 1215 | A | 92.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -59.8 | -20.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1211 N1212 L1213 L1217 R1218 | P1211-A1215 PolarHBondContact O-N 3.45Å; N1212-A1215 PolarHBondContact O-N 2.89Å; L1213-A1215 VanDerWaalsContact C-N 3.3Å; L1213-A1215 PolarHBondContact O-N 3.08Å; A1215-L1217 PolarHBondContact O-N 3.35Å; A1215-R1218 PolarHBondContact O-N 3.3Å |
| 1216 | R | 94.5 | Very high | 93.2 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -73.9 | -13.1 | 176 | -59.1 | -67.3 | 96.2 | -169.1 | 9.2 | 113.5 | A1179 I1192 N1212 L1213 Y1214 R1218 D1219 A1228 | A1179-R1216 PolarHBondContact O-NH1 2.9Å; I1192-R1216 HydrophobicContact CD1-CB 3.96Å; I1192-R1216 HydrophobicContact CD1-CG 3.5Å; I1192-R1216 VanDerWaalsContact CD1-CG 3.5Å; I1192-R1216 HydrophobicContact CG1-CB 4.43Å; I1192-R1216 HydrophobicContact CG1-CG 4.46Å; N1212-R1216 WeakPolarHBondContact O-CG 3.44Å; L1213-R1216 WeakPolarHBondContact O-CB 3.41Å; L1213-R1216 PolarHBondContact O-N 3.26Å; L1213-R1216 VanDerWaalsContact O-N 3.15Å; Y1214-R1216 PolarHBondContact O-N 3.19Å; R1216-R1218 PolarHBondContact O-N 3.25Å; R1216-D1219 IonicContact NH1-OD2 3.24Å; R1216-D1219 PolarHBondContact NH1-OD2 3.24Å; R1216-D1219 WeakPolarHBondContact O-CB 3.33Å; R1216-D1219 PolarHBondContact O-N 2.64Å; R1216-D1219 VanDerWaalsContact O-N 3.15Å; R1216-A1228 HydrophobicContact CB-CB 4.03Å |
| 1217 | L | 94.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -66.5 | -14 | 167.4 | -64.4 | 168.2 | 0 | 0 | 0 | 112.5 | Y1214 A1215 R1225 A1228 L1229 L1232 E1249 M1250 | Y1214-L1217 HydrophobicContact CD1-CD1 4.05Å; Y1214-L1217 VanDerWaalsContact O-CB 3.28Å; Y1214-L1217 WeakPolarHBondContact O-CB 3.35Å; Y1214-L1217 WeakPolarHBondContact O-CG 3.33Å; Y1214-L1217 PolarHBondContact O-N 3.08Å; A1215-L1217 PolarHBondContact O-N 3.35Å; L1217-R1225 WeakPolarHBondContact O-CD 3.28Å; L1217-A1228 HydrophobicContact CD2-CB 3.96Å; L1217-A1228 HydrophobicContact CG-CB 4.4Å; L1217-L1229 HydrophobicContact CD2-CB 3.89Å; L1217-L1229 HydrophobicContact CD2-CD1 4.33Å; L1217-L1232 HydrophobicContact CD1-CD1 3.79Å; L1217-L1232 HydrophobicContact CD2-CD1 4.29Å; L1217-L1232 HydrophobicContact CG-CD1 4.02Å; L1217-E1249 HydrophobicContact CD1-CB 3.78Å; L1217-M1250 HydrophobicContact CD1-CB 4.42Å; L1217-M1250 HydrophobicContact CD1-CG 3.6Å |
| 1218 | R | 90.3 | Very high | 93.7 | Very high | 146 Ų | 146 | 43.1 Ų | 43.1 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -105.7 | 16.9 | 173 | -57.1 | -173.1 | -173.2 | -162.4 | 1.3 | 113.1 | A1215 R1216 E1249 | A1215-R1218 PolarHBondContact O-N 3.3Å; R1216-R1218 PolarHBondContact O-N 3.25Å; R1218-E1249 IonicContact CZ-OE1 2.64Å; R1218-E1249 IonicContact CZ-OE2 2.7Å; R1218-E1249 IonicContact NE-OE1 3.86Å; R1218-E1249 IonicContact NE-OE2 2.63Å; R1218-E1249 PolarHBondContact NE-OE2 3.05Å; R1218-E1249 VanDerWaalsContact NH2-CD 3.25Å; R1218-E1249 IonicContact NH2-OE1 3.62Å; R1218-E1249 PolarHBondContact NH2-OE1 3.1Å; R1218-E1249 IonicContact NH2-OE2 3.03Å; R1218-E1249 PolarHBondContact NH2-OE2 3.28Å |
| 1219 | D | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | trans | -63.6 | 149.1 | 177.1 | -161 | -82 | 0 | 0 | 0 | 110.9 | R1188 R1216 S1221 V1224 R1225 | R1188-D1219 IonicContact CZ-OD1 2.99Å; R1188-D1219 IonicContact NE-OD1 2.62Å; R1188-D1219 PolarHBondContact NE-OD1 2.95Å; R1188-D1219 IonicContact NE-OD2 3.16Å; R1188-D1219 PolarHBondContact NE-OD2 3Å; R1188-D1219 VanDerWaalsContact NE-OD2 3.15Å; R1188-D1219 IonicContact NH2-OD1 3.86Å; R1188-D1219 PolarHBondContact NH2-OD1 3.42Å; R1216-D1219 IonicContact NH1-OD2 3.24Å; R1216-D1219 PolarHBondContact NH1-OD2 3.24Å; R1216-D1219 WeakPolarHBondContact O-CB 3.33Å; R1216-D1219 PolarHBondContact O-N 2.64Å; R1216-D1219 VanDerWaalsContact O-N 3.15Å; D1219-S1221 VanDerWaalsContact C-N 3.26Å; D1219-S1221 PolarHBondContact O-N 3.43Å; D1219-S1221 PolarHBondContact OD1-N 3.12Å; D1219-V1224 HydrophobicContact CB-CB 3.88Å; D1219-V1224 HydrophobicContact CB-CG1 3.66Å; D1219-R1225 HydrophobicContact CB-CG 4.31Å; D1219-R1225 WeakPolarHBondContact O-CD 3.49Å; D1219-R1225 WeakPolarHBondContact O-CG 3.27Å; D1219-R1225 PolarHBondContact O-NH1 3.15Å | ||
| 1220 | T | 93.7 | Very high | 94 | Very high | 131 Ų | 131 | 38.4 Ų | 38.4 | 80% | 0.804 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -65.4 | -32.2 | 179 | 52.8 | 0 | 0 | 0 | 0 | 112 | R1225 | T1220-R1225 PolarHBondContact O-NH1 2.85Š|
| 1221 | S | 95 | Very high | 94.3 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -83.6 | 127.4 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | E1185 D1219 K1223 V1224 R1225 | E1185-S1221 WeakPolarHBondContact OE2-CB 3.34Å; E1185-S1221 PolarHBondContact OE2-OG 2.85Å; D1219-S1221 VanDerWaalsContact C-N 3.26Å; D1219-S1221 PolarHBondContact O-N 3.43Å; D1219-S1221 PolarHBondContact OD1-N 3.12Å; S1221-K1223 VanDerWaalsContact C-N 3.28Å; S1221-K1223 PolarHBondContact O-N 3.39Å; S1221-K1223 PolarHBondContact OG-N 3.49Å; S1221-V1224 PolarHBondContact O-N 3.22Å; S1221-R1225 PolarHBondContact O-N 3.06Å; S1221-R1225 VanDerWaalsContact O-N 3.15Å |
| 1222 | A | 93.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -49.2 | -48 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1224 R1225 T1226 I1258 | A1222-V1224 VanDerWaalsContact C-N 3.29Å; A1222-V1224 PolarHBondContact O-N 2.84Å; A1222-R1225 PolarHBondContact O-N 2.79Å; A1222-T1226 PolarHBondContact O-N 2.62Å; A1222-T1226 PolarHBondContact O-OG1 3.02Å; A1222-T1226 VanDerWaalsContact O-OG1 3.06Å; A1222-I1258 HydrophobicContact CB-CD1 3.07Å |
| 1223 | K | 94.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 33.1 Ų | 33.1 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.8 | -38.9 | -176.3 | -172.9 | 176.1 | -178.8 | 172.5 | 0 | 111.8 | A1189 S1221 N1227 | A1189-K1223 HydrophobicContact CB-CD 4.38Å; A1189-K1223 HydrophobicContact CB-CG 4.01Å; S1221-K1223 VanDerWaalsContact C-N 3.28Å; S1221-K1223 PolarHBondContact O-N 3.39Å; S1221-K1223 PolarHBondContact OG-N 3.49Å; K1223-N1227 PolarHBondContact O-N 3.37Å; K1223-N1227 VanDerWaalsContact O-N 3.07Å |
| 1224 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 176.9 | -178 | 0 | 0 | 0 | 0 | 110.5 | E1185 R1188 A1189 I1192 D1219 S1221 A1222 T1226 N1227 A1228 | E1185-V1224 HydrophobicContact CB-CG2 4.47Å; R1188-V1224 HydrophobicContact CB-CG1 4.3Å; R1188-V1224 HydrophobicContact CB-CG2 3.68Å; A1189-V1224 HydrophobicContact CB-CG2 4.03Å; I1192-V1224 HydrophobicContact CG1-CG1 3.95Å; D1219-V1224 HydrophobicContact CB-CB 3.88Å; D1219-V1224 HydrophobicContact CB-CG1 3.66Å; S1221-V1224 PolarHBondContact O-N 3.22Å; A1222-V1224 VanDerWaalsContact C-N 3.29Å; A1222-V1224 PolarHBondContact O-N 2.84Å; V1224-T1226 VanDerWaalsContact C-N 3.35Å; V1224-T1226 PolarHBondContact O-N 2.87Å; V1224-N1227 PolarHBondContact O-N 3.37Å; V1224-A1228 WeakPolarHBondContact O-CB 3.04Å; V1224-A1228 PolarHBondContact O-N 3.16Å |
| 1225 | R | 96.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 13% | 0.125 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.7 | -64.4 | -159.8 | -60.3 | -79.1 | 4.8 | 111.6 | L1217 D1219 T1220 S1221 A1222 N1227 A1228 L1229 D1256 L1261 | L1217-R1225 WeakPolarHBondContact O-CD 3.28Å; D1219-R1225 HydrophobicContact CB-CG 4.31Å; D1219-R1225 WeakPolarHBondContact O-CD 3.49Å; D1219-R1225 WeakPolarHBondContact O-CG 3.27Å; D1219-R1225 PolarHBondContact O-NH1 3.15Å; T1220-R1225 PolarHBondContact O-NH1 2.85Å; S1221-R1225 PolarHBondContact O-N 3.06Å; S1221-R1225 VanDerWaalsContact O-N 3.15Å; A1222-R1225 PolarHBondContact O-N 2.79Å; R1225-N1227 PolarHBondContact O-N 2.99Å; R1225-A1228 PolarHBondContact O-N 2.84Å; R1225-L1229 WeakPolarHBondContact O-CB 3.46Å; R1225-L1229 PolarHBondContact O-N 3.38Å; R1225-D1256 IonicContact CZ-OD1 3.85Å; R1225-D1256 IonicContact CZ-OD2 3.39Å; R1225-D1256 IonicContact NE-OD1 3Å; R1225-D1256 IonicContact NE-OD2 3.35Å; R1225-D1256 PolarHBondContact NE-OD2 3.06Å; R1225-D1256 IonicContact NH2-OD1 3.91Å; R1225-D1256 PolarHBondContact NH2-OD1 3.43Å; R1225-D1256 IonicContact NH2-OD2 2.71Å; R1225-D1256 PolarHBondContact NH2-OD2 3.35Å; R1225-L1261 HydrophobicContact CB-CD1 3.76Å; R1225-L1261 HydrophobicContact CB-CD2 4.2Å |
| 1226 | T | 95.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | A1222 V1224 A1228 L1229 N1230 L1264 | A1222-T1226 PolarHBondContact O-N 2.62Å; A1222-T1226 PolarHBondContact O-OG1 3.02Å; A1222-T1226 VanDerWaalsContact O-OG1 3.06Å; V1224-T1226 VanDerWaalsContact C-N 3.35Å; V1224-T1226 PolarHBondContact O-N 2.87Å; T1226-A1228 VanDerWaalsContact C-N 3.34Å; T1226-A1228 PolarHBondContact O-N 3.04Å; T1226-L1229 PolarHBondContact O-N 2.86Å; T1226-N1230 WeakPolarHBondContact O-CB 3.2Å; T1226-N1230 PolarHBondContact O-N 3.47Å; T1226-N1230 PolarHBondContact O-ND2 2.7Å; T1226-L1264 HydrophobicContact CG2-CD1 3.81Å |
| 1227 | N | 95.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.7 | -78.3 | 11.8 | 0 | 0 | 0 | 112.4 | A1189 I1192 V1193 K1223 V1224 R1225 T1231 | A1189-N1227 PolarHBondContact O-ND2 3.19Å; I1192-N1227 HydrophobicContact CB-CB 4.47Å; I1192-N1227 HydrophobicContact CG2-CB 4.47Å; V1193-N1227 HydrophobicContact CG2-CB 4.19Å; K1223-N1227 PolarHBondContact O-N 3.37Å; K1223-N1227 VanDerWaalsContact O-N 3.07Å; V1224-N1227 PolarHBondContact O-N 3.37Å; R1225-N1227 PolarHBondContact O-N 2.99Å; N1227-T1231 WeakPolarHBondContact O-CB 3.3Å; N1227-T1231 PolarHBondContact O-N 3.24Å; N1227-T1231 PolarHBondContact O-OG1 3.47Å |
| 1228 | A | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1192 R1216 L1217 V1224 R1225 T1226 T1231 L1232 | I1192-A1228 VanDerWaalsContact CG2-CA 3.42Å; I1192-A1228 HydrophobicContact CG2-CB 3.87Å; R1216-A1228 HydrophobicContact CB-CB 4.03Å; L1217-A1228 HydrophobicContact CD2-CB 3.96Å; L1217-A1228 HydrophobicContact CG-CB 4.4Å; V1224-A1228 WeakPolarHBondContact O-CB 3.04Å; V1224-A1228 PolarHBondContact O-N 3.16Å; R1225-A1228 PolarHBondContact O-N 2.84Å; T1226-A1228 VanDerWaalsContact C-N 3.34Å; T1226-A1228 PolarHBondContact O-N 3.04Å; A1228-T1231 PolarHBondContact O-N 3.29Å; A1228-L1232 VanDerWaalsContact O-CB 3.31Å; A1228-L1232 WeakPolarHBondContact O-CB 3.49Å; A1228-L1232 WeakPolarHBondContact O-CG 3.21Å; A1228-L1232 PolarHBondContact O-N 2.88Å |
| 1229 | L | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -51.7 | 176.5 | -176.4 | 61.5 | 0 | 0 | 0 | 110.5 | L1217 R1225 T1226 T1231 L1232 S1233 M1250 C1253 L1261 L1264 A1265 | L1217-L1229 HydrophobicContact CD2-CB 3.89Å; L1217-L1229 HydrophobicContact CD2-CD1 4.33Å; R1225-L1229 WeakPolarHBondContact O-CB 3.46Å; R1225-L1229 PolarHBondContact O-N 3.38Å; T1226-L1229 PolarHBondContact O-N 2.86Å; L1229-T1231 PolarHBondContact O-N 3.28Å; L1229-L1232 PolarHBondContact O-N 2.89Å; L1229-S1233 VanDerWaalsContact O-CB 3.3Å; L1229-S1233 WeakPolarHBondContact O-CB 3.47Å; L1229-S1233 PolarHBondContact O-N 3.03Å; L1229-S1233 PolarHBondContact O-OG 3Å; L1229-M1250 HydrophobicContact CD1-CB 4.4Å; L1229-M1250 HydrophobicContact CD1-CE 3.66Å; L1229-M1250 HydrophobicContact CD1-CG 4.39Å; L1229-C1253 HydrophobicContact CD2-CB 4.13Å; L1229-L1261 HydrophobicContact CB-CD2 4.32Å; L1229-L1261 HydrophobicContact CD2-CD2 3.83Å; L1229-L1264 HydrophobicContact CD2-CB 3.75Å; L1229-A1265 HydrophobicContact CD2-CB 4.03Å |
| 1230 | N | 94.7 | Very high | 93.2 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 178.6 | -79.3 | -22.7 | 0 | 0 | 0 | 112.6 | T1226 S1233 H1234 | T1226-N1230 WeakPolarHBondContact O-CB 3.2Å; T1226-N1230 PolarHBondContact O-N 3.47Å; T1226-N1230 PolarHBondContact O-ND2 2.7Å; N1230-S1233 PolarHBondContact O-N 3.25Å; N1230-H1234 PolarHBondContact O-CD2 3.31Å; N1230-H1234 PolarHBondContact O-N 3.11Å |
| 1231 | T | 95.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | -178.9 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | G1196 N1227 A1228 L1229 H1234 L1235 | G1196-T1231 VanDerWaalsContact CA-CG2 3.42Å; N1227-T1231 WeakPolarHBondContact O-CB 3.3Å; N1227-T1231 PolarHBondContact O-N 3.24Å; N1227-T1231 PolarHBondContact O-OG1 3.47Å; A1228-T1231 PolarHBondContact O-N 3.29Å; L1229-T1231 PolarHBondContact O-N 3.28Å; T1231-H1234 PolarHBondContact O-N 3.4Å; T1231-L1235 HydrophobicContact CG2-CD1 4.08Å; T1231-L1235 VanDerWaalsContact O-CG 3.28Å; T1231-L1235 WeakPolarHBondContact O-CG 3.45Å; T1231-L1235 PolarHBondContact O-N 2.98Å |
| 1232 | L | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.5 | -74.3 | 167.1 | 0 | 0 | 0 | 111.8 | L1213 Y1214 L1217 A1228 L1229 H1234 L1235 I1236 M1250 | L1213-L1232 HydrophobicContact CD2-CD2 3.65Å; L1213-L1232 HydrophobicContact CD2-CG 4.32Å; L1213-L1232 HydrophobicContact CG-CD2 3.93Å; L1213-L1232 HydrophobicContact CG-CG 4.31Å; Y1214-L1232 HydrophobicContact CD1-CD1 3.75Å; Y1214-L1232 HydrophobicContact CD1-CD2 4.37Å; Y1214-L1232 HydrophobicContact CD2-CD2 4.39Å; Y1214-L1232 HydrophobicContact CE1-CD1 4.03Å; Y1214-L1232 HydrophobicContact CE1-CD2 4.13Å; Y1214-L1232 HydrophobicContact CE2-CD2 4.14Å; Y1214-L1232 HydrophobicContact CG-CD1 4.21Å; L1217-L1232 HydrophobicContact CD1-CD1 3.79Å; L1217-L1232 HydrophobicContact CD2-CD1 4.29Å; L1217-L1232 HydrophobicContact CG-CD1 4.02Å; A1228-L1232 VanDerWaalsContact O-CB 3.31Å; A1228-L1232 WeakPolarHBondContact O-CB 3.49Å; A1228-L1232 WeakPolarHBondContact O-CG 3.21Å; A1228-L1232 PolarHBondContact O-N 2.88Å; L1229-L1232 PolarHBondContact O-N 2.89Å; L1232-H1234 VanDerWaalsContact C-N 3.35Å; L1232-H1234 PolarHBondContact O-N 3.39Å; L1232-L1235 PolarHBondContact O-N 3.5Å; L1232-L1235 VanDerWaalsContact O-N 3.16Å; L1232-I1236 HydrophobicContact CB-CD1 4.49Å; L1232-I1236 WeakPolarHBondContact O-CB 3.46Å; L1232-I1236 VanDerWaalsContact O-CG1 3.28Å; L1232-I1236 WeakPolarHBondContact O-CG1 3.48Å; L1232-I1236 PolarHBondContact O-N 2.95Å; L1232-M1250 HydrophobicContact CB-CE 4.04Å; L1232-M1250 HydrophobicContact CB-SD 4.23Å |
| 1233 | S | 93.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.6 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | L1229 N1230 L1235 I1236 L1237 F1268 | L1229-S1233 VanDerWaalsContact O-CB 3.3Å; L1229-S1233 WeakPolarHBondContact O-CB 3.47Å; L1229-S1233 PolarHBondContact O-N 3.03Å; L1229-S1233 PolarHBondContact O-OG 3Å; N1230-S1233 PolarHBondContact O-N 3.25Å; S1233-L1235 PolarHBondContact O-N 3.36Å; S1233-I1236 PolarHBondContact O-N 3.08Å; S1233-L1237 VanDerWaalsContact O-CB 3.24Å; S1233-L1237 WeakPolarHBondContact O-CB 3.43Å; S1233-L1237 WeakPolarHBondContact O-CG 3.29Å; S1233-L1237 PolarHBondContact O-N 3.12Å; S1233-F1268 VanDerWaalsContact OG-CD2 3.28Å; S1233-F1268 WeakPolarHBondContact OG-CD2 3.36Å; S1233-F1268 WeakPolarHBondContact OG-CG 3.44Å |
| 1234 | H | 91.5 | Very high | 90.1 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 177.7 | -72.1 | -60.3 | 0 | 0 | 0 | 113.8 | N1230 T1231 L1232 N1238 | N1230-H1234 PolarHBondContact O-CD2 3.31Å; N1230-H1234 PolarHBondContact O-N 3.11Å; T1231-H1234 PolarHBondContact O-N 3.4Å; L1232-H1234 VanDerWaalsContact C-N 3.35Å; L1232-H1234 PolarHBondContact O-N 3.39Å; H1234-N1238 WeakPolarHBondContact O-CB 3.41Å; H1234-N1238 PolarHBondContact O-N 3.36Å; H1234-N1238 PolarHBondContact O-ND2 3.29Å |
| 1235 | L | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -42.3 | 178 | -71 | 172.3 | 0 | 0 | 0 | 112 | C1199 R1200 L1213 T1231 L1232 S1233 D1239 M1240 V1241 | C1199-L1235 HydrophobicContact CB-CD1 3.99Å; C1199-L1235 HydrophobicContact CB-CD2 4Å; R1200-L1235 HydrophobicContact CG-CD2 3.62Å; L1213-L1235 HydrophobicContact CD2-CD1 4Å; T1231-L1235 HydrophobicContact CG2-CD1 4.08Å; T1231-L1235 VanDerWaalsContact O-CG 3.28Å; T1231-L1235 WeakPolarHBondContact O-CG 3.45Å; T1231-L1235 PolarHBondContact O-N 2.98Å; L1232-L1235 PolarHBondContact O-N 3.5Å; L1232-L1235 VanDerWaalsContact O-N 3.16Å; S1233-L1235 PolarHBondContact O-N 3.36Å; L1235-D1239 PolarHBondContact O-N 2.85Å; L1235-M1240 HydrophobicContact CD2-CB 4.01Å; L1235-M1240 PolarHBondContact O-N 3.09Å; L1235-V1241 HydrophobicContact CB-CB 4.26Å; L1235-V1241 HydrophobicContact CB-CG2 3.85Å; L1235-V1241 HydrophobicContact CD1-CG2 4.07Å; L1235-V1241 HydrophobicContact CG-CG2 4.46Å; L1235-V1241 PolarHBondContact O-N 2.96Å |
| 1236 | I | 91.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -49 | 179.2 | -69.9 | 165.1 | 0 | 0 | 0 | 110.2 | Y1214 L1232 S1233 N1238 D1239 V1241 V1243 M1250 F1268 L1272 | Y1214-I1236 WeakPolarHBondContact OH-CD1 3.46Å; L1232-I1236 HydrophobicContact CB-CD1 4.49Å; L1232-I1236 WeakPolarHBondContact O-CB 3.46Å; L1232-I1236 VanDerWaalsContact O-CG1 3.28Å; L1232-I1236 WeakPolarHBondContact O-CG1 3.48Å; L1232-I1236 PolarHBondContact O-N 2.95Å; S1233-I1236 PolarHBondContact O-N 3.08Å; I1236-N1238 PolarHBondContact O-N 2.81Å; I1236-D1239 PolarHBondContact O-N 3.49Å; I1236-V1241 HydrophobicContact CG1-CB 4.43Å; I1236-V1243 HydrophobicContact CG2-CG2 3.51Å; I1236-M1250 HydrophobicContact CD1-CE 4.13Å; I1236-M1250 HydrophobicContact CD1-SD 3.39Å; I1236-M1250 WeakPolarHBondContact CD1-SD 3.37Å; I1236-F1268 HydrophobicContact CB-CE2 4.14Å; I1236-F1268 HydrophobicContact CB-CZ 4.36Å; I1236-F1268 HydrophobicContact CD1-CE2 4.34Å; I1236-F1268 HydrophobicContact CD1-CZ 3.92Å; I1236-F1268 HydrophobicContact CG2-CE2 3.95Å; I1236-F1268 HydrophobicContact CG2-CZ 3.95Å; I1236-L1272 HydrophobicContact CG2-CD1 4.28Å |
| 1237 | L | 89.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -23.9 | -179.4 | -68 | 172.4 | 0 | 0 | 0 | 111.8 | S1233 F1268 E1271 L1272 K1275 | S1233-L1237 VanDerWaalsContact O-CB 3.24Å; S1233-L1237 WeakPolarHBondContact O-CB 3.43Å; S1233-L1237 WeakPolarHBondContact O-CG 3.29Å; S1233-L1237 PolarHBondContact O-N 3.12Å; L1237-F1268 HydrophobicContact CD1-CD2 4.22Å; L1237-F1268 HydrophobicContact CD2-CE2 4.36Å; L1237-F1268 HydrophobicContact CG-CD2 4.19Å; L1237-F1268 HydrophobicContact CG-CE2 4.13Å; L1237-E1271 HydrophobicContact CD1-CB 4.18Å; L1237-E1271 VanDerWaalsContact CD1-OE2 3.22Å; L1237-E1271 WeakPolarHBondContact CD1-OE2 3.41Å; L1237-E1271 HydrophobicContact CD2-CB 4.23Å; L1237-L1272 HydrophobicContact CD2-CB 4.47Å; L1237-L1272 HydrophobicContact CD2-CD1 4.36Å; L1237-K1275 HydrophobicContact CD2-CD 4.15Å; L1237-K1275 WeakPolarHBondContact O-CE 3.33Å; L1237-K1275 PolarHBondContact O-NZ 3.2Å |
| 1238 | N | 87.1 | Confident | 87.4 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 21.2 | 174.5 | -63.3 | -57.2 | 0 | 0 | 0 | 113.4 | H1234 I1236 M1240 | H1234-N1238 WeakPolarHBondContact O-CB 3.41Å; H1234-N1238 PolarHBondContact O-N 3.36Å; H1234-N1238 PolarHBondContact O-ND2 3.29Å; I1236-N1238 PolarHBondContact O-N 2.81Å; N1238-M1240 HydrophobicContact CB-CG 4.47Å; N1238-M1240 PolarHBondContact O-N 3.27Å |
| 1239 | D | 86.7 | Confident | 87 | Confident | 134 Ų | 134 | 44.6 Ų | 44.6 | 72% | 0.717 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 18.9 | 175.8 | -61.4 | -51 | 0 | 0 | 0 | 115.5 | L1235 I1236 | L1235-D1239 PolarHBondContact O-N 2.85Å; I1236-D1239 PolarHBondContact O-N 3.49Å |
| 1240 | M | 84.2 | Confident | 86.9 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -79.4 | -27.3 | 177.8 | -62.1 | -54 | -65.8 | 0 | 0 | 112.3 | R1200 L1235 N1238 | R1200-M1240 HydrophobicContact CB-CE 4.28Å; R1200-M1240 HydrophobicContact CG-CG 4.27Å; R1200-M1240 VanDerWaalsContact O-CE 3.28Å; R1200-M1240 WeakPolarHBondContact O-CE 3.39Å; L1235-M1240 HydrophobicContact CD2-CB 4.01Å; L1235-M1240 PolarHBondContact O-N 3.09Å; N1238-M1240 HydrophobicContact CB-CG 4.47Å; N1238-M1240 PolarHBondContact O-N 3.27Å |
| 1241 | V | 85.3 | Confident | 86.8 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.1 | 115.6 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 108 | C1199 T1210 Y1214 L1235 I1236 V1243 | C1199-V1241 VanDerWaalsContact SG-CG2 3.51Å; T1210-V1241 HydrophobicContact CG2-CG1 3.94Å; Y1214-V1241 HydrophobicContact CE2-CG1 4.45Å; L1235-V1241 HydrophobicContact CB-CB 4.26Å; L1235-V1241 HydrophobicContact CB-CG2 3.85Å; L1235-V1241 HydrophobicContact CD1-CG2 4.07Å; L1235-V1241 HydrophobicContact CG-CG2 4.46Å; L1235-V1241 PolarHBondContact O-N 2.96Å; I1236-V1241 HydrophobicContact CG1-CB 4.43Å; V1241-V1243 PolarHBondContact O-N 2.98Å |
| 1242 | K | 81.1 | Confident | 86.6 | Confident | 168 Ų | 168 | 43.6 Ų | 43.6 | 73% | 0.73 | 23% | 0.225 | S | C | * | . | trans | -61.7 | 132.2 | 175.6 | -73.9 | -173.8 | 178.3 | 179.8 | 0 | 110.2 | K1244 | K1242-K1244 PolarHBondContact O-N 3.26Š| ||
| 1243 | V | 70.8 | Confident | 86.5 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 30% | 0.297 | 23% | 0.226 | S | C | . | . | trans | -69 | 103.8 | 176.7 | -163.6 | 0 | 0 | 0 | 0 | 109.3 | I1236 V1241 I1247 V1282 | I1236-V1243 HydrophobicContact CG2-CG2 3.51Å; V1241-V1243 PolarHBondContact O-N 2.98Å; V1243-I1247 HydrophobicContact CG1-CB 3.84Å; V1243-I1247 HydrophobicContact CG1-CD1 3.36Å; V1243-I1247 HydrophobicContact CG1-CG1 4.16Å; V1243-I1247 HydrophobicContact CG1-CG2 3.92Å; V1243-V1282 HydrophobicContact CB-CG1 4.16Å; V1243-V1282 HydrophobicContact CG1-CB 4.48Å; V1243-V1282 HydrophobicContact CG1-CG1 3.45Å; V1243-V1282 VanDerWaalsContact CG1-CG1 3.45Å | ||
| 1244 | K | 73.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 43.2 Ų | 43.2 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | trans | -109.4 | -168.8 | 178.4 | -69.9 | -178.8 | -174.3 | 171.5 | 0 | 109.6 | E1207 K1242 Q1246 I1247 | E1207-K1244 IonicContact OE1-NZ 2.67Å; E1207-K1244 PolarHBondContact OE1-NZ 3.47Å; K1242-K1244 PolarHBondContact O-N 3.26Å; K1244-Q1246 PolarHBondContact O-N 3.02Å; K1244-I1247 PolarHBondContact O-N 3.08Å | ||
| 1245 | G | 72.6 | Confident | 86.5 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 9.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1289 | G1245-R1289 VanDerWaalsContact C-NH2 3.35Å; G1245-R1289 WeakPolarHBondContact O-CD 3.42Å; G1245-R1289 PolarHBondContact O-NE 3.14Å; G1245-R1289 PolarHBondContact O-NH1 3.15Å; G1245-R1289 VanDerWaalsContact O-NH1 3.08Å; G1245-R1289 PolarHBondContact O-NH2 3.43Å |
| 1246 | Q | 82.5 | Confident | 86.4 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -12.3 | 179.4 | -70.2 | 156.6 | -13.5 | 0 | 0 | 112.4 | P1211 Y1214 K1244 S1248 E1249 | P1211-Q1246 VanDerWaalsContact CG-NE2 3.27Å; Y1214-Q1246 HydrophobicContact CD1-CB 3.91Å; Y1214-Q1246 HydrophobicContact CD2-CB 3.5Å; Y1214-Q1246 HydrophobicContact CD2-CG 4.09Å; Y1214-Q1246 VanDerWaalsContact CD2-OE1 3.27Å; Y1214-Q1246 HydrophobicContact CE1-CB 4Å; Y1214-Q1246 HydrophobicContact CE2-CB 3.6Å; Y1214-Q1246 HydrophobicContact CE2-CG 4.42Å; Y1214-Q1246 VanDerWaalsContact CE2-OE1 3.24Å; Y1214-Q1246 HydrophobicContact CG-CB 3.66Å; Y1214-Q1246 HydrophobicContact CG-CG 4.45Å; K1244-Q1246 PolarHBondContact O-N 3.02Å; Q1246-S1248 PolarHBondContact O-N 3.33Å; Q1246-E1249 WeakPolarHBondContact O-CB 3.03Å; Q1246-E1249 WeakPolarHBondContact O-CG 3.33Å; Q1246-E1249 PolarHBondContact O-N 2.88Å |
| 1247 | I | 86.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.3 | -179.5 | -165.5 | 164 | 0 | 0 | 0 | 113.9 | V1243 K1244 E1249 M1250 T1251 F1268 F1269 L1272 V1282 I1286 | V1243-I1247 HydrophobicContact CG1-CB 3.84Å; V1243-I1247 HydrophobicContact CG1-CD1 3.36Å; V1243-I1247 HydrophobicContact CG1-CG1 4.16Å; V1243-I1247 HydrophobicContact CG1-CG2 3.92Å; K1244-I1247 PolarHBondContact O-N 3.08Å; I1247-E1249 PolarHBondContact O-N 3.06Å; I1247-M1250 HydrophobicContact CG1-SD 4.28Å; I1247-M1250 WeakPolarHBondContact O-CB 3.48Å; I1247-M1250 PolarHBondContact O-N 2.91Å; I1247-M1250 VanDerWaalsContact O-N 3.12Å; I1247-T1251 PolarHBondContact O-N 2.92Å; I1247-F1268 HydrophobicContact CD1-CE1 4.01Å; I1247-F1268 HydrophobicContact CD1-CZ 4.02Å; I1247-F1268 HydrophobicContact CG1-CE1 4.4Å; I1247-F1269 HydrophobicContact CD1-CE1 4.07Å; I1247-F1269 HydrophobicContact CG1-CE1 4.11Å; I1247-F1269 HydrophobicContact CG1-CZ 4.23Å; I1247-L1272 HydrophobicContact CD1-CD2 3.68Å; I1247-V1282 HydrophobicContact CD1-CG2 4.44Å; I1247-V1282 HydrophobicContact CG2-CB 3.91Å; I1247-V1282 HydrophobicContact CG2-CG1 4.24Å; I1247-V1282 HydrophobicContact CG2-CG2 4.31Å; I1247-I1286 HydrophobicContact CG2-CD1 4.32Å; I1247-I1286 HydrophobicContact CG2-CG1 4.15Å |
| 1248 | S | 87.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -30.9 | 169.7 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | Q1246 M1250 T1251 V1252 R1289 | Q1246-S1248 PolarHBondContact O-N 3.33Å; S1248-M1250 PolarHBondContact O-N 3.1Å; S1248-T1251 WeakPolarHBondContact CA-OG1 3.19Å; S1248-T1251 PolarHBondContact O-N 3.47Å; S1248-T1251 PolarHBondContact O-OG1 3.07Å; S1248-V1252 PolarHBondContact O-N 3.38Å; S1248-R1289 WeakPolarHBondContact OG-CD 3.41Å; S1248-R1289 PolarHBondContact OG-NH1 3.36Å |
| 1249 | E | 88.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -33.7 | 179.3 | -60.6 | -57.8 | 142.7 | 0 | 0 | 110.4 | Y1214 L1217 R1218 Q1246 I1247 | Y1214-E1249 HydrophobicContact CD1-CB 4.33Å; L1217-E1249 HydrophobicContact CD1-CB 3.78Å; R1218-E1249 IonicContact CZ-OE1 2.64Å; R1218-E1249 IonicContact CZ-OE2 2.7Å; R1218-E1249 IonicContact NE-OE1 3.86Å; R1218-E1249 IonicContact NE-OE2 2.63Å; R1218-E1249 PolarHBondContact NE-OE2 3.05Å; R1218-E1249 VanDerWaalsContact NH2-CD 3.25Å; R1218-E1249 IonicContact NH2-OE1 3.62Å; R1218-E1249 PolarHBondContact NH2-OE1 3.1Å; R1218-E1249 IonicContact NH2-OE2 3.03Å; R1218-E1249 PolarHBondContact NH2-OE2 3.28Å; Q1246-E1249 WeakPolarHBondContact O-CB 3.03Å; Q1246-E1249 WeakPolarHBondContact O-CG 3.33Å; Q1246-E1249 PolarHBondContact O-N 2.88Å; I1247-E1249 PolarHBondContact O-N 3.06Å |
| 1250 | M | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.1 | -31.9 | 174.5 | -61.7 | 179 | 79.2 | 0 | 0 | 112.4 | Y1214 L1217 L1229 L1232 I1236 I1247 S1248 V1252 C1253 F1268 F1269 | Y1214-M1250 HydrophobicContact CD1-CG 4.46Å; Y1214-M1250 HydrophobicContact CE1-CG 4.17Å; Y1214-M1250 HydrophobicContact CE1-SD 4.04Å; L1217-M1250 HydrophobicContact CD1-CB 4.42Å; L1217-M1250 HydrophobicContact CD1-CG 3.6Å; L1229-M1250 HydrophobicContact CD1-CB 4.4Å; L1229-M1250 HydrophobicContact CD1-CE 3.66Å; L1229-M1250 HydrophobicContact CD1-CG 4.39Å; L1232-M1250 HydrophobicContact CB-CE 4.04Å; L1232-M1250 HydrophobicContact CB-SD 4.23Å; I1236-M1250 HydrophobicContact CD1-CE 4.13Å; I1236-M1250 HydrophobicContact CD1-SD 3.39Å; I1236-M1250 WeakPolarHBondContact CD1-SD 3.37Å; I1247-M1250 HydrophobicContact CG1-SD 4.28Å; I1247-M1250 WeakPolarHBondContact O-CB 3.48Å; I1247-M1250 PolarHBondContact O-N 2.91Å; I1247-M1250 VanDerWaalsContact O-N 3.12Å; S1248-M1250 PolarHBondContact O-N 3.1Å; M1250-V1252 VanDerWaalsContact C-N 3.27Å; M1250-V1252 PolarHBondContact O-N 2.8Å; M1250-C1253 WeakPolarHBondContact O-CB 3.24Å; M1250-C1253 PolarHBondContact O-N 3.17Å; M1250-C1253 VanDerWaalsContact O-N 3.15Å; M1250-F1268 HydrophobicContact CE-CD1 3.61Å; M1250-F1268 HydrophobicContact CE-CD2 4.07Å; M1250-F1268 HydrophobicContact CE-CE1 3.43Å; M1250-F1268 VanDerWaalsContact CE-CE1 3.43Å; M1250-F1268 HydrophobicContact CE-CE2 3.91Å; M1250-F1268 HydrophobicContact CE-CG 3.91Å; M1250-F1268 HydrophobicContact CE-CZ 3.58Å; M1250-F1268 HydrophobicContact SD-CD1 4.47Å; M1250-F1268 HydrophobicContact SD-CE1 3.77Å; M1250-F1268 HydrophobicContact SD-CZ 3.88Å; M1250-F1269 HydrophobicContact CB-CE2 4.3Å; M1250-F1269 HydrophobicContact CB-CZ 4.04Å |
| 1251 | T | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -28.4 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | I1247 S1248 C1253 L1254 F1269 I1286 I1305 L1309 | I1247-T1251 PolarHBondContact O-N 2.92Å; S1248-T1251 WeakPolarHBondContact CA-OG1 3.19Å; S1248-T1251 PolarHBondContact O-N 3.47Å; S1248-T1251 PolarHBondContact O-OG1 3.07Å; T1251-C1253 PolarHBondContact O-N 2.76Å; T1251-L1254 VanDerWaalsContact O-CB 3.29Å; T1251-L1254 WeakPolarHBondContact O-CB 3.38Å; T1251-L1254 PolarHBondContact O-N 3.1Å; T1251-L1254 VanDerWaalsContact O-N 3.1Å; T1251-F1269 HydrophobicContact CG2-CE1 3.91Å; T1251-F1269 HydrophobicContact CG2-CE2 3.85Å; T1251-F1269 HydrophobicContact CG2-CZ 3.29Å; T1251-I1286 HydrophobicContact CG2-CD1 3.83Å; T1251-I1286 HydrophobicContact CG2-CG1 4.16Å; T1251-I1286 HydrophobicContact CG2-CG2 4.03Å; T1251-I1305 HydrophobicContact CG2-CG2 4.48Å; T1251-I1305 WeakPolarHBondContact O-CD1 3.42Å; T1251-L1309 HydrophobicContact CG2-CD1 3.73Å |
| 1252 | V | 91.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | S1248 M1250 L1254 V1255 D1256 L1290 V1297 | S1248-V1252 PolarHBondContact O-N 3.38Å; M1250-V1252 VanDerWaalsContact C-N 3.27Å; M1250-V1252 PolarHBondContact O-N 2.8Å; V1252-L1254 PolarHBondContact O-N 3.09Å; V1252-V1255 WeakPolarHBondContact O-CG2 3.36Å; V1252-V1255 PolarHBondContact O-N 2.76Å; V1252-V1255 VanDerWaalsContact O-N 3.16Å; V1252-D1256 PolarHBondContact O-N 3.33Å; V1252-L1290 HydrophobicContact CG2-CD2 4.23Å; V1252-V1297 HydrophobicContact CG2-CG1 4.03Å |
| 1253 | C | 93.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -68.3 | -15.5 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | L1229 M1250 T1251 V1255 D1256 N1262 A1265 | L1229-C1253 HydrophobicContact CD2-CB 4.13Å; M1250-C1253 WeakPolarHBondContact O-CB 3.24Å; M1250-C1253 PolarHBondContact O-N 3.17Å; M1250-C1253 VanDerWaalsContact O-N 3.15Å; T1251-C1253 PolarHBondContact O-N 2.76Å; C1253-V1255 PolarHBondContact O-N 2.96Å; C1253-D1256 PolarHBondContact O-N 2.9Å; C1253-N1262 WeakPolarHBondContact O-CA 3.49Å; C1253-A1265 HydrophobicContact CB-CB 3.82Å |
| 1254 | L | 93.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -68.9 | -14.9 | 172.5 | -65.6 | 166.7 | 0 | 0 | 0 | 112.9 | T1251 V1252 N1262 A1265 R1266 F1269 I1305 F1308 L1309 | T1251-L1254 VanDerWaalsContact O-CB 3.29Å; T1251-L1254 WeakPolarHBondContact O-CB 3.38Å; T1251-L1254 PolarHBondContact O-N 3.1Å; T1251-L1254 VanDerWaalsContact O-N 3.1Å; V1252-L1254 PolarHBondContact O-N 3.09Å; L1254-N1262 VanDerWaalsContact O-CG 3.25Å; L1254-N1262 PolarHBondContact O-ND2 3.19Å; L1254-N1262 PolarHBondContact O-OD1 2.97Å; L1254-A1265 HydrophobicContact CD2-CB 3.79Å; L1254-A1265 HydrophobicContact CG-CB 4.11Å; L1254-R1266 HydrophobicContact CD2-CB 4.29Å; L1254-R1266 HydrophobicContact CD2-CG 3.55Å; L1254-F1269 HydrophobicContact CD1-CD2 4.09Å; L1254-F1269 HydrophobicContact CD1-CE2 4.22Å; L1254-F1269 HydrophobicContact CD2-CD2 4.28Å; L1254-F1269 HydrophobicContact CG-CD2 4.34Å; L1254-F1269 HydrophobicContact CG-CE2 4.45Å; L1254-I1305 HydrophobicContact CB-CG1 4.23Å; L1254-I1305 HydrophobicContact CD1-CG1 4.45Å; L1254-I1305 HydrophobicContact CD1-CG2 4.09Å; L1254-F1308 HydrophobicContact CD1-CD1 3.84Å; L1254-F1308 HydrophobicContact CD1-CE1 4.4Å; L1254-F1308 HydrophobicContact CD2-CD1 3.78Å; L1254-F1308 HydrophobicContact CD2-CE1 3.77Å; L1254-F1308 HydrophobicContact CG-CD1 4.47Å; L1254-L1309 HydrophobicContact CD1-CD1 4.44Å; L1254-L1309 HydrophobicContact CD1-CD2 4.16Å; L1254-L1309 HydrophobicContact CD1-CG 4.17Å |
| 1255 | V | 91 | Very high | 89.4 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -124.8 | 23.9 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | V1252 C1253 H1301 I1305 | V1252-V1255 WeakPolarHBondContact O-CG2 3.36Å; V1252-V1255 PolarHBondContact O-N 2.76Å; V1252-V1255 VanDerWaalsContact O-N 3.16Å; C1253-V1255 PolarHBondContact O-N 2.96Å; V1255-H1301 HydrophobicContact CG1-CB 4.36Å; V1255-H1301 HydrophobicContact CG2-CB 4.11Å; V1255-I1305 HydrophobicContact CG1-CD1 4.46Å; V1255-I1305 HydrophobicContact CG1-CG1 3.94Å; V1255-I1305 HydrophobicContact CG2-CD1 4.08Å; V1255-I1305 HydrophobicContact CG2-CG1 4.41Å |
| 1256 | D | 91.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | trans | -65.9 | 150.1 | 173.4 | -158.1 | -67.1 | 0 | 0 | 0 | 109.7 | R1225 V1252 C1253 I1258 L1261 | R1225-D1256 IonicContact CZ-OD1 3.85Å; R1225-D1256 IonicContact CZ-OD2 3.39Å; R1225-D1256 IonicContact NE-OD1 3Å; R1225-D1256 IonicContact NE-OD2 3.35Å; R1225-D1256 PolarHBondContact NE-OD2 3.06Å; R1225-D1256 IonicContact NH2-OD1 3.91Å; R1225-D1256 PolarHBondContact NH2-OD1 3.43Å; R1225-D1256 IonicContact NH2-OD2 2.71Å; R1225-D1256 PolarHBondContact NH2-OD2 3.35Å; V1252-D1256 PolarHBondContact O-N 3.33Å; C1253-D1256 PolarHBondContact O-N 2.9Å; D1256-I1258 PolarHBondContact O-N 2.64Å; D1256-I1258 PolarHBondContact OD1-N 2.92Å; D1256-I1258 VanDerWaalsContact OD1-N 3.16Å; D1256-L1261 HydrophobicContact CB-CB 3.94Å; D1256-L1261 HydrophobicContact CB-CD1 4.26Å; D1256-L1261 VanDerWaalsContact CG-CD1 3.49Å; D1256-L1261 WeakPolarHBondContact OD2-CD1 3.32Å | ||
| 1257 | K | 87.1 | Confident | 91 | Very high | 209 Ų | 209 | 49.6 Ų | 49.6 | 91% | 0.909 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -66.9 | -16.8 | 178.3 | -62.1 | -176.5 | 178.9 | -174.7 | 0 | 112.8 | ||
| 1258 | I | 90.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -102.3 | 116.7 | -176.8 | -56.2 | -179.8 | 0 | 0 | 0 | 108.5 | A1222 D1256 R1260 L1261 N1262 | A1222-I1258 HydrophobicContact CB-CD1 3.07Å; D1256-I1258 PolarHBondContact O-N 2.64Å; D1256-I1258 PolarHBondContact OD1-N 2.92Å; D1256-I1258 VanDerWaalsContact OD1-N 3.16Å; I1258-R1260 VanDerWaalsContact C-N 3.32Å; I1258-R1260 HydrophobicContact CG2-CB 4.25Å; I1258-R1260 PolarHBondContact O-N 3.26Å; I1258-L1261 HydrophobicContact CB-CD1 4.23Å; I1258-L1261 HydrophobicContact CD1-CD1 4.42Å; I1258-L1261 WeakPolarHBondContact O-CB 3.39Å; I1258-L1261 PolarHBondContact O-N 3.18Å; I1258-N1262 PolarHBondContact O-N 3.41Å |
| 1259 | D | 87.7 | Confident | 91.7 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.7 | -41.9 | -174.7 | -177.2 | 65.2 | 0 | 0 | 0 | 113.2 | L1261 N1262 I1263 | D1259-L1261 PolarHBondContact O-N 2.53Å; D1259-N1262 WeakPolarHBondContact O-CA 3.43Å; D1259-N1262 WeakPolarHBondContact O-CB 3.45Å; D1259-N1262 PolarHBondContact O-N 2.75Å; D1259-I1263 PolarHBondContact O-N 3.18Å; D1259-I1263 WeakPolarHBondContact OD2-CD1 3.4Å |
| 1260 | R | 88.2 | Confident | 91.9 | Very high | 167 Ų | 167 | 52.1 Ų | 52.1 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -51.8 | -37.7 | 175 | 179.1 | 63.2 | 75.3 | 156.9 | 4.8 | 113.5 | I1258 L1264 | I1258-R1260 VanDerWaalsContact C-N 3.32Å; I1258-R1260 HydrophobicContact CG2-CB 4.25Å; I1258-R1260 PolarHBondContact O-N 3.26Å; R1260-L1264 HydrophobicContact CG-CD1 4.24Å; R1260-L1264 VanDerWaalsContact O-CG 3.26Å; R1260-L1264 WeakPolarHBondContact O-CG 3.46Å; R1260-L1264 PolarHBondContact O-N 2.98Å |
| 1261 | L | 90.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | 177.7 | -81.4 | 169.5 | 0 | 0 | 0 | 111.6 | R1225 L1229 D1256 I1258 D1259 L1264 A1265 | R1225-L1261 HydrophobicContact CB-CD1 3.76Å; R1225-L1261 HydrophobicContact CB-CD2 4.2Å; L1229-L1261 HydrophobicContact CB-CD2 4.32Å; L1229-L1261 HydrophobicContact CD2-CD2 3.83Å; D1256-L1261 HydrophobicContact CB-CB 3.94Å; D1256-L1261 HydrophobicContact CB-CD1 4.26Å; D1256-L1261 VanDerWaalsContact CG-CD1 3.49Å; D1256-L1261 WeakPolarHBondContact OD2-CD1 3.32Å; I1258-L1261 HydrophobicContact CB-CD1 4.23Å; I1258-L1261 HydrophobicContact CD1-CD1 4.42Å; I1258-L1261 WeakPolarHBondContact O-CB 3.39Å; I1258-L1261 PolarHBondContact O-N 3.18Å; D1259-L1261 PolarHBondContact O-N 2.53Å; L1261-L1264 PolarHBondContact O-N 2.86Å; L1261-A1265 WeakPolarHBondContact O-CB 3.4Å; L1261-A1265 PolarHBondContact O-N 3.1Å |
| 1262 | N | 91.2 | Very high | 91.6 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -53 | 174.9 | -163.1 | -31 | 0 | 0 | 0 | 110.5 | C1253 L1254 I1258 D1259 L1264 A1265 R1266 | C1253-N1262 WeakPolarHBondContact O-CA 3.49Å; L1254-N1262 VanDerWaalsContact O-CG 3.25Å; L1254-N1262 PolarHBondContact O-ND2 3.19Å; L1254-N1262 PolarHBondContact O-OD1 2.97Å; I1258-N1262 PolarHBondContact O-N 3.41Å; D1259-N1262 WeakPolarHBondContact O-CA 3.43Å; D1259-N1262 WeakPolarHBondContact O-CB 3.45Å; D1259-N1262 PolarHBondContact O-N 2.75Å; N1262-L1264 PolarHBondContact O-N 2.91Å; N1262-A1265 PolarHBondContact O-N 3.27Å; N1262-A1265 VanDerWaalsContact O-N 3.15Å; N1262-R1266 WeakPolarHBondContact O-CG 3.46Å; N1262-R1266 PolarHBondContact O-N 3.05Å; N1262-R1266 WeakPolarHBondContact OD1-CD 3.4Å; N1262-R1266 PolarHBondContact OD1-NE 3.42Å |
| 1263 | I | 91.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 45% | 0.446 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 178.6 | -64.6 | 174.8 | 0 | 0 | 0 | 111.6 | D1259 A1265 R1266 R1267 | D1259-I1263 PolarHBondContact O-N 3.18Å; D1259-I1263 WeakPolarHBondContact OD2-CD1 3.4Å; I1263-A1265 VanDerWaalsContact C-N 3.32Å; I1263-A1265 PolarHBondContact O-N 3.26Å; I1263-R1266 PolarHBondContact O-N 2.93Å; I1263-R1267 WeakPolarHBondContact O-CB 3.27Å; I1263-R1267 PolarHBondContact O-N 3.03Å |
| 1264 | L | 91.2 | Very high | 91.2 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 178.9 | -73.2 | 172.5 | 0 | 0 | 0 | 112.3 | T1226 L1229 R1260 L1261 N1262 F1268 | T1226-L1264 HydrophobicContact CG2-CD1 3.81Å; L1229-L1264 HydrophobicContact CD2-CB 3.75Å; R1260-L1264 HydrophobicContact CG-CD1 4.24Å; R1260-L1264 VanDerWaalsContact O-CG 3.26Å; R1260-L1264 WeakPolarHBondContact O-CG 3.46Å; R1260-L1264 PolarHBondContact O-N 2.98Å; L1261-L1264 PolarHBondContact O-N 2.86Å; N1262-L1264 PolarHBondContact O-N 2.91Å; L1264-F1268 WeakPolarHBondContact O-CB 3.43Å; L1264-F1268 PolarHBondContact O-N 3.29Å |
| 1265 | A | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.4 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1229 C1253 L1254 L1261 N1262 I1263 R1267 F1268 F1269 | L1229-A1265 HydrophobicContact CD2-CB 4.03Å; C1253-A1265 HydrophobicContact CB-CB 3.82Å; L1254-A1265 HydrophobicContact CD2-CB 3.79Å; L1254-A1265 HydrophobicContact CG-CB 4.11Å; L1261-A1265 WeakPolarHBondContact O-CB 3.4Å; L1261-A1265 PolarHBondContact O-N 3.1Å; N1262-A1265 PolarHBondContact O-N 3.27Å; N1262-A1265 VanDerWaalsContact O-N 3.15Å; I1263-A1265 VanDerWaalsContact C-N 3.32Å; I1263-A1265 PolarHBondContact O-N 3.26Å; A1265-R1267 VanDerWaalsContact C-N 3.32Å; A1265-R1267 PolarHBondContact O-N 3.08Å; A1265-F1268 PolarHBondContact O-N 2.89Å; A1265-F1269 VanDerWaalsContact O-CD2 3.22Å; A1265-F1269 WeakPolarHBondContact O-CD2 3.37Å; A1265-F1269 PolarHBondContact O-N 2.79Å |
| 1266 | R | 96.1 | Very high | 90.2 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.8 | -49.3 | 174.9 | -73.3 | 178.1 | 179.2 | -107.1 | -6 | 111 | E555 L1254 N1262 I1263 F1268 F1269 H1270 F1308 | E555-R1266 IonicContact OE1-NH1 3.01Å; E555-R1266 PolarHBondContact OE1-NH1 3.16Å; L1254-R1266 HydrophobicContact CD2-CB 4.29Å; L1254-R1266 HydrophobicContact CD2-CG 3.55Å; N1262-R1266 WeakPolarHBondContact O-CG 3.46Å; N1262-R1266 PolarHBondContact O-N 3.05Å; N1262-R1266 WeakPolarHBondContact OD1-CD 3.4Å; N1262-R1266 PolarHBondContact OD1-NE 3.42Å; I1263-R1266 PolarHBondContact O-N 2.93Å; R1266-F1268 PolarHBondContact O-N 3.35Å; R1266-F1269 PolarHBondContact O-N 3.4Å; R1266-H1270 WeakPolarHBondContact O-CB 3.49Å; R1266-H1270 PolarHBondContact O-N 3.26Å; R1266-F1308 HydrophobicContact CB-CE1 4.23Å; R1266-F1308 HydrophobicContact CB-CE2 4.05Å; R1266-F1308 HydrophobicContact CB-CZ 3.61Å; R1266-F1308 HydrophobicContact CG-CD2 4.34Å; R1266-F1308 HydrophobicContact CG-CE1 4.09Å; R1266-F1308 HydrophobicContact CG-CE2 3.83Å; R1266-F1308 HydrophobicContact CG-CZ 3.7Å |
| 1267 | R | 92 | Very high | 89.9 | Confident | 159 Ų | 159 | 68.3 Ų | 68.3 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.3 | -45.8 | 176.6 | -177.3 | 177.8 | 171.1 | 172.7 | 1.7 | 112.2 | I1263 A1265 F1269 H1270 E1271 | I1263-R1267 WeakPolarHBondContact O-CB 3.27Å; I1263-R1267 PolarHBondContact O-N 3.03Å; A1265-R1267 VanDerWaalsContact C-N 3.32Å; A1265-R1267 PolarHBondContact O-N 3.08Å; R1267-F1269 PolarHBondContact O-N 3.05Å; R1267-H1270 PolarHBondContact O-N 3.2Å; R1267-E1271 HydrophobicContact CG-CG 4.48Å; R1267-E1271 IonicContact CZ-OE1 3.15Å; R1267-E1271 IonicContact NE-OE1 3.26Å; R1267-E1271 PolarHBondContact NE-OE1 3.41Å; R1267-E1271 IonicContact NH2-OE1 3.51Å; R1267-E1271 PolarHBondContact NH2-OE1 2.89Å; R1267-E1271 VanDerWaalsContact NH2-OE1 3.11Å; R1267-E1271 WeakPolarHBondContact O-CG 3.43Å; R1267-E1271 PolarHBondContact O-N 3.43Å |
| 1268 | F | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 178 | 164.4 | -105 | 0 | 0 | 0 | 112.2 | S1233 I1236 L1237 I1247 M1250 L1264 A1265 R1266 H1270 E1271 L1272 | S1233-F1268 VanDerWaalsContact OG-CD2 3.28Å; S1233-F1268 WeakPolarHBondContact OG-CD2 3.36Å; S1233-F1268 WeakPolarHBondContact OG-CG 3.44Å; I1236-F1268 HydrophobicContact CB-CE2 4.14Å; I1236-F1268 HydrophobicContact CB-CZ 4.36Å; I1236-F1268 HydrophobicContact CD1-CE2 4.34Å; I1236-F1268 HydrophobicContact CD1-CZ 3.92Å; I1236-F1268 HydrophobicContact CG2-CE2 3.95Å; I1236-F1268 HydrophobicContact CG2-CZ 3.95Å; L1237-F1268 HydrophobicContact CD1-CD2 4.22Å; L1237-F1268 HydrophobicContact CD2-CE2 4.36Å; L1237-F1268 HydrophobicContact CG-CD2 4.19Å; L1237-F1268 HydrophobicContact CG-CE2 4.13Å; I1247-F1268 HydrophobicContact CD1-CE1 4.01Å; I1247-F1268 HydrophobicContact CD1-CZ 4.02Å; I1247-F1268 HydrophobicContact CG1-CE1 4.4Å; M1250-F1268 HydrophobicContact CE-CD1 3.61Å; M1250-F1268 HydrophobicContact CE-CD2 4.07Å; M1250-F1268 HydrophobicContact CE-CE1 3.43Å; M1250-F1268 VanDerWaalsContact CE-CE1 3.43Å; M1250-F1268 HydrophobicContact CE-CE2 3.91Å; M1250-F1268 HydrophobicContact CE-CG 3.91Å; M1250-F1268 HydrophobicContact CE-CZ 3.58Å; M1250-F1268 HydrophobicContact SD-CD1 4.47Å; M1250-F1268 HydrophobicContact SD-CE1 3.77Å; M1250-F1268 HydrophobicContact SD-CZ 3.88Å; L1264-F1268 WeakPolarHBondContact O-CB 3.43Å; L1264-F1268 PolarHBondContact O-N 3.29Å; A1265-F1268 PolarHBondContact O-N 2.89Å; R1266-F1268 PolarHBondContact O-N 3.35Å; F1268-H1270 VanDerWaalsContact C-N 3.34Å; F1268-H1270 PolarHBondContact O-N 3.48Å; F1268-E1271 PolarHBondContact O-N 2.88Å; F1268-L1272 HydrophobicContact CE1-CD2 4.15Å; F1268-L1272 HydrophobicContact CZ-CD2 3.96Å; F1268-L1272 VanDerWaalsContact O-CB 3.28Å; F1268-L1272 WeakPolarHBondContact O-CB 3.36Å; F1268-L1272 PolarHBondContact O-N 3.41Å |
| 1269 | F | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.7 | -30.4 | -179.3 | -77.2 | -68.4 | 0 | 0 | 0 | 112.9 | I1247 M1250 T1251 L1254 A1265 R1266 R1267 L1272 S1273 L1279 F1308 L1309 L1312 | I1247-F1269 HydrophobicContact CD1-CE1 4.07Å; I1247-F1269 HydrophobicContact CG1-CE1 4.11Å; I1247-F1269 HydrophobicContact CG1-CZ 4.23Å; M1250-F1269 HydrophobicContact CB-CE2 4.3Å; M1250-F1269 HydrophobicContact CB-CZ 4.04Å; T1251-F1269 HydrophobicContact CG2-CE1 3.91Å; T1251-F1269 HydrophobicContact CG2-CE2 3.85Å; T1251-F1269 HydrophobicContact CG2-CZ 3.29Å; L1254-F1269 HydrophobicContact CD1-CD2 4.09Å; L1254-F1269 HydrophobicContact CD1-CE2 4.22Å; L1254-F1269 HydrophobicContact CD2-CD2 4.28Å; L1254-F1269 HydrophobicContact CG-CD2 4.34Å; L1254-F1269 HydrophobicContact CG-CE2 4.45Å; A1265-F1269 VanDerWaalsContact O-CD2 3.22Å; A1265-F1269 WeakPolarHBondContact O-CD2 3.37Å; A1265-F1269 PolarHBondContact O-N 2.79Å; R1266-F1269 PolarHBondContact O-N 3.4Å; R1267-F1269 PolarHBondContact O-N 3.05Å; F1269-L1272 HydrophobicContact CD1-CD2 4.21Å; F1269-L1272 HydrophobicContact CE1-CD2 4.39Å; F1269-L1272 PolarHBondContact O-N 3.21Å; F1269-S1273 WeakPolarHBondContact O-CB 3.32Å; F1269-S1273 PolarHBondContact O-N 2.87Å; F1269-L1279 HydrophobicContact CD1-CD1 4.05Å; F1269-F1308 HydrophobicContact CB-CE1 3.96Å; F1269-L1309 HydrophobicContact CB-CD2 3.76Å; F1269-L1309 HydrophobicContact CD1-CD2 3.65Å; F1269-L1309 HydrophobicContact CD2-CD2 4Å; F1269-L1309 HydrophobicContact CE1-CD2 4.26Å; F1269-L1309 HydrophobicContact CG-CD2 3.52Å; F1269-L1312 HydrophobicContact CB-CD1 4.19Å |
| 1270 | H | 92.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 170.1 | -170.1 | 89.1 | 0 | 0 | 0 | 111.7 | R1266 R1267 F1268 L1272 S1273 Q1274 | R1266-H1270 WeakPolarHBondContact O-CB 3.49Å; R1266-H1270 PolarHBondContact O-N 3.26Å; R1267-H1270 PolarHBondContact O-N 3.2Å; F1268-H1270 VanDerWaalsContact C-N 3.34Å; F1268-H1270 PolarHBondContact O-N 3.48Å; H1270-L1272 VanDerWaalsContact C-N 3.28Å; H1270-L1272 PolarHBondContact O-N 3.28Å; H1270-S1273 PolarHBondContact O-N 3.4Å; H1270-S1273 PolarHBondContact O-OG 3.4Å; H1270-Q1274 PolarHBondContact CD2-NE2 3.4Å; H1270-Q1274 VanDerWaalsContact CD2-NE2 3.29Å; H1270-Q1274 PolarHBondContact NE2-NE2 2.93Å; H1270-Q1274 WeakPolarHBondContact O-CG 3.38Å; H1270-Q1274 PolarHBondContact O-N 2.9Å |
| 1271 | E | 90.4 | Very high | 89.8 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 174.9 | -70.9 | -177.5 | -166.5 | 0 | 0 | 111.8 | L1237 R1267 F1268 Q1274 | L1237-E1271 HydrophobicContact CD1-CB 4.18Å; L1237-E1271 VanDerWaalsContact CD1-OE2 3.22Å; L1237-E1271 WeakPolarHBondContact CD1-OE2 3.41Å; L1237-E1271 HydrophobicContact CD2-CB 4.23Å; R1267-E1271 HydrophobicContact CG-CG 4.48Å; R1267-E1271 IonicContact CZ-OE1 3.15Å; R1267-E1271 IonicContact NE-OE1 3.26Å; R1267-E1271 PolarHBondContact NE-OE1 3.41Å; R1267-E1271 IonicContact NH2-OE1 3.51Å; R1267-E1271 PolarHBondContact NH2-OE1 2.89Å; R1267-E1271 VanDerWaalsContact NH2-OE1 3.11Å; R1267-E1271 WeakPolarHBondContact O-CG 3.43Å; R1267-E1271 PolarHBondContact O-N 3.43Å; F1268-E1271 PolarHBondContact O-N 2.88Å; E1271-Q1274 PolarHBondContact O-N 3.45Å |
| 1272 | L | 90.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 176.2 | -171.6 | 66.2 | 0 | 0 | 0 | 112.5 | I1236 L1237 I1247 F1268 F1269 H1270 Q1274 K1275 A1278 | I1236-L1272 HydrophobicContact CG2-CD1 4.28Å; L1237-L1272 HydrophobicContact CD2-CB 4.47Å; L1237-L1272 HydrophobicContact CD2-CD1 4.36Å; I1247-L1272 HydrophobicContact CD1-CD2 3.68Å; F1268-L1272 HydrophobicContact CE1-CD2 4.15Å; F1268-L1272 HydrophobicContact CZ-CD2 3.96Å; F1268-L1272 VanDerWaalsContact O-CB 3.28Å; F1268-L1272 WeakPolarHBondContact O-CB 3.36Å; F1268-L1272 PolarHBondContact O-N 3.41Å; F1269-L1272 HydrophobicContact CD1-CD2 4.21Å; F1269-L1272 HydrophobicContact CE1-CD2 4.39Å; F1269-L1272 PolarHBondContact O-N 3.21Å; H1270-L1272 VanDerWaalsContact C-N 3.28Å; H1270-L1272 PolarHBondContact O-N 3.28Å; L1272-Q1274 VanDerWaalsContact C-N 3.25Å; L1272-Q1274 PolarHBondContact O-N 3.25Å; L1272-K1275 PolarHBondContact O-N 3.32Å; L1272-A1278 HydrophobicContact CD1-CB 3.78Å; L1272-A1278 HydrophobicContact CG-CB 4.17Å |
| 1273 | S | 88.3 | Confident | 89.7 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -30.2 | 176.9 | 79.3 | 0 | 0 | 0 | 0 | 111.8 | F1269 H1270 K1275 | F1269-S1273 WeakPolarHBondContact O-CB 3.32Å; F1269-S1273 PolarHBondContact O-N 2.87Å; H1270-S1273 PolarHBondContact O-N 3.4Å; H1270-S1273 PolarHBondContact O-OG 3.4Å; S1273-K1275 VanDerWaalsContact C-N 3.3Å; S1273-K1275 PolarHBondContact O-N 3.03Å |
| 1274 | Q | 87.6 | Confident | 89.5 | Confident | 137 Ų | 137 | 46.4 Ų | 46.4 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -73.1 | -20.2 | 174.8 | -62.9 | -177.9 | 14.4 | 0 | 0 | 113.1 | H1270 E1271 L1272 G1276 | H1270-Q1274 PolarHBondContact CD2-NE2 3.4Å; H1270-Q1274 VanDerWaalsContact CD2-NE2 3.29Å; H1270-Q1274 PolarHBondContact NE2-NE2 2.93Å; H1270-Q1274 WeakPolarHBondContact O-CG 3.38Å; H1270-Q1274 PolarHBondContact O-N 2.9Å; E1271-Q1274 PolarHBondContact O-N 3.45Å; L1272-Q1274 VanDerWaalsContact C-N 3.25Å; L1272-Q1274 PolarHBondContact O-N 3.25Å; Q1274-G1276 PolarHBondContact O-N 2.85Å; Q1274-G1276 VanDerWaalsContact O-N 3.13Å |
| 1275 | K | 83.7 | Confident | 89.2 | Confident | 96 Ų | 96 | 48.4 Ų | 48.4 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -85.7 | 80.3 | 178.3 | -72.8 | -159.5 | 170 | -145.6 | 0 | 112.9 | L1237 L1272 S1273 N1277 A1278 | L1237-K1275 HydrophobicContact CD2-CD 4.15Å; L1237-K1275 WeakPolarHBondContact O-CE 3.33Å; L1237-K1275 PolarHBondContact O-NZ 3.2Å; L1272-K1275 PolarHBondContact O-N 3.32Å; S1273-K1275 VanDerWaalsContact C-N 3.3Å; S1273-K1275 PolarHBondContact O-N 3.03Å; K1275-N1277 PolarHBondContact O-N 3.44Å; K1275-A1278 VanDerWaalsContact O-CB 3.31Å; K1275-A1278 WeakPolarHBondContact O-CB 3.43Å; K1275-A1278 PolarHBondContact O-N 2.99Å |
| 1276 | G | 80.9 | Confident | 89 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -119.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1274 | Q1274-G1276 PolarHBondContact O-N 2.85Å; Q1274-G1276 VanDerWaalsContact O-N 3.13Å |
| 1277 | N | 85.3 | Confident | 88.7 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 21.9 | 179.1 | -59.3 | -17.2 | 0 | 0 | 0 | 111.6 | K1275 Y1280 N1281 K1315 L1318 | K1275-N1277 PolarHBondContact O-N 3.44Å; N1277-Y1280 PolarHBondContact O-N 3.45Å; N1277-N1281 PolarHBondContact O-N 2.7Å; N1277-N1281 PolarHBondContact O-ND2 3.24Å; N1277-K1315 PolarHBondContact OD1-NZ 3.18Å; N1277-L1318 HydrophobicContact CB-CD1 4.39Å |
| 1278 | A | 86.7 | Confident | 88.5 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 24% | 0.24 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1272 K1275 Y1280 N1281 V1282 | L1272-A1278 HydrophobicContact CD1-CB 3.78Å; L1272-A1278 HydrophobicContact CG-CB 4.17Å; K1275-A1278 VanDerWaalsContact O-CB 3.31Å; K1275-A1278 WeakPolarHBondContact O-CB 3.43Å; K1275-A1278 PolarHBondContact O-N 2.99Å; A1278-Y1280 PolarHBondContact O-N 3.21Å; A1278-N1281 PolarHBondContact O-N 2.76Å; A1278-V1282 PolarHBondContact O-N 2.71Å |
| 1279 | L | 88.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 178.9 | -179.7 | 59 | 0 | 0 | 0 | 111.8 | F1269 N1281 V1282 V1283 L1309 L1312 I1313 | F1269-L1279 HydrophobicContact CD1-CD1 4.05Å; L1279-N1281 VanDerWaalsContact C-N 3.3Å; L1279-N1281 PolarHBondContact O-N 3.44Å; L1279-V1282 HydrophobicContact CD1-CG2 4.31Å; L1279-V1282 WeakPolarHBondContact O-CG2 3.4Å; L1279-V1282 PolarHBondContact O-N 3.29Å; L1279-V1282 VanDerWaalsContact O-N 3.17Å; L1279-V1283 HydrophobicContact CD1-CG2 4.12Å; L1279-V1283 HydrophobicContact CG-CG2 4.19Å; L1279-V1283 WeakPolarHBondContact O-CG2 3.43Å; L1279-V1283 PolarHBondContact O-N 3.23Å; L1279-V1283 VanDerWaalsContact O-N 3.13Å; L1279-L1309 HydrophobicContact CD1-CD2 4.29Å; L1279-L1312 HydrophobicContact CD2-CB 3.72Å; L1279-L1312 HydrophobicContact CD2-CD1 4.3Å; L1279-I1313 HydrophobicContact CD2-CG1 4.12Å; L1279-I1313 HydrophobicContact CG-CG1 4.32Å |
| 1280 | Y | 87.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | 178 | 162.2 | -94.3 | 0 | 0 | 0 | 113.1 | N1277 A1278 V1282 P1284 L1318 T1321 L1322 K1325 | N1277-Y1280 PolarHBondContact O-N 3.45Å; A1278-Y1280 PolarHBondContact O-N 3.21Å; Y1280-V1282 VanDerWaalsContact C-N 3.26Å; Y1280-V1282 PolarHBondContact O-N 3.46Å; Y1280-P1284 VanDerWaalsContact O-CD 3.28Å; Y1280-P1284 WeakPolarHBondContact O-CD 3.39Å; Y1280-L1318 HydrophobicContact CD1-CD2 4.18Å; Y1280-L1318 HydrophobicContact CD2-CB 3.97Å; Y1280-L1318 HydrophobicContact CD2-CD2 4.43Å; Y1280-L1318 HydrophobicContact CE1-CD2 4.38Å; Y1280-L1318 HydrophobicContact CE2-CB 4.37Å; Y1280-L1318 WeakPolarHBondContact CE2-O 3.25Å; Y1280-L1318 HydrophobicContact CG-CB 4.34Å; Y1280-L1318 HydrophobicContact CG-CD1 4.39Å; Y1280-L1318 HydrophobicContact CG-CD2 4.2Å; Y1280-T1321 VanDerWaalsContact CE2-OG1 3.22Å; Y1280-T1321 WeakPolarHBondContact CE2-OG1 3.49Å; Y1280-T1321 VanDerWaalsContact OH-CB 3.31Å; Y1280-T1321 WeakPolarHBondContact OH-CB 3.33Å; Y1280-T1321 PolarHBondContact OH-OG1 2.73Å; Y1280-L1322 HydrophobicContact CD2-CB 4.28Å; Y1280-L1322 HydrophobicContact CD2-CD1 4.44Å; Y1280-L1322 HydrophobicContact CE2-CB 3.95Å; Y1280-L1322 HydrophobicContact CE2-CD1 4.36Å; Y1280-K1325 VanDerWaalsContact OH-CE 3.28Å; Y1280-K1325 WeakPolarHBondContact OH-CE 3.44Å; Y1280-K1325 PolarHBondContact OH-NZ 3.43Å |
| 1281 | N | 87.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 39 Ų | 39 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.1 | -26.6 | -178.1 | -72.9 | -25.5 | 0 | 0 | 0 | 113 | N1277 A1278 L1279 | N1277-N1281 PolarHBondContact O-N 2.7Å; N1277-N1281 PolarHBondContact O-ND2 3.24Å; A1278-N1281 PolarHBondContact O-N 2.76Å; L1279-N1281 VanDerWaalsContact C-N 3.3Å; L1279-N1281 PolarHBondContact O-N 3.44Å |
| 1282 | V | 88.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -98.9 | -21.6 | -173.7 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | V1243 I1247 A1278 L1279 Y1280 D1285 I1286 | V1243-V1282 HydrophobicContact CB-CG1 4.16Å; V1243-V1282 HydrophobicContact CG1-CB 4.48Å; V1243-V1282 HydrophobicContact CG1-CG1 3.45Å; V1243-V1282 VanDerWaalsContact CG1-CG1 3.45Å; I1247-V1282 HydrophobicContact CD1-CG2 4.44Å; I1247-V1282 HydrophobicContact CG2-CB 3.91Å; I1247-V1282 HydrophobicContact CG2-CG1 4.24Å; I1247-V1282 HydrophobicContact CG2-CG2 4.31Å; A1278-V1282 PolarHBondContact O-N 2.71Å; L1279-V1282 HydrophobicContact CD1-CG2 4.31Å; L1279-V1282 WeakPolarHBondContact O-CG2 3.4Å; L1279-V1282 PolarHBondContact O-N 3.29Å; L1279-V1282 VanDerWaalsContact O-N 3.17Å; Y1280-V1282 VanDerWaalsContact C-N 3.26Å; Y1280-V1282 PolarHBondContact O-N 3.46Å; V1282-D1285 PolarHBondContact O-N 3.39Å; V1282-I1286 HydrophobicContact CB-CD1 4.34Å; V1282-I1286 HydrophobicContact CG2-CD1 3.88Å; V1282-I1286 WeakPolarHBondContact O-CG1 3.38Å; V1282-I1286 PolarHBondContact O-N 3.26Å |
| 1283 | V | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.8 | -46.8 | 178.6 | 167.1 | 0 | 0 | 0 | 0 | 112.7 | L1279 D1285 I1286 I1287 M1306 I1313 L1322 | L1279-V1283 HydrophobicContact CD1-CG2 4.12Å; L1279-V1283 HydrophobicContact CG-CG2 4.19Å; L1279-V1283 WeakPolarHBondContact O-CG2 3.43Å; L1279-V1283 PolarHBondContact O-N 3.23Å; L1279-V1283 VanDerWaalsContact O-N 3.13Å; V1283-D1285 VanDerWaalsContact C-N 3.32Å; V1283-D1285 PolarHBondContact O-N 3.46Å; V1283-I1286 WeakPolarHBondContact O-CB 3.33Å; V1283-I1286 PolarHBondContact O-N 3.43Å; V1283-I1287 HydrophobicContact CG1-CD1 3.83Å; V1283-I1287 HydrophobicContact CG1-CG1 4.45Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.27Å; V1283-I1287 PolarHBondContact O-N 3.33Å; V1283-M1306 HydrophobicContact CG1-CE 4.21Å; V1283-I1313 HydrophobicContact CG2-CD1 3.84Å; V1283-L1322 HydrophobicContact CG1-CD1 4.1Å; V1283-L1322 HydrophobicContact CG1-CD2 4.31Å |
| 1284 | P | 86.1 | Confident | 85.9 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.4 | -48.1 | 174.5 | -25.9 | 35.3 | 0 | 0 | 0 | 111.5 | Y1280 I1286 I1287 S1288 L1322 R1329 | Y1280-P1284 VanDerWaalsContact O-CD 3.28Å; Y1280-P1284 WeakPolarHBondContact O-CD 3.39Å; P1284-I1286 VanDerWaalsContact C-N 3.32Å; P1284-I1286 PolarHBondContact O-N 3.05Å; P1284-I1287 PolarHBondContact O-N 3.03Å; P1284-S1288 PolarHBondContact O-N 3.48Å; P1284-S1288 PolarHBondContact O-OG 2.91Å; P1284-L1322 HydrophobicContact CG-CD1 4.43Å; P1284-R1329 VanDerWaalsContact C-CZ 3.45Å; P1284-R1329 VanDerWaalsContact CB-CZ 3.48Å; P1284-R1329 PolarHBondContact O-NH1 3.32Å; P1284-R1329 PolarHBondContact O-NH2 3.28Å |
| 1285 | D | 85.2 | Confident | 85.1 | Confident | 74 Ų | 74 | 45.2 Ų | 45.2 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -31.1 | -176.8 | -62.3 | -21.5 | 0 | 0 | 0 | 112.6 | V1282 V1283 S1288 R1289 R1329 | V1282-D1285 PolarHBondContact O-N 3.39Å; V1283-D1285 VanDerWaalsContact C-N 3.32Å; V1283-D1285 PolarHBondContact O-N 3.46Å; D1285-S1288 PolarHBondContact O-N 3.18Å; D1285-R1289 PolarHBondContact O-N 3.37Å; D1285-R1289 VanDerWaalsContact O-N 3.13Å; D1285-R1289 PolarHBondContact O-NE 3.49Å; D1285-R1289 PolarHBondContact O-NH2 2.91Å; D1285-R1329 IonicContact OD1-NH2 3.65Å |
| 1286 | I | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 170.9 | -69 | 163.8 | 0 | 0 | 0 | 109.7 | I1247 T1251 V1282 V1283 P1284 S1288 R1289 L1290 M1306 L1309 | I1247-I1286 HydrophobicContact CG2-CD1 4.32Å; I1247-I1286 HydrophobicContact CG2-CG1 4.15Å; T1251-I1286 HydrophobicContact CG2-CD1 3.83Å; T1251-I1286 HydrophobicContact CG2-CG1 4.16Å; T1251-I1286 HydrophobicContact CG2-CG2 4.03Å; V1282-I1286 HydrophobicContact CB-CD1 4.34Å; V1282-I1286 HydrophobicContact CG2-CD1 3.88Å; V1282-I1286 WeakPolarHBondContact O-CG1 3.38Å; V1282-I1286 PolarHBondContact O-N 3.26Å; V1283-I1286 WeakPolarHBondContact O-CB 3.33Å; V1283-I1286 PolarHBondContact O-N 3.43Å; P1284-I1286 VanDerWaalsContact C-N 3.32Å; P1284-I1286 PolarHBondContact O-N 3.05Å; I1286-S1288 VanDerWaalsContact C-N 3.3Å; I1286-S1288 PolarHBondContact O-N 3.35Å; I1286-R1289 PolarHBondContact O-N 3.16Å; I1286-R1289 VanDerWaalsContact O-N 3.15Å; I1286-L1290 HydrophobicContact CG2-CD1 3.58Å; I1286-L1290 HydrophobicContact CG2-CG 4.08Å; I1286-L1290 WeakPolarHBondContact O-CB 3.29Å; I1286-L1290 WeakPolarHBondContact O-CG 3.31Å; I1286-L1290 PolarHBondContact O-N 3.21Å; I1286-M1306 HydrophobicContact CG2-SD 4.24Å; I1286-L1309 HydrophobicContact CD1-CD1 4.36Å; I1286-L1309 HydrophobicContact CG2-CD1 4.44Å |
| 1287 | I | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 179.1 | -66.6 | 166.7 | 0 | 0 | 0 | 110.7 | V1283 P1284 R1289 S1291 F1302 M1306 L1326 L1342 C1345 | V1283-I1287 HydrophobicContact CG1-CD1 3.83Å; V1283-I1287 HydrophobicContact CG1-CG1 4.45Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.27Å; V1283-I1287 PolarHBondContact O-N 3.33Å; P1284-I1287 PolarHBondContact O-N 3.03Å; I1287-R1289 VanDerWaalsContact C-N 3.32Å; I1287-R1289 PolarHBondContact O-N 2.93Å; I1287-S1291 WeakPolarHBondContact O-CB 3.5Å; I1287-S1291 PolarHBondContact O-N 3.39Å; I1287-S1291 PolarHBondContact O-OG 2.9Å; I1287-F1302 HydrophobicContact CG1-CZ 4.5Å; I1287-F1302 HydrophobicContact CG2-CZ 4.3Å; I1287-M1306 HydrophobicContact CD1-CE 3.88Å; I1287-M1306 HydrophobicContact CG1-CE 3.68Å; I1287-M1306 HydrophobicContact CG1-SD 4Å; I1287-L1326 HydrophobicContact CD1-CD2 3.52Å; I1287-L1342 HydrophobicContact CG2-CD2 3.99Å; I1287-C1345 HydrophobicContact CD1-CB 4.36Å |
| 1288 | S | 86.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 40 Ų | 40 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 179.6 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | P1284 D1285 I1286 S1291 R1329 | P1284-S1288 PolarHBondContact O-N 3.48Å; P1284-S1288 PolarHBondContact O-OG 2.91Å; D1285-S1288 PolarHBondContact O-N 3.18Å; I1286-S1288 VanDerWaalsContact C-N 3.3Å; I1286-S1288 PolarHBondContact O-N 3.35Å; S1288-S1291 PolarHBondContact O-OG 2.93Å; S1288-R1329 PolarHBondContact OG-NH1 3.4Å; S1288-R1329 PolarHBondContact OG-NH2 3.41Å |
| 1289 | R | 87.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 41.5 Ų | 41.5 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.3 | -42 | -177.2 | -97.5 | 171.7 | -78.7 | 109.9 | -3.9 | 112.6 | G1245 S1248 D1285 I1286 I1287 D1292 | G1245-R1289 VanDerWaalsContact C-NH2 3.35Å; G1245-R1289 WeakPolarHBondContact O-CD 3.42Å; G1245-R1289 PolarHBondContact O-NE 3.14Å; G1245-R1289 PolarHBondContact O-NH1 3.15Å; G1245-R1289 VanDerWaalsContact O-NH1 3.08Å; G1245-R1289 PolarHBondContact O-NH2 3.43Å; S1248-R1289 WeakPolarHBondContact OG-CD 3.41Å; S1248-R1289 PolarHBondContact OG-NH1 3.36Å; D1285-R1289 PolarHBondContact O-N 3.37Å; D1285-R1289 VanDerWaalsContact O-N 3.13Å; D1285-R1289 PolarHBondContact O-NE 3.49Å; D1285-R1289 PolarHBondContact O-NH2 2.91Å; I1286-R1289 PolarHBondContact O-N 3.16Å; I1286-R1289 VanDerWaalsContact O-N 3.15Å; I1287-R1289 VanDerWaalsContact C-N 3.32Å; I1287-R1289 PolarHBondContact O-N 2.93Å; R1289-D1292 PolarHBondContact O-N 3.41Å |
| 1290 | L | 89.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.1 | -26.1 | -177.3 | -61.6 | -175.5 | 0 | 0 | 0 | 112.9 | V1252 I1286 D1292 V1297 F1302 I1305 | V1252-L1290 HydrophobicContact CG2-CD2 4.23Å; I1286-L1290 HydrophobicContact CG2-CD1 3.58Å; I1286-L1290 HydrophobicContact CG2-CG 4.08Å; I1286-L1290 WeakPolarHBondContact O-CB 3.29Å; I1286-L1290 WeakPolarHBondContact O-CG 3.31Å; I1286-L1290 PolarHBondContact O-N 3.21Å; L1290-D1292 VanDerWaalsContact C-N 3.32Å; L1290-V1297 HydrophobicContact CB-CG2 4.2Å; L1290-V1297 HydrophobicContact CD2-CG1 4.26Å; L1290-V1297 HydrophobicContact CD2-CG2 4.3Å; L1290-V1297 PolarHBondContact O-N 2.97Å; L1290-F1302 HydrophobicContact CB-CD2 3.58Å; L1290-F1302 HydrophobicContact CB-CE2 3.91Å; L1290-F1302 HydrophobicContact CD1-CD2 4.4Å; L1290-I1305 HydrophobicContact CD1-CD1 4.02Å; L1290-I1305 HydrophobicContact CD1-CG2 3.91Å |
| 1291 | S | 86.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.4 | 175.9 | 63 | 0 | 0 | 0 | 0 | 114.6 | I1287 S1288 P1293 D1341 | I1287-S1291 WeakPolarHBondContact O-CB 3.5Å; I1287-S1291 PolarHBondContact O-N 3.39Å; I1287-S1291 PolarHBondContact O-OG 2.9Å; S1288-S1291 PolarHBondContact O-OG 2.93Å; S1291-P1293 WeakPolarHBondContact O-CD 3.19Å; S1291-D1341 VanDerWaalsContact CA-OD2 3.28Å; S1291-D1341 WeakPolarHBondContact CA-OD2 3Å; S1291-D1341 WeakPolarHBondContact CB-OD2 3.11Å |
| 1292 | D | 84.1 | Confident | 85.8 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | trans | -71.5 | 119.4 | 175.7 | -170.4 | -45.5 | 0 | 0 | 0 | 109.7 | R1289 L1290 T1294 G1296 | R1289-D1292 PolarHBondContact O-N 3.41Å; L1290-D1292 VanDerWaalsContact C-N 3.32Å; D1292-T1294 PolarHBondContact O-N 3.42Å; D1292-T1294 VanDerWaalsContact O-N 3.14Å; D1292-T1294 WeakPolarHBondContact OD1-CB 3.36Å; D1292-T1294 PolarHBondContact OD1-N 2.73Å; D1292-T1294 PolarHBondContact OD1-OG1 3.37Å; D1292-G1296 VanDerWaalsContact O-CA 3.23Å; D1292-G1296 WeakPolarHBondContact O-CA 3.47Å; D1292-G1296 PolarHBondContact O-N 2.96Å | ||
| 1293 | P | 73.8 | Confident | 85.9 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.7 | -176.9 | 26.5 | -33.9 | 0 | 0 | 0 | 114.4 | S1291 L1335 | S1291-P1293 WeakPolarHBondContact O-CD 3.19Å; P1293-L1335 HydrophobicContact CG-CD1 4Å |
| 1294 | T | 75.6 | Confident | 86 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 72% | 0.724 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -32.8 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 114 | D1292 | D1292-T1294 PolarHBondContact O-N 3.42Å; D1292-T1294 VanDerWaalsContact O-N 3.14Å; D1292-T1294 WeakPolarHBondContact OD1-CB 3.36Å; D1292-T1294 PolarHBondContact OD1-N 2.73Å; D1292-T1294 PolarHBondContact OD1-OG1 3.37Å |
| 1295 | I | 71.7 | Confident | 86.4 | Confident | 110 Ų | 110 | 50.9 Ų | 50.9 | 56% | 0.564 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -24.9 | -173.3 | -61.4 | 162.2 | 0 | 0 | 0 | 111.9 | ||
| 1296 | G | 78 | Confident | 86.8 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -76.6 | -164.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1292 | D1292-G1296 VanDerWaalsContact O-CA 3.23Å; D1292-G1296 WeakPolarHBondContact O-CA 3.47Å; D1292-G1296 PolarHBondContact O-N 2.96Å |
| 1297 | V | 86.5 | Confident | 86.9 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | trans | -103.3 | 166.1 | -175.8 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | V1252 L1290 H1301 F1302 I1305 R1337 | V1252-V1297 HydrophobicContact CG2-CG1 4.03Å; L1290-V1297 HydrophobicContact CB-CG2 4.2Å; L1290-V1297 HydrophobicContact CD2-CG1 4.26Å; L1290-V1297 HydrophobicContact CD2-CG2 4.3Å; L1290-V1297 PolarHBondContact O-N 2.97Å; V1297-H1301 HydrophobicContact CB-CB 4Å; V1297-H1301 HydrophobicContact CG2-CB 4.13Å; V1297-F1302 HydrophobicContact CG2-CB 3.93Å; V1297-I1305 HydrophobicContact CG2-CD1 4.47Å; V1297-R1337 PolarHBondContact O-NH2 2.97Å; V1297-R1337 VanDerWaalsContact O-NH2 3.09Å | ||
| 1298 | S | 88.6 | Confident | 87.1 | Confident | 54 Ų | 54 | 55 Ų | 55 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | trans | -57 | 155.7 | 170.3 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | E1300 H1301 F1302 | S1298-E1300 VanDerWaalsContact C-N 3.26Å; S1298-E1300 PolarHBondContact O-N 3.34Å; S1298-H1301 PolarHBondContact O-N 3.38Å; S1298-H1301 WeakPolarHBondContact OG-CB 3.23Å; S1298-H1301 VanDerWaalsContact OG-CG 3.24Å; S1298-H1301 PolarHBondContact OG-N 3.46Å; S1298-H1301 PolarHBondContact OG-ND1 2.87Å; S1298-H1301 VanDerWaalsContact OG-ND1 3.08Å; S1298-F1302 WeakPolarHBondContact O-CB 3.48Å; S1298-F1302 PolarHBondContact O-N 3.04Å | ||
| 1299 | E | 87 | Confident | 87.4 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | -179.3 | -159.7 | 159 | 170.9 | 0 | 0 | 110.9 | F1302 H1303 R1337 R1340 | E1299-F1302 WeakPolarHBondContact O-CB 3.43Å; E1299-F1302 PolarHBondContact O-N 2.69Å; E1299-H1303 VanDerWaalsContact O-CG 3.29Å; E1299-H1303 PolarHBondContact O-N 2.91Å; E1299-R1337 IonicContact OE2-NE 3.29Å; E1299-R1340 IonicContact OE1-CZ 2.62Å; E1299-R1340 IonicContact OE1-NE 3.66Å; E1299-R1340 PolarHBondContact OE1-NE 3.09Å; E1299-R1340 IonicContact OE1-NH2 2.85Å; E1299-R1340 IonicContact OE2-NE 3.66Å; E1299-R1340 IonicContact OE2-NH2 3.93Å; E1299-R1340 PolarHBondContact OE2-NH2 3.01Å |
| 1300 | E | 89.3 | Confident | 87.7 | Confident | 156 Ų | 156 | 49.9 Ų | 49.9 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.4 | -48.9 | 174.3 | -65.9 | 172.7 | 179.4 | 0 | 0 | 113.1 | S1298 F1302 H1303 S1304 | S1298-E1300 VanDerWaalsContact C-N 3.26Å; S1298-E1300 PolarHBondContact O-N 3.34Å; E1300-F1302 VanDerWaalsContact C-N 3.33Å; E1300-F1302 PolarHBondContact O-N 3.13Å; E1300-H1303 PolarHBondContact O-N 2.99Å; E1300-S1304 PolarHBondContact O-N 3.04Å |
| 1301 | H | 91.7 | Very high | 87.7 | Confident | 85 Ų | 85 | 53 Ų | 53 | 39% | 0.394 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 177.9 | -70.8 | 158.1 | 0 | 0 | 0 | 112.1 | V1255 V1297 S1298 H1303 S1304 I1305 | V1255-H1301 HydrophobicContact CG1-CB 4.36Å; V1255-H1301 HydrophobicContact CG2-CB 4.11Å; V1297-H1301 HydrophobicContact CB-CB 4Å; V1297-H1301 HydrophobicContact CG2-CB 4.13Å; S1298-H1301 PolarHBondContact O-N 3.38Å; S1298-H1301 WeakPolarHBondContact OG-CB 3.23Å; S1298-H1301 VanDerWaalsContact OG-CG 3.24Å; S1298-H1301 PolarHBondContact OG-N 3.46Å; S1298-H1301 PolarHBondContact OG-ND1 2.87Å; S1298-H1301 VanDerWaalsContact OG-ND1 3.08Å; H1301-H1303 VanDerWaalsContact C-N 3.33Å; H1301-S1304 PolarHBondContact O-N 3.31Å; H1301-I1305 WeakPolarHBondContact O-CB 3.5Å; H1301-I1305 WeakPolarHBondContact O-CD1 3.29Å; H1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; H1301-I1305 PolarHBondContact O-N 2.96Å |
| 1302 | F | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 173.6 | 177.9 | -92.1 | 0 | 0 | 0 | 110.7 | I1287 L1290 V1297 S1298 E1299 E1300 I1305 M1306 D1341 | I1287-F1302 HydrophobicContact CG1-CZ 4.5Å; I1287-F1302 HydrophobicContact CG2-CZ 4.3Å; L1290-F1302 HydrophobicContact CB-CD2 3.58Å; L1290-F1302 HydrophobicContact CB-CE2 3.91Å; L1290-F1302 HydrophobicContact CD1-CD2 4.4Å; V1297-F1302 HydrophobicContact CG2-CB 3.93Å; S1298-F1302 WeakPolarHBondContact O-CB 3.48Å; S1298-F1302 PolarHBondContact O-N 3.04Å; E1299-F1302 WeakPolarHBondContact O-CB 3.43Å; E1299-F1302 PolarHBondContact O-N 2.69Å; E1300-F1302 VanDerWaalsContact C-N 3.33Å; E1300-F1302 PolarHBondContact O-N 3.13Å; F1302-I1305 PolarHBondContact O-N 3.37Å; F1302-M1306 HydrophobicContact CD1-CG 4.23Å; F1302-M1306 HydrophobicContact CD2-CG 4.32Å; F1302-M1306 HydrophobicContact CE1-CG 3.76Å; F1302-M1306 HydrophobicContact CE2-CG 3.9Å; F1302-M1306 HydrophobicContact CE2-SD 4.47Å; F1302-M1306 HydrophobicContact CG-CG 4.47Å; F1302-M1306 HydrophobicContact CZ-CG 3.58Å; F1302-M1306 HydrophobicContact CZ-SD 4.42Å; F1302-M1306 WeakPolarHBondContact O-CB 3.39Å; F1302-M1306 WeakPolarHBondContact O-CG 3.18Å; F1302-M1306 PolarHBondContact O-N 3.1Å; F1302-D1341 HydrophobicContact CD1-CB 4.05Å; F1302-D1341 HydrophobicContact CE1-CB 3.46Å; F1302-D1341 VanDerWaalsContact CE1-CB 3.46Å; F1302-D1341 HydrophobicContact CE2-CB 4.37Å; F1302-D1341 HydrophobicContact CZ-CB 3.65Å |
| 1303 | H | 92.1 | Very high | 88.1 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 178.2 | -67.3 | 165.7 | 0 | 0 | 0 | 111.8 | E1299 E1300 H1301 I1305 M1306 E1307 F1344 | E1299-H1303 VanDerWaalsContact O-CG 3.29Å; E1299-H1303 PolarHBondContact O-N 2.91Å; E1300-H1303 PolarHBondContact O-N 2.99Å; H1301-H1303 VanDerWaalsContact C-N 3.33Å; H1303-I1305 VanDerWaalsContact C-N 3.31Å; H1303-I1305 PolarHBondContact O-N 3.2Å; H1303-M1306 PolarHBondContact O-N 3.39Å; H1303-M1306 VanDerWaalsContact O-N 3.15Å; H1303-E1307 WeakPolarHBondContact O-CB 3.48Å; H1303-E1307 PolarHBondContact O-N 3.08Å; H1303-F1344 HydrophobicContact CB-CD1 4.38Å; H1303-F1344 HydrophobicContact CB-CD2 4.5Å; H1303-F1344 HydrophobicContact CB-CE1 3.77Å; H1303-F1344 HydrophobicContact CB-CE2 3.91Å; H1303-F1344 HydrophobicContact CB-CZ 3.51Å; H1303-F1344 AromaticContact CD2-CD1 3.34Å; H1303-F1344 WeakPolarHBondContact CD2-CD1 3.34Å; H1303-F1344 AromaticContact CD2-CD2 3.47Å; H1303-F1344 VanDerWaalsContact CD2-CD2 3.47Å; H1303-F1344 WeakPolarHBondContact CD2-CD2 3.41Å; H1303-F1344 AromaticContact CD2-CE1 3.66Å; H1303-F1344 AromaticContact CD2-CE2 3.77Å; H1303-F1344 AromaticContact CD2-CG 3.24Å; H1303-F1344 WeakPolarHBondContact CD2-CG 3.39Å; H1303-F1344 AromaticContact CD2-CZ 3.87Å; H1303-F1344 AromaticContact CE1-CD2 3.95Å; H1303-F1344 AromaticContact CG-CD2 3.81Å; H1303-F1344 AromaticContact CG-CE1 3.91Å; H1303-F1344 AromaticContact CG-CE2 3.66Å; H1303-F1344 AromaticContact CG-CG 4Å; H1303-F1344 AromaticContact CG-CZ 3.72Å; H1303-F1344 AromaticContact NE2-CD2 3.59Å; H1303-F1344 AromaticContact NE2-CG 3.49Å; H1303-F1344 WeakPolarHBondContact NE2-CG 3.5Å |
| 1304 | S | 92.2 | Very high | 88.6 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | E1300 H1301 F1308 | E1300-S1304 PolarHBondContact O-N 3.04Å; H1301-S1304 PolarHBondContact O-N 3.31Å; S1304-F1308 PolarHBondContact O-N 2.9Å |
| 1305 | I | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 176 | -70.7 | 167.4 | 0 | 0 | 0 | 111.3 | T1251 L1254 V1255 L1290 V1297 H1301 F1302 H1303 F1308 L1309 | T1251-I1305 HydrophobicContact CG2-CG2 4.48Å; T1251-I1305 WeakPolarHBondContact O-CD1 3.42Å; L1254-I1305 HydrophobicContact CB-CG1 4.23Å; L1254-I1305 HydrophobicContact CD1-CG1 4.45Å; L1254-I1305 HydrophobicContact CD1-CG2 4.09Å; V1255-I1305 HydrophobicContact CG1-CD1 4.46Å; V1255-I1305 HydrophobicContact CG1-CG1 3.94Å; V1255-I1305 HydrophobicContact CG2-CD1 4.08Å; V1255-I1305 HydrophobicContact CG2-CG1 4.41Å; L1290-I1305 HydrophobicContact CD1-CD1 4.02Å; L1290-I1305 HydrophobicContact CD1-CG2 3.91Å; V1297-I1305 HydrophobicContact CG2-CD1 4.47Å; H1301-I1305 WeakPolarHBondContact O-CB 3.5Å; H1301-I1305 WeakPolarHBondContact O-CD1 3.29Å; H1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; H1301-I1305 PolarHBondContact O-N 2.96Å; F1302-I1305 PolarHBondContact O-N 3.37Å; H1303-I1305 VanDerWaalsContact C-N 3.31Å; H1303-I1305 PolarHBondContact O-N 3.2Å; I1305-F1308 PolarHBondContact O-N 3.07Å; I1305-L1309 HydrophobicContact CG2-CD1 3.67Å; I1305-L1309 HydrophobicContact CG2-CG 4.36Å; I1305-L1309 WeakPolarHBondContact O-CG 3.5Å; I1305-L1309 PolarHBondContact O-N 3.21Å |
| 1306 | M | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.5 | -30.8 | -174.2 | -68.4 | -52.4 | -54.3 | 0 | 0 | 112.7 | V1283 I1286 I1287 F1302 H1303 F1308 L1309 I1310 F1344 | V1283-M1306 HydrophobicContact CG1-CE 4.21Å; I1286-M1306 HydrophobicContact CG2-SD 4.24Å; I1287-M1306 HydrophobicContact CD1-CE 3.88Å; I1287-M1306 HydrophobicContact CG1-CE 3.68Å; I1287-M1306 HydrophobicContact CG1-SD 4Å; F1302-M1306 HydrophobicContact CD1-CG 4.23Å; F1302-M1306 HydrophobicContact CD2-CG 4.32Å; F1302-M1306 HydrophobicContact CE1-CG 3.76Å; F1302-M1306 HydrophobicContact CE2-CG 3.9Å; F1302-M1306 HydrophobicContact CE2-SD 4.47Å; F1302-M1306 HydrophobicContact CG-CG 4.47Å; F1302-M1306 HydrophobicContact CZ-CG 3.58Å; F1302-M1306 HydrophobicContact CZ-SD 4.42Å; F1302-M1306 WeakPolarHBondContact O-CB 3.39Å; F1302-M1306 WeakPolarHBondContact O-CG 3.18Å; F1302-M1306 PolarHBondContact O-N 3.1Å; H1303-M1306 PolarHBondContact O-N 3.39Å; H1303-M1306 VanDerWaalsContact O-N 3.15Å; M1306-F1308 VanDerWaalsContact C-N 3.28Å; M1306-F1308 PolarHBondContact O-N 3.44Å; M1306-L1309 PolarHBondContact O-N 3.48Å; M1306-I1310 HydrophobicContact CB-CD1 4.33Å; M1306-I1310 HydrophobicContact CE-CD1 3.66Å; M1306-I1310 HydrophobicContact CE-CG1 3.72Å; M1306-I1310 WeakPolarHBondContact O-CB 3.42Å; M1306-I1310 WeakPolarHBondContact O-CG1 3.48Å; M1306-I1310 PolarHBondContact O-N 3.39Å; M1306-F1344 HydrophobicContact CB-CD1 4.44Å; M1306-F1344 HydrophobicContact CB-CE1 4.19Å |
| 1307 | E | 92.8 | Very high | 90.1 | Very high | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.8 | -33 | 173.5 | -173.6 | 165.3 | -144.3 | 0 | 0 | 111.8 | H1303 P1311 F1344 | H1303-E1307 WeakPolarHBondContact O-CB 3.48Å; H1303-E1307 PolarHBondContact O-N 3.08Å; E1307-P1311 WeakPolarHBondContact O-CD 3.42Å; E1307-P1311 WeakPolarHBondContact O-CG 3.11Å; E1307-F1344 HydrophobicContact CB-CZ 4.42Å |
| 1308 | F | 94 | Very high | 90.2 | Very high | 39 Ų | 39 | 61 Ų | 61 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78 | -44.4 | 170.9 | 174.3 | -102.5 | 0 | 0 | 0 | 113.1 | L1254 R1266 F1269 S1304 I1305 M1306 L1312 | L1254-F1308 HydrophobicContact CD1-CD1 3.84Å; L1254-F1308 HydrophobicContact CD1-CE1 4.4Å; L1254-F1308 HydrophobicContact CD2-CD1 3.78Å; L1254-F1308 HydrophobicContact CD2-CE1 3.77Å; L1254-F1308 HydrophobicContact CG-CD1 4.47Å; R1266-F1308 HydrophobicContact CB-CE1 4.23Å; R1266-F1308 HydrophobicContact CB-CE2 4.05Å; R1266-F1308 HydrophobicContact CB-CZ 3.61Å; R1266-F1308 HydrophobicContact CG-CD2 4.34Å; R1266-F1308 HydrophobicContact CG-CE1 4.09Å; R1266-F1308 HydrophobicContact CG-CE2 3.83Å; R1266-F1308 HydrophobicContact CG-CZ 3.7Å; F1269-F1308 HydrophobicContact CB-CE1 3.96Å; S1304-F1308 PolarHBondContact O-N 2.9Å; I1305-F1308 PolarHBondContact O-N 3.07Å; M1306-F1308 VanDerWaalsContact C-N 3.28Å; M1306-F1308 PolarHBondContact O-N 3.44Å; F1308-L1312 HydrophobicContact CD1-CD1 4.32Å; F1308-L1312 HydrophobicContact CE1-CD1 3.71Å; F1308-L1312 HydrophobicContact CE2-CD1 4.45Å; F1308-L1312 HydrophobicContact CZ-CD1 3.78Å |
| 1309 | L | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.6 | -34.5 | -170.5 | -69.9 | 176.8 | 0 | 0 | 0 | 114.6 | T1251 L1254 F1269 L1279 I1286 I1305 M1306 | T1251-L1309 HydrophobicContact CG2-CD1 3.73Å; L1254-L1309 HydrophobicContact CD1-CD1 4.44Å; L1254-L1309 HydrophobicContact CD1-CD2 4.16Å; L1254-L1309 HydrophobicContact CD1-CG 4.17Å; F1269-L1309 HydrophobicContact CB-CD2 3.76Å; F1269-L1309 HydrophobicContact CD1-CD2 3.65Å; F1269-L1309 HydrophobicContact CD2-CD2 4Å; F1269-L1309 HydrophobicContact CE1-CD2 4.26Å; F1269-L1309 HydrophobicContact CG-CD2 3.52Å; L1279-L1309 HydrophobicContact CD1-CD2 4.29Å; I1286-L1309 HydrophobicContact CD1-CD1 4.36Å; I1286-L1309 HydrophobicContact CG2-CD1 4.44Å; I1305-L1309 HydrophobicContact CG2-CD1 3.67Å; I1305-L1309 HydrophobicContact CG2-CG 4.36Å; I1305-L1309 WeakPolarHBondContact O-CG 3.5Å; I1305-L1309 PolarHBondContact O-N 3.21Å; M1306-L1309 PolarHBondContact O-N 3.48Å |
| 1310 | I | 92.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -47 | -175.3 | -73 | 171.9 | 0 | 0 | 0 | 112 | M1306 L1312 I1313 C1345 A1348 M1349 | M1306-I1310 HydrophobicContact CB-CD1 4.33Å; M1306-I1310 HydrophobicContact CE-CD1 3.66Å; M1306-I1310 HydrophobicContact CE-CG1 3.72Å; M1306-I1310 WeakPolarHBondContact O-CB 3.42Å; M1306-I1310 WeakPolarHBondContact O-CG1 3.48Å; M1306-I1310 PolarHBondContact O-N 3.39Å; I1310-L1312 PolarHBondContact O-N 3.42Å; I1310-I1313 PolarHBondContact O-N 2.93Å; I1310-C1345 HydrophobicContact CD1-CB 3.78Å; I1310-C1345 WeakPolarHBondContact CD1-O 3.35Å; I1310-A1348 HydrophobicContact CB-CB 4.43Å; I1310-A1348 HydrophobicContact CD1-CB 3.98Å; I1310-A1348 HydrophobicContact CG2-CB 4.3Å; I1310-M1349 HydrophobicContact CG2-CB 4.42Å; I1310-M1349 HydrophobicContact CG2-CG 3.55Å |
| 1311 | P | 90.2 | Very high | 90.4 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.8 | 177.5 | -28 | 37.8 | 0 | 0 | 0 | 114.2 | E1307 I1313 | E1307-P1311 WeakPolarHBondContact O-CD 3.42Å; E1307-P1311 WeakPolarHBondContact O-CG 3.11Å; P1311-I1313 PolarHBondContact O-N 3.43Å; P1311-I1313 VanDerWaalsContact O-N 3.16Å |
| 1312 | L | 90.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.9 | 175.7 | -64.7 | 178 | 0 | 0 | 0 | 113.7 | F1269 L1279 F1308 I1310 V1314 | F1269-L1312 HydrophobicContact CB-CD1 4.19Å; L1279-L1312 HydrophobicContact CD2-CB 3.72Å; L1279-L1312 HydrophobicContact CD2-CD1 4.3Å; F1308-L1312 HydrophobicContact CD1-CD1 4.32Å; F1308-L1312 HydrophobicContact CE1-CD1 3.71Å; F1308-L1312 HydrophobicContact CE2-CD1 4.45Å; F1308-L1312 HydrophobicContact CZ-CD1 3.78Å; I1310-L1312 PolarHBondContact O-N 3.42Å; L1312-V1314 PolarHBondContact O-N 2.87Å |
| 1313 | I | 88.8 | Confident | 90.3 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | trans | -88.4 | 85.2 | 175.8 | -51.3 | 173.9 | 0 | 0 | 0 | 108.8 | L1279 V1283 I1310 P1311 L1318 C1319 L1322 | L1279-I1313 HydrophobicContact CD2-CG1 4.12Å; L1279-I1313 HydrophobicContact CG-CG1 4.32Å; V1283-I1313 HydrophobicContact CG2-CD1 3.84Å; I1310-I1313 PolarHBondContact O-N 2.93Å; P1311-I1313 PolarHBondContact O-N 3.43Å; P1311-I1313 VanDerWaalsContact O-N 3.16Å; I1313-L1318 HydrophobicContact CG2-CB 3.97Å; I1313-L1318 HydrophobicContact CG2-CD1 4.5Å; I1313-C1319 PolarHBondContact O-SG 3.34Å; I1313-L1322 HydrophobicContact CD1-CD2 3.7Å | ||
| 1314 | V | 83.9 | Confident | 90.3 | Very high | 125 Ų | 125 | 51.1 Ų | 51.1 | 76% | 0.758 | 25% | 0.254 | S | S | * | . | trans | -79.3 | -31.9 | -172.5 | -175.7 | 0 | 0 | 0 | 0 | 113.3 | L1312 E1316 | L1312-V1314 PolarHBondContact O-N 2.87Å; V1314-E1316 PolarHBondContact O-N 3.32Å; V1314-E1316 VanDerWaalsContact O-N 3.08Å | ||
| 1315 | K | 86.2 | Confident | 90.2 | Very high | 115 Ų | 115 | 53 Ų | 53 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -68 | 111.4 | -172.6 | -68.3 | 178.5 | -174.5 | 164.1 | 0 | 111.2 | N1277 R1317 L1318 C1319 | N1277-K1315 PolarHBondContact OD1-NZ 3.18Å; K1315-R1317 VanDerWaalsContact C-N 3.29Å; K1315-R1317 PolarHBondContact O-N 3.47Å; K1315-R1317 VanDerWaalsContact O-N 3.11Å; K1315-L1318 HydrophobicContact CB-CB 4.28Å; K1315-L1318 HydrophobicContact CB-CD1 3.96Å; K1315-L1318 HydrophobicContact CB-CG 3.93Å; K1315-L1318 HydrophobicContact CD-CD1 3.93Å; K1315-L1318 HydrophobicContact CD-CG 4.4Å; K1315-L1318 HydrophobicContact CG-CD1 4.45Å; K1315-L1318 WeakPolarHBondContact O-CA 3.32Å; K1315-L1318 WeakPolarHBondContact O-CB 3.46Å; K1315-L1318 PolarHBondContact O-N 3.46Å; K1315-C1319 PolarHBondContact O-N 3.39Å; K1315-C1319 VanDerWaalsContact O-N 3.15Å; K1315-C1319 PolarHBondContact O-SG 2.97Å | ||
| 1316 | E | 83.6 | Confident | 90.1 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -49.6 | -42.5 | -177.1 | -165.1 | -174.4 | -177.4 | 0 | 0 | 113.8 | V1314 L1318 C1319 E1320 S1352 | V1314-E1316 PolarHBondContact O-N 3.32Å; V1314-E1316 VanDerWaalsContact O-N 3.08Å; E1316-L1318 VanDerWaalsContact C-N 3.31Å; E1316-L1318 PolarHBondContact O-N 3.33Å; E1316-C1319 WeakPolarHBondContact O-CB 3.38Å; E1316-C1319 PolarHBondContact O-N 2.72Å; E1316-C1319 VanDerWaalsContact O-N 3.16Å; E1316-E1320 WeakPolarHBondContact O-CG 3.29Å; E1316-E1320 PolarHBondContact O-N 3.29Å; E1316-S1352 WeakPolarHBondContact OE1-CB 3.37Å; E1316-S1352 PolarHBondContact OE1-OG 2.91Å |
| 1317 | R | 87.2 | Confident | 90.1 | Very high | 202 Ų | 202 | 53.1 Ų | 53.1 | 76% | 0.762 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.9 | -37.1 | 176.1 | -69.5 | -175.2 | -177.3 | 166.3 | 0.9 | 113.1 | K1315 T1321 | K1315-R1317 VanDerWaalsContact C-N 3.29Å; K1315-R1317 PolarHBondContact O-N 3.47Å; K1315-R1317 VanDerWaalsContact O-N 3.11Å; R1317-T1321 WeakPolarHBondContact O-CG2 3.38Å; R1317-T1321 PolarHBondContact O-N 2.96Å; R1317-T1321 PolarHBondContact O-OG1 2.92Å |
| 1318 | L | 88 | Confident | 90 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 176.4 | -62.8 | -176.8 | 0 | 0 | 0 | 110.1 | N1277 Y1280 I1313 K1315 E1316 E1320 T1321 L1322 | N1277-L1318 HydrophobicContact CB-CD1 4.39Å; Y1280-L1318 HydrophobicContact CD1-CD2 4.18Å; Y1280-L1318 HydrophobicContact CD2-CB 3.97Å; Y1280-L1318 HydrophobicContact CD2-CD2 4.43Å; Y1280-L1318 HydrophobicContact CE1-CD2 4.38Å; Y1280-L1318 HydrophobicContact CE2-CB 4.37Å; Y1280-L1318 WeakPolarHBondContact CE2-O 3.25Å; Y1280-L1318 HydrophobicContact CG-CB 4.34Å; Y1280-L1318 HydrophobicContact CG-CD1 4.39Å; Y1280-L1318 HydrophobicContact CG-CD2 4.2Å; I1313-L1318 HydrophobicContact CG2-CB 3.97Å; I1313-L1318 HydrophobicContact CG2-CD1 4.5Å; K1315-L1318 HydrophobicContact CB-CB 4.28Å; K1315-L1318 HydrophobicContact CB-CD1 3.96Å; K1315-L1318 HydrophobicContact CB-CG 3.93Å; K1315-L1318 HydrophobicContact CD-CD1 3.93Å; K1315-L1318 HydrophobicContact CD-CG 4.4Å; K1315-L1318 HydrophobicContact CG-CD1 4.45Å; K1315-L1318 WeakPolarHBondContact O-CA 3.32Å; K1315-L1318 WeakPolarHBondContact O-CB 3.46Å; K1315-L1318 PolarHBondContact O-N 3.46Å; E1316-L1318 VanDerWaalsContact C-N 3.31Å; E1316-L1318 PolarHBondContact O-N 3.33Å; L1318-E1320 PolarHBondContact O-N 3.17Å; L1318-T1321 PolarHBondContact O-N 3.37Å; L1318-T1321 PolarHBondContact O-OG1 3.41Å; L1318-L1322 WeakPolarHBondContact O-CB 3.15Å; L1318-L1322 PolarHBondContact O-N 2.79Å |
| 1319 | C | 89.2 | Confident | 89.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | I1313 K1315 E1316 T1321 L1322 V1323 M1355 | I1313-C1319 PolarHBondContact O-SG 3.34Å; K1315-C1319 PolarHBondContact O-N 3.39Å; K1315-C1319 VanDerWaalsContact O-N 3.15Å; K1315-C1319 PolarHBondContact O-SG 2.97Å; E1316-C1319 WeakPolarHBondContact O-CB 3.38Å; E1316-C1319 PolarHBondContact O-N 2.72Å; E1316-C1319 VanDerWaalsContact O-N 3.16Å; C1319-T1321 PolarHBondContact O-N 2.82Å; C1319-L1322 WeakPolarHBondContact O-CB 3.34Å; C1319-L1322 PolarHBondContact O-N 2.78Å; C1319-L1322 VanDerWaalsContact O-N 3.16Å; C1319-V1323 VanDerWaalsContact O-CG2 3.31Å; C1319-V1323 WeakPolarHBondContact O-CG2 3.31Å; C1319-V1323 PolarHBondContact O-N 2.84Å; C1319-M1355 HydrophobicContact CB-CE 3.61Å; C1319-M1355 HydrophobicContact CB-CG 4.48Å; C1319-M1355 HydrophobicContact CB-SD 3.64Å |
| 1320 | E | 89.7 | Confident | 89.8 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -51.2 | 174.7 | -72.2 | 175.5 | -163.6 | 0 | 0 | 112 | E1316 L1318 L1322 V1323 E1324 R1354 M1355 | E1316-E1320 WeakPolarHBondContact O-CG 3.29Å; E1316-E1320 PolarHBondContact O-N 3.29Å; L1318-E1320 PolarHBondContact O-N 3.17Å; E1320-L1322 VanDerWaalsContact C-N 3.27Å; E1320-L1322 PolarHBondContact O-N 3.4Å; E1320-V1323 WeakPolarHBondContact O-CB 3.41Å; E1320-V1323 PolarHBondContact O-N 3.31Å; E1320-E1324 PolarHBondContact O-N 3.4Å; E1320-R1354 HydrophobicContact CG-CB 4.34Å; E1320-R1354 WeakPolarHBondContact OE1-CB 3.42Å; E1320-R1354 WeakPolarHBondContact OE1-CD 3.44Å; E1320-M1355 HydrophobicContact CB-CG 4.49Å; E1320-M1355 HydrophobicContact CG-CG 3.66Å |
| 1321 | T | 90.5 | Very high | 89.7 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 31% | 0.307 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.2 | -27 | 178.6 | 62.4 | 0 | 0 | 0 | 0 | 113 | Y1280 R1317 L1318 C1319 K1325 | Y1280-T1321 VanDerWaalsContact CE2-OG1 3.22Å; Y1280-T1321 WeakPolarHBondContact CE2-OG1 3.49Å; Y1280-T1321 VanDerWaalsContact OH-CB 3.31Å; Y1280-T1321 WeakPolarHBondContact OH-CB 3.33Å; Y1280-T1321 PolarHBondContact OH-OG1 2.73Å; R1317-T1321 WeakPolarHBondContact O-CG2 3.38Å; R1317-T1321 PolarHBondContact O-N 2.96Å; R1317-T1321 PolarHBondContact O-OG1 2.92Å; L1318-T1321 PolarHBondContact O-N 3.37Å; L1318-T1321 PolarHBondContact O-OG1 3.41Å; C1319-T1321 PolarHBondContact O-N 2.82Å; T1321-K1325 WeakPolarHBondContact O-CB 3.17Å; T1321-K1325 WeakPolarHBondContact O-CG 3.18Å; T1321-K1325 PolarHBondContact O-N 2.95Å |
| 1322 | L | 91.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.4 | -43.9 | 175.3 | -172.5 | 61 | 0 | 0 | 0 | 110.7 | Y1280 V1283 P1284 I1313 L1318 C1319 E1320 E1324 K1325 L1326 M1349 | Y1280-L1322 HydrophobicContact CD2-CB 4.28Å; Y1280-L1322 HydrophobicContact CD2-CD1 4.44Å; Y1280-L1322 HydrophobicContact CE2-CB 3.95Å; Y1280-L1322 HydrophobicContact CE2-CD1 4.36Å; V1283-L1322 HydrophobicContact CG1-CD1 4.1Å; V1283-L1322 HydrophobicContact CG1-CD2 4.31Å; P1284-L1322 HydrophobicContact CG-CD1 4.43Å; I1313-L1322 HydrophobicContact CD1-CD2 3.7Å; L1318-L1322 WeakPolarHBondContact O-CB 3.15Å; L1318-L1322 PolarHBondContact O-N 2.79Å; C1319-L1322 WeakPolarHBondContact O-CB 3.34Å; C1319-L1322 PolarHBondContact O-N 2.78Å; C1319-L1322 VanDerWaalsContact O-N 3.16Å; E1320-L1322 VanDerWaalsContact C-N 3.27Å; E1320-L1322 PolarHBondContact O-N 3.4Å; L1322-E1324 VanDerWaalsContact C-N 3.28Å; L1322-E1324 PolarHBondContact O-N 3.42Å; L1322-K1325 PolarHBondContact O-N 2.92Å; L1322-L1326 HydrophobicContact CD1-CG 4.47Å; L1322-L1326 HydrophobicContact CG-CD1 4.25Å; L1322-L1326 HydrophobicContact CG-CG 4.43Å; L1322-L1326 WeakPolarHBondContact O-CB 3.47Å; L1322-L1326 VanDerWaalsContact O-CG 3.29Å; L1322-L1326 WeakPolarHBondContact O-CG 3.28Å; L1322-L1326 PolarHBondContact O-N 3.26Å; L1322-M1349 HydrophobicContact CD2-SD 4.22Å; L1322-M1349 HydrophobicContact CG-SD 4.48Å |
| 1323 | V | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.5 | -49 | 171.7 | 174 | 0 | 0 | 0 | 0 | 110 | C1319 E1320 L1326 C1327 L1346 M1349 F1351 M1355 V1358 L1359 | C1319-V1323 VanDerWaalsContact O-CG2 3.31Å; C1319-V1323 WeakPolarHBondContact O-CG2 3.31Å; C1319-V1323 PolarHBondContact O-N 2.84Å; E1320-V1323 WeakPolarHBondContact O-CB 3.41Å; E1320-V1323 PolarHBondContact O-N 3.31Å; V1323-L1326 PolarHBondContact O-N 2.94Å; V1323-C1327 WeakPolarHBondContact O-CB 3.45Å; V1323-C1327 PolarHBondContact O-N 3.47Å; V1323-C1327 PolarHBondContact O-SG 3Å; V1323-L1346 HydrophobicContact CG1-CD2 4.32Å; V1323-M1349 HydrophobicContact CB-CE 4.17Å; V1323-M1349 HydrophobicContact CG2-CE 3.27Å; V1323-M1349 HydrophobicContact CG2-SD 3.87Å; V1323-F1351 HydrophobicContact CG2-CE1 4.37Å; V1323-M1355 HydrophobicContact CG2-CB 4.39Å; V1323-M1355 HydrophobicContact CG2-CE 3.93Å; V1323-V1358 HydrophobicContact CB-CG1 4.42Å; V1323-V1358 HydrophobicContact CG1-CG1 4.12Å; V1323-L1359 HydrophobicContact CG1-CB 4.04Å; V1323-L1359 HydrophobicContact CG1-CD1 4.05Å |
| 1324 | E | 92 | Very high | 89.3 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 179.6 | -170.8 | 177.5 | -170.9 | 0 | 0 | 112.2 | E1320 L1322 L1326 C1327 A1328 V1358 | E1320-E1324 PolarHBondContact O-N 3.4Å; L1322-E1324 VanDerWaalsContact C-N 3.28Å; L1322-E1324 PolarHBondContact O-N 3.42Å; E1324-L1326 PolarHBondContact O-N 3.41Å; E1324-C1327 PolarHBondContact O-N 2.99Å; E1324-A1328 WeakPolarHBondContact O-CB 3.29Å; E1324-A1328 PolarHBondContact O-N 2.78Å; E1324-V1358 HydrophobicContact CB-CG1 4Å |
| 1325 | K | 90.6 | Very high | 89.6 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 177 | -77.4 | 177.4 | 175.3 | 175.3 | 0 | 112.8 | Y1280 T1321 L1322 A1328 R1329 | Y1280-K1325 VanDerWaalsContact OH-CE 3.28Å; Y1280-K1325 WeakPolarHBondContact OH-CE 3.44Å; Y1280-K1325 PolarHBondContact OH-NZ 3.43Å; T1321-K1325 WeakPolarHBondContact O-CB 3.17Å; T1321-K1325 WeakPolarHBondContact O-CG 3.18Å; T1321-K1325 PolarHBondContact O-N 2.95Å; L1322-K1325 PolarHBondContact O-N 2.92Å; K1325-A1328 PolarHBondContact O-N 2.74Å; K1325-R1329 WeakPolarHBondContact O-CG 3.41Å; K1325-R1329 PolarHBondContact O-N 2.84Å; K1325-R1329 VanDerWaalsContact O-N 3.08Å |
| 1326 | L | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 175.3 | -68.5 | 176.9 | 0 | 0 | 0 | 111.2 | I1287 L1322 V1323 E1324 A1328 R1329 F1330 L1342 C1345 L1346 M1349 | I1287-L1326 HydrophobicContact CD1-CD2 3.52Å; L1322-L1326 HydrophobicContact CD1-CG 4.47Å; L1322-L1326 HydrophobicContact CG-CD1 4.25Å; L1322-L1326 HydrophobicContact CG-CG 4.43Å; L1322-L1326 WeakPolarHBondContact O-CB 3.47Å; L1322-L1326 VanDerWaalsContact O-CG 3.29Å; L1322-L1326 WeakPolarHBondContact O-CG 3.28Å; L1322-L1326 PolarHBondContact O-N 3.26Å; V1323-L1326 PolarHBondContact O-N 2.94Å; E1324-L1326 PolarHBondContact O-N 3.41Å; L1326-A1328 VanDerWaalsContact C-N 3.35Å; L1326-A1328 PolarHBondContact O-N 3.42Å; L1326-R1329 WeakPolarHBondContact O-CB 3.41Å; L1326-R1329 PolarHBondContact O-N 2.9Å; L1326-R1329 VanDerWaalsContact O-N 3.12Å; L1326-F1330 WeakPolarHBondContact O-CD2 3.18Å; L1326-F1330 PolarHBondContact O-N 3.42Å; L1326-L1342 HydrophobicContact CD2-CD2 3.79Å; L1326-C1345 HydrophobicContact CD1-CB 4.14Å; L1326-L1346 HydrophobicContact CB-CD2 4.07Å; L1326-L1346 HydrophobicContact CD1-CD2 3.96Å; L1326-L1346 HydrophobicContact CD1-CG 4.43Å; L1326-M1349 HydrophobicContact CD1-CE 3.93Å |
| 1327 | C | 93 | Very high | 90 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 173.6 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | V1323 E1324 R1329 F1330 N1362 A1365 | V1323-C1327 WeakPolarHBondContact O-CB 3.45Å; V1323-C1327 PolarHBondContact O-N 3.47Å; V1323-C1327 PolarHBondContact O-SG 3Å; E1324-C1327 PolarHBondContact O-N 2.99Å; C1327-R1329 PolarHBondContact O-N 2.84Å; C1327-F1330 WeakPolarHBondContact O-CB 3.47Å; C1327-F1330 PolarHBondContact O-N 3.15Å; C1327-N1362 HydrophobicContact CB-CB 3.67Å; C1327-A1365 HydrophobicContact CB-CB 4.38Å; C1327-A1365 WeakPolarHBondContact O-CB 3.48Å |
| 1328 | A | 90.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 37% | 0.372 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1324 K1325 L1326 R1331 | E1324-A1328 WeakPolarHBondContact O-CB 3.29Å; E1324-A1328 PolarHBondContact O-N 2.78Å; K1325-A1328 PolarHBondContact O-N 2.74Å; L1326-A1328 VanDerWaalsContact C-N 3.35Å; L1326-A1328 PolarHBondContact O-N 3.42Å; A1328-R1331 WeakPolarHBondContact O-CB 3.25Å; A1328-R1331 PolarHBondContact O-N 3.49Å |
| 1329 | R | 90.5 | Very high | 90.4 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -33.3 | 177.9 | -83.9 | 168.7 | 163.6 | -123.4 | -4 | 114.1 | P1284 D1285 S1288 K1325 L1326 C1327 R1331 T1332 T1333 L1342 | P1284-R1329 VanDerWaalsContact C-CZ 3.45Å; P1284-R1329 VanDerWaalsContact CB-CZ 3.48Å; P1284-R1329 PolarHBondContact O-NH1 3.32Å; P1284-R1329 PolarHBondContact O-NH2 3.28Å; D1285-R1329 IonicContact OD1-NH2 3.65Å; S1288-R1329 PolarHBondContact OG-NH1 3.4Å; S1288-R1329 PolarHBondContact OG-NH2 3.41Å; K1325-R1329 WeakPolarHBondContact O-CG 3.41Å; K1325-R1329 PolarHBondContact O-N 2.84Å; K1325-R1329 VanDerWaalsContact O-N 3.08Å; L1326-R1329 WeakPolarHBondContact O-CB 3.41Å; L1326-R1329 PolarHBondContact O-N 2.9Å; L1326-R1329 VanDerWaalsContact O-N 3.12Å; C1327-R1329 PolarHBondContact O-N 2.84Å; R1329-R1331 PolarHBondContact O-N 3.38Å; R1329-R1331 VanDerWaalsContact O-N 3.14Å; R1329-T1332 PolarHBondContact O-N 3.47Å; R1329-T1332 PolarHBondContact O-OG1 3.47Å; R1329-T1333 PolarHBondContact O-N 3.04Å; R1329-T1333 VanDerWaalsContact O-N 3.09Å; R1329-T1333 PolarHBondContact O-OG1 3.48Å; R1329-L1342 HydrophobicContact CB-CD1 4.21Å; R1329-L1342 HydrophobicContact CB-CD2 4.17Å |
| 1330 | F | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.9 | -31.9 | 172.9 | -84.1 | -82.1 | 0 | 0 | 0 | 113.1 | L1326 C1327 T1332 T1333 W1339 L1342 L1346 A1365 F1366 K1369 | L1326-F1330 WeakPolarHBondContact O-CD2 3.18Å; L1326-F1330 PolarHBondContact O-N 3.42Å; C1327-F1330 WeakPolarHBondContact O-CB 3.47Å; C1327-F1330 PolarHBondContact O-N 3.15Å; F1330-T1332 VanDerWaalsContact C-N 3.26Å; F1330-T1332 PolarHBondContact O-N 2.93Å; F1330-T1333 PolarHBondContact O-OG1 3.25Å; F1330-W1339 HydrophobicContact CE1-CB 4.12Å; F1330-L1342 HydrophobicContact CD1-CB 4.49Å; F1330-L1342 HydrophobicContact CD1-CD1 4.09Å; F1330-L1342 HydrophobicContact CD2-CB 4.22Å; F1330-L1342 HydrophobicContact CD2-CD1 4.1Å; F1330-L1342 HydrophobicContact CE1-CB 3.88Å; F1330-L1342 HydrophobicContact CE1-CD1 4.28Å; F1330-L1342 HydrophobicContact CE2-CB 3.56Å; F1330-L1342 HydrophobicContact CE2-CD1 4.28Å; F1330-L1342 HydrophobicContact CE2-CG 4.48Å; F1330-L1342 HydrophobicContact CG-CD1 4.01Å; F1330-L1342 HydrophobicContact CZ-CB 3.37Å; F1330-L1342 HydrophobicContact CZ-CD1 4.38Å; F1330-L1346 HydrophobicContact CE2-CD1 3.79Å; F1330-L1346 HydrophobicContact CZ-CD1 4.4Å; F1330-A1365 WeakPolarHBondContact CB-O 3.32Å; F1330-F1366 HydrophobicContact CB-CB 4.16Å; F1330-F1366 HydrophobicContact CD1-CB 4.08Å; F1330-F1366 HydrophobicContact CD2-CB 4.08Å; F1330-F1366 HydrophobicContact CE1-CB 4.46Å; F1330-F1366 HydrophobicContact CE2-CB 4.46Å; F1330-F1366 HydrophobicContact CG-CB 3.86Å; F1330-K1369 HydrophobicContact CD1-CG 4.11Å |
| 1331 | R | 89.6 | Confident | 90.7 | Very high | 166 Ų | 166 | 51.3 Ų | 51.3 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.7 | 176.6 | -59 | -178.4 | 179.6 | 158.8 | 4.4 | 113.1 | A1328 R1329 A1365 | A1328-R1331 WeakPolarHBondContact O-CB 3.25Å; A1328-R1331 PolarHBondContact O-N 3.49Å; R1329-R1331 PolarHBondContact O-N 3.38Å; R1329-R1331 VanDerWaalsContact O-N 3.14Å; R1331-A1365 HydrophobicContact CG-CB 3.99Å |
| 1332 | T | 87.9 | Confident | 90.8 | Very high | 109 Ų | 109 | 49.1 Ų | 49.1 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -22.6 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | R1329 F1330 | R1329-T1332 PolarHBondContact O-N 3.47Å; R1329-T1332 PolarHBondContact O-OG1 3.47Å; F1330-T1332 VanDerWaalsContact C-N 3.26Å; F1330-T1332 PolarHBondContact O-N 2.93Å |
| 1333 | T | 88.7 | Confident | 91 | Very high | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | trans | -84.7 | 138.4 | -179.7 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | R1329 F1330 Q1338 W1339 L1342 | R1329-T1333 PolarHBondContact O-N 3.04Å; R1329-T1333 VanDerWaalsContact O-N 3.09Å; R1329-T1333 PolarHBondContact O-OG1 3.48Å; F1330-T1333 PolarHBondContact O-OG1 3.25Å; T1333-Q1338 HydrophobicContact CG2-CB 3.94Å; T1333-Q1338 HydrophobicContact CG2-CG 4.5Å; T1333-W1339 PolarHBondContact O-NE1 3.16Å; T1333-W1339 VanDerWaalsContact OG1-CD1 3.31Å; T1333-W1339 PolarHBondContact OG1-NE1 3.15Å; T1333-L1342 HydrophobicContact CG2-CD1 4.04Å | ||
| 1334 | T | 86 | Confident | 91.1 | Very high | 116 Ų | 116 | 51.1 Ų | 51.1 | 71% | 0.712 | 25% | 0.25 | S | C | * | . | trans | -118.5 | -13.4 | -176.7 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | W1339 | T1334-W1339 WeakPolarHBondContact O-CZ2 3.35Š| ||
| 1335 | L | 88.8 | Confident | 91.2 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -92.2 | 135.8 | -179.7 | -65.9 | 170.4 | 0 | 0 | 0 | 110.2 | P1293 R1337 Q1338 W1339 | P1293-L1335 HydrophobicContact CG-CD1 4Å; L1335-R1337 VanDerWaalsContact C-N 3.28Å; L1335-R1337 PolarHBondContact O-N 2.97Å; L1335-Q1338 HydrophobicContact CB-CB 4.43Å; L1335-Q1338 HydrophobicContact CB-CG 4.03Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.35Å; L1335-Q1338 PolarHBondContact O-N 3.4Å; L1335-W1339 PolarHBondContact O-N 3.06Å |
| 1336 | E | 88.7 | Confident | 91.3 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 178.5 | -161.1 | -173.2 | 131.5 | 0 | 0 | 112.5 | Q1338 W1339 R1340 V1372 | E1336-Q1338 VanDerWaalsContact C-N 3.3Å; E1336-Q1338 PolarHBondContact O-N 3.29Å; E1336-W1339 HydrophobicContact CB-CE3 4.16Å; E1336-W1339 HydrophobicContact CB-CZ3 4.36Å; E1336-W1339 HydrophobicContact CG-CE3 4.05Å; E1336-W1339 HydrophobicContact CG-CZ3 4.37Å; E1336-W1339 WeakPolarHBondContact O-CB 2.93Å; E1336-W1339 PolarHBondContact O-N 3.45Å; E1336-R1340 PolarHBondContact O-N 3.47Å; E1336-R1340 IonicContact OE1-NH1 3.5Å; E1336-R1340 PolarHBondContact OE1-NH1 2.92Å; E1336-V1372 HydrophobicContact CG-CG1 4.12Å; E1336-V1372 HydrophobicContact CG-CG2 3.87Å |
| 1337 | R | 89.8 | Confident | 91.4 | Very high | 38 Ų | 38 | 44 Ų | 44 | 14% | 0.143 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54 | -45.8 | 173 | 172 | 59.9 | -170.7 | -75.8 | -10 | 112.1 | V1297 E1299 L1335 W1339 R1340 D1341 | V1297-R1337 PolarHBondContact O-NH2 2.97Å; V1297-R1337 VanDerWaalsContact O-NH2 3.09Å; E1299-R1337 IonicContact OE2-NE 3.29Å; L1335-R1337 VanDerWaalsContact C-N 3.28Å; L1335-R1337 PolarHBondContact O-N 2.97Å; R1337-W1339 VanDerWaalsContact C-N 3.29Å; R1337-W1339 PolarHBondContact O-N 3.01Å; R1337-R1340 PolarHBondContact O-N 2.88Å; R1337-D1341 IonicContact CZ-OD1 3.7Å; R1337-D1341 IonicContact CZ-OD2 3.07Å; R1337-D1341 VanDerWaalsContact NE-CG 3.31Å; R1337-D1341 IonicContact NE-OD1 3.44Å; R1337-D1341 PolarHBondContact NE-OD1 2.85Å; R1337-D1341 IonicContact NE-OD2 3.02Å; R1337-D1341 PolarHBondContact NE-OD2 3.32Å; R1337-D1341 IonicContact NH2-OD1 3.81Å; R1337-D1341 IonicContact NH2-OD2 2.96Å; R1337-D1341 VanDerWaalsContact O-CG 3.29Å; R1337-D1341 PolarHBondContact O-N 3.14Å |
| 1338 | Q | 91 | Very high | 91.2 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -31.6 | 179.6 | -64.5 | 177 | -37.3 | 0 | 0 | 111.9 | T1333 L1335 E1336 L1342 | T1333-Q1338 HydrophobicContact CG2-CB 3.94Å; T1333-Q1338 HydrophobicContact CG2-CG 4.5Å; L1335-Q1338 HydrophobicContact CB-CB 4.43Å; L1335-Q1338 HydrophobicContact CB-CG 4.03Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.35Å; L1335-Q1338 PolarHBondContact O-N 3.4Å; E1336-Q1338 VanDerWaalsContact C-N 3.3Å; E1336-Q1338 PolarHBondContact O-N 3.29Å; Q1338-L1342 WeakPolarHBondContact O-CB 3.24Å; Q1338-L1342 WeakPolarHBondContact O-CD1 3.44Å; Q1338-L1342 WeakPolarHBondContact O-CG 3.3Å; Q1338-L1342 PolarHBondContact O-N 3.39Å |
| 1339 | W | 93 | Very high | 91.1 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 174.9 | -54.7 | -26.3 | 0 | 0 | 0 | 111.2 | F1330 T1333 T1334 L1335 E1336 R1337 L1342 S1343 K1369 V1372 V1375 | F1330-W1339 HydrophobicContact CE1-CB 4.12Å; T1333-W1339 PolarHBondContact O-NE1 3.16Å; T1333-W1339 VanDerWaalsContact OG1-CD1 3.31Å; T1333-W1339 PolarHBondContact OG1-NE1 3.15Å; T1334-W1339 WeakPolarHBondContact O-CZ2 3.35Å; L1335-W1339 PolarHBondContact O-N 3.06Å; E1336-W1339 HydrophobicContact CB-CE3 4.16Å; E1336-W1339 HydrophobicContact CB-CZ3 4.36Å; E1336-W1339 HydrophobicContact CG-CE3 4.05Å; E1336-W1339 HydrophobicContact CG-CZ3 4.37Å; E1336-W1339 WeakPolarHBondContact O-CB 2.93Å; E1336-W1339 PolarHBondContact O-N 3.45Å; R1337-W1339 VanDerWaalsContact C-N 3.29Å; R1337-W1339 PolarHBondContact O-N 3.01Å; W1339-L1342 PolarHBondContact O-N 3.36Å; W1339-S1343 WeakPolarHBondContact O-CB 3.29Å; W1339-S1343 PolarHBondContact O-N 2.97Å; W1339-S1343 PolarHBondContact O-OG 2.82Å; W1339-K1369 HydrophobicContact CD2-CB 4.42Å; W1339-K1369 HydrophobicContact CD2-CD 3.77Å; W1339-K1369 HydrophobicContact CD2-CG 4.21Å; W1339-K1369 HydrophobicContact CE3-CB 4.5Å; W1339-K1369 HydrophobicContact CE3-CD 4.04Å; W1339-K1369 HydrophobicContact CG-CB 4.5Å; W1339-K1369 HydrophobicContact CG-CD 4.34Å; W1339-K1369 HydrophobicContact CG-CG 4.31Å; W1339-K1369 HydrophobicContact CH2-CD 4.05Å; W1339-K1369 HydrophobicContact CZ2-CD 3.74Å; W1339-K1369 HydrophobicContact CZ3-CD 4.18Å; W1339-V1372 HydrophobicContact CE3-CG2 4.04Å; W1339-V1372 HydrophobicContact CZ3-CG2 4.33Å; W1339-V1375 HydrophobicContact CB-CG2 4.04Å |
| 1340 | R | 92.1 | Very high | 90.9 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.1 | -66.4 | -164.2 | -60.7 | -100.5 | 4.6 | 112 | E1299 E1336 R1337 L1342 S1343 F1344 V1372 E1374 V1375 | E1299-R1340 IonicContact OE1-CZ 2.62Å; E1299-R1340 IonicContact OE1-NE 3.66Å; E1299-R1340 PolarHBondContact OE1-NE 3.09Å; E1299-R1340 IonicContact OE1-NH2 2.85Å; E1299-R1340 IonicContact OE2-NE 3.66Å; E1299-R1340 IonicContact OE2-NH2 3.93Å; E1299-R1340 PolarHBondContact OE2-NH2 3.01Å; E1336-R1340 PolarHBondContact O-N 3.47Å; E1336-R1340 IonicContact OE1-NH1 3.5Å; E1336-R1340 PolarHBondContact OE1-NH1 2.92Å; R1337-R1340 PolarHBondContact O-N 2.88Å; R1340-L1342 PolarHBondContact O-N 3.45Å; R1340-S1343 WeakPolarHBondContact O-CB 3.37Å; R1340-S1343 PolarHBondContact O-N 2.99Å; R1340-S1343 VanDerWaalsContact O-N 3.17Å; R1340-F1344 PolarHBondContact O-N 2.94Å; R1340-V1372 HydrophobicContact CG-CG1 4.33Å; R1340-E1374 HydrophobicContact CG-CB 4.07Å; R1340-V1375 HydrophobicContact CG-CG2 4.31Å |
| 1341 | D | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.3 | -72.1 | -8.7 | 0 | 0 | 0 | 111.7 | S1291 F1302 R1337 S1343 F1344 C1345 | S1291-D1341 VanDerWaalsContact CA-OD2 3.28Å; S1291-D1341 WeakPolarHBondContact CA-OD2 3Å; S1291-D1341 WeakPolarHBondContact CB-OD2 3.11Å; F1302-D1341 HydrophobicContact CD1-CB 4.05Å; F1302-D1341 HydrophobicContact CE1-CB 3.46Å; F1302-D1341 VanDerWaalsContact CE1-CB 3.46Å; F1302-D1341 HydrophobicContact CE2-CB 4.37Å; F1302-D1341 HydrophobicContact CZ-CB 3.65Å; R1337-D1341 IonicContact CZ-OD1 3.7Å; R1337-D1341 IonicContact CZ-OD2 3.07Å; R1337-D1341 VanDerWaalsContact NE-CG 3.31Å; R1337-D1341 IonicContact NE-OD1 3.44Å; R1337-D1341 PolarHBondContact NE-OD1 2.85Å; R1337-D1341 IonicContact NE-OD2 3.02Å; R1337-D1341 PolarHBondContact NE-OD2 3.32Å; R1337-D1341 IonicContact NH2-OD1 3.81Å; R1337-D1341 IonicContact NH2-OD2 2.96Å; R1337-D1341 VanDerWaalsContact O-CG 3.29Å; R1337-D1341 PolarHBondContact O-N 3.14Å; D1341-S1343 VanDerWaalsContact C-N 3.34Å; D1341-S1343 PolarHBondContact O-N 2.76Å; D1341-F1344 PolarHBondContact O-N 2.9Å; D1341-C1345 PolarHBondContact O-N 3.47Å; D1341-C1345 PolarHBondContact O-SG 2.83Å |
| 1342 | L | 94 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.4 | -74 | 170.2 | 0 | 0 | 0 | 112.1 | I1287 L1326 R1329 F1330 T1333 Q1338 W1339 R1340 C1345 L1346 | I1287-L1342 HydrophobicContact CG2-CD2 3.99Å; L1326-L1342 HydrophobicContact CD2-CD2 3.79Å; R1329-L1342 HydrophobicContact CB-CD1 4.21Å; R1329-L1342 HydrophobicContact CB-CD2 4.17Å; F1330-L1342 HydrophobicContact CD1-CB 4.49Å; F1330-L1342 HydrophobicContact CD1-CD1 4.09Å; F1330-L1342 HydrophobicContact CD2-CB 4.22Å; F1330-L1342 HydrophobicContact CD2-CD1 4.1Å; F1330-L1342 HydrophobicContact CE1-CB 3.88Å; F1330-L1342 HydrophobicContact CE1-CD1 4.28Å; F1330-L1342 HydrophobicContact CE2-CB 3.56Å; F1330-L1342 HydrophobicContact CE2-CD1 4.28Å; F1330-L1342 HydrophobicContact CE2-CG 4.48Å; F1330-L1342 HydrophobicContact CG-CD1 4.01Å; F1330-L1342 HydrophobicContact CZ-CB 3.37Å; F1330-L1342 HydrophobicContact CZ-CD1 4.38Å; T1333-L1342 HydrophobicContact CG2-CD1 4.04Å; Q1338-L1342 WeakPolarHBondContact O-CB 3.24Å; Q1338-L1342 WeakPolarHBondContact O-CD1 3.44Å; Q1338-L1342 WeakPolarHBondContact O-CG 3.3Å; Q1338-L1342 PolarHBondContact O-N 3.39Å; W1339-L1342 PolarHBondContact O-N 3.36Å; R1340-L1342 PolarHBondContact O-N 3.45Å; L1342-C1345 PolarHBondContact O-N 3.32Å; L1342-L1346 WeakPolarHBondContact O-CG 3.35Å; L1342-L1346 PolarHBondContact O-N 3.43Å |
| 1343 | S | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.8 | -78.6 | 0 | 0 | 0 | 0 | 112.5 | W1339 R1340 D1341 L1346 N1347 V1375 | W1339-S1343 WeakPolarHBondContact O-CB 3.29Å; W1339-S1343 PolarHBondContact O-N 2.97Å; W1339-S1343 PolarHBondContact O-OG 2.82Å; R1340-S1343 WeakPolarHBondContact O-CB 3.37Å; R1340-S1343 PolarHBondContact O-N 2.99Å; R1340-S1343 VanDerWaalsContact O-N 3.17Å; D1341-S1343 VanDerWaalsContact C-N 3.34Å; D1341-S1343 PolarHBondContact O-N 2.76Å; S1343-L1346 PolarHBondContact O-N 3.06Å; S1343-N1347 PolarHBondContact O-N 3.49Å; S1343-V1375 WeakPolarHBondContact OG-CG1 3.42Å |
| 1344 | F | 94 | Very high | 90.2 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 173.4 | 179.7 | -91.9 | 0 | 0 | 0 | 111.3 | H1303 M1306 E1307 R1340 D1341 L1346 N1347 A1348 | H1303-F1344 HydrophobicContact CB-CD1 4.38Å; H1303-F1344 HydrophobicContact CB-CD2 4.5Å; H1303-F1344 HydrophobicContact CB-CE1 3.77Å; H1303-F1344 HydrophobicContact CB-CE2 3.91Å; H1303-F1344 HydrophobicContact CB-CZ 3.51Å; H1303-F1344 AromaticContact CD2-CD1 3.34Å; H1303-F1344 WeakPolarHBondContact CD2-CD1 3.34Å; H1303-F1344 AromaticContact CD2-CD2 3.47Å; H1303-F1344 VanDerWaalsContact CD2-CD2 3.47Å; H1303-F1344 WeakPolarHBondContact CD2-CD2 3.41Å; H1303-F1344 AromaticContact CD2-CE1 3.66Å; H1303-F1344 AromaticContact CD2-CE2 3.77Å; H1303-F1344 AromaticContact CD2-CG 3.24Å; H1303-F1344 WeakPolarHBondContact CD2-CG 3.39Å; H1303-F1344 AromaticContact CD2-CZ 3.87Å; H1303-F1344 AromaticContact CE1-CD2 3.95Å; H1303-F1344 AromaticContact CG-CD2 3.81Å; H1303-F1344 AromaticContact CG-CE1 3.91Å; H1303-F1344 AromaticContact CG-CE2 3.66Å; H1303-F1344 AromaticContact CG-CG 4Å; H1303-F1344 AromaticContact CG-CZ 3.72Å; H1303-F1344 AromaticContact NE2-CD2 3.59Å; H1303-F1344 AromaticContact NE2-CG 3.49Å; H1303-F1344 WeakPolarHBondContact NE2-CG 3.5Å; M1306-F1344 HydrophobicContact CB-CD1 4.44Å; M1306-F1344 HydrophobicContact CB-CE1 4.19Å; E1307-F1344 HydrophobicContact CB-CZ 4.42Å; R1340-F1344 PolarHBondContact O-N 2.94Å; D1341-F1344 PolarHBondContact O-N 2.9Å; F1344-L1346 VanDerWaalsContact C-N 3.27Å; F1344-L1346 PolarHBondContact O-N 3.36Å; F1344-N1347 PolarHBondContact O-N 3.44Å; F1344-A1348 PolarHBondContact O-N 2.9Å |
| 1345 | C | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -36.9 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | I1287 I1310 L1326 D1341 L1342 | I1287-C1345 HydrophobicContact CD1-CB 4.36Å; I1310-C1345 HydrophobicContact CD1-CB 3.78Å; I1310-C1345 WeakPolarHBondContact CD1-O 3.35Å; L1326-C1345 HydrophobicContact CD1-CB 4.14Å; D1341-C1345 PolarHBondContact O-N 3.47Å; D1341-C1345 PolarHBondContact O-SG 2.83Å; L1342-C1345 PolarHBondContact O-N 3.32Å |
| 1346 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 172.3 | -72.8 | 174.8 | 0 | 0 | 0 | 110.6 | V1323 L1326 F1330 L1342 S1343 F1344 A1348 M1349 F1351 L1359 F1379 I1382 | V1323-L1346 HydrophobicContact CG1-CD2 4.32Å; L1326-L1346 HydrophobicContact CB-CD2 4.07Å; L1326-L1346 HydrophobicContact CD1-CD2 3.96Å; L1326-L1346 HydrophobicContact CD1-CG 4.43Å; F1330-L1346 HydrophobicContact CE2-CD1 3.79Å; F1330-L1346 HydrophobicContact CZ-CD1 4.4Å; L1342-L1346 WeakPolarHBondContact O-CG 3.35Å; L1342-L1346 PolarHBondContact O-N 3.43Å; S1343-L1346 PolarHBondContact O-N 3.06Å; F1344-L1346 VanDerWaalsContact C-N 3.27Å; F1344-L1346 PolarHBondContact O-N 3.36Å; L1346-A1348 VanDerWaalsContact C-N 3.32Å; L1346-A1348 PolarHBondContact O-N 2.64Å; L1346-M1349 HydrophobicContact CD2-CE 3.55Å; L1346-M1349 WeakPolarHBondContact O-CB 3.08Å; L1346-M1349 PolarHBondContact O-N 2.85Å; L1346-F1351 WeakPolarHBondContact O-CE2 3.34Å; L1346-L1359 HydrophobicContact CD1-CD1 4.13Å; L1346-L1359 HydrophobicContact CD2-CD1 4.36Å; L1346-F1379 HydrophobicContact CD1-CE1 4.14Å; L1346-F1379 HydrophobicContact CD1-CZ 3.72Å; L1346-I1382 HydrophobicContact CB-CD1 3.92Å |
| 1347 | N | 92.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.6 | -28.3 | -177 | -173.6 | 57.9 | 0 | 0 | 0 | 114.2 | S1343 F1344 M1349 A1378 S1381 I1382 | S1343-N1347 PolarHBondContact O-N 3.49Å; F1344-N1347 PolarHBondContact O-N 3.44Å; N1347-M1349 PolarHBondContact O-N 3.45Å; N1347-A1378 HydrophobicContact CB-CB 4.31Å; N1347-S1381 WeakPolarHBondContact OD1-CB 3.43Å; N1347-S1381 PolarHBondContact OD1-OG 3.41Å; N1347-I1382 HydrophobicContact CB-CD1 4.17Å; N1347-I1382 HydrophobicContact CB-CG1 3.99Å; N1347-I1382 WeakPolarHBondContact OD1-CG1 3.39Å |
| 1348 | A | 90.5 | Very high | 90.4 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1310 F1344 L1346 | I1310-A1348 HydrophobicContact CB-CB 4.43Å; I1310-A1348 HydrophobicContact CD1-CB 3.98Å; I1310-A1348 HydrophobicContact CG2-CB 4.3Å; F1344-A1348 PolarHBondContact O-N 2.9Å; L1346-A1348 VanDerWaalsContact C-N 3.32Å; L1346-A1348 PolarHBondContact O-N 2.64Å |
| 1349 | M | 88.5 | Confident | 90.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -84.2 | 141.3 | -178.2 | -77.8 | -162.3 | -77.5 | 0 | 0 | 113.5 | I1310 L1322 V1323 L1326 L1346 N1347 F1351 M1355 | I1310-M1349 HydrophobicContact CG2-CB 4.42Å; I1310-M1349 HydrophobicContact CG2-CG 3.55Å; L1322-M1349 HydrophobicContact CD2-SD 4.22Å; L1322-M1349 HydrophobicContact CG-SD 4.48Å; V1323-M1349 HydrophobicContact CB-CE 4.17Å; V1323-M1349 HydrophobicContact CG2-CE 3.27Å; V1323-M1349 HydrophobicContact CG2-SD 3.87Å; L1326-M1349 HydrophobicContact CD1-CE 3.93Å; L1346-M1349 HydrophobicContact CD2-CE 3.55Å; L1346-M1349 WeakPolarHBondContact O-CB 3.08Å; L1346-M1349 PolarHBondContact O-N 2.85Å; N1347-M1349 PolarHBondContact O-N 3.45Å; M1349-F1351 HydrophobicContact CB-CD2 4.45Å; M1349-F1351 HydrophobicContact CB-CE2 4.23Å; M1349-F1351 VanDerWaalsContact O-CD2 3.27Å; M1349-F1351 WeakPolarHBondContact O-CD2 3.1Å; M1349-F1351 PolarHBondContact O-N 2.75Å; M1349-M1355 HydrophobicContact CB-CE 3.96Å; M1349-M1355 HydrophobicContact SD-CE 4.05Å |
| 1350 | P | 85.3 | Confident | 90.4 | Very high | 87 Ų | 87 | 34.5 Ų | 34.5 | 57% | 0.565 | 17% | 0.166 | S | C | * | . | trans | -76.6 | 86 | 173.8 | 31.4 | -33.8 | 0 | 0 | 0 | 110.3 | S1352 M1355 | P1350-S1352 PolarHBondContact O-N 3.28Å; P1350-M1355 VanDerWaalsContact O-SD 3.39Å | ||
| 1351 | F | 87.7 | Confident | 90.4 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | trans | -63.3 | 121.4 | -175.1 | -82.1 | -88.2 | 0 | 0 | 0 | 113.4 | V1323 L1346 M1349 M1355 L1359 I1382 V1386 | V1323-F1351 HydrophobicContact CG2-CE1 4.37Å; L1346-F1351 WeakPolarHBondContact O-CE2 3.34Å; M1349-F1351 HydrophobicContact CB-CD2 4.45Å; M1349-F1351 HydrophobicContact CB-CE2 4.23Å; M1349-F1351 VanDerWaalsContact O-CD2 3.27Å; M1349-F1351 WeakPolarHBondContact O-CD2 3.1Å; M1349-F1351 PolarHBondContact O-N 2.75Å; F1351-M1355 HydrophobicContact CD1-CB 3.87Å; F1351-M1355 HydrophobicContact CD1-CE 4.4Å; F1351-M1355 HydrophobicContact CE1-CB 4.44Å; F1351-L1359 HydrophobicContact CE1-CB 4.3Å; F1351-L1359 HydrophobicContact CE1-CD2 3.68Å; F1351-L1359 HydrophobicContact CZ-CD2 3.84Å; F1351-I1382 HydrophobicContact CD1-CG2 4.41Å; F1351-I1382 HydrophobicContact CD2-CG1 4.44Å; F1351-I1382 HydrophobicContact CD2-CG2 3.67Å; F1351-I1382 HydrophobicContact CE1-CG2 4.26Å; F1351-I1382 HydrophobicContact CE2-CB 4.23Å; F1351-I1382 HydrophobicContact CE2-CD1 3.82Å; F1351-I1382 HydrophobicContact CE2-CG1 3.74Å; F1351-I1382 HydrophobicContact CE2-CG2 3.44Å; F1351-I1382 VanDerWaalsContact CE2-CG2 3.44Å; F1351-I1382 HydrophobicContact CG-CG2 4.15Å; F1351-I1382 HydrophobicContact CZ-CD1 4Å; F1351-I1382 HydrophobicContact CZ-CG1 4.37Å; F1351-I1382 HydrophobicContact CZ-CG2 3.78Å; F1351-V1386 HydrophobicContact CB-CG2 3.52Å; F1351-V1386 HydrophobicContact CG-CG2 4.17Å | ||
| 1352 | S | 85.8 | Confident | 90.4 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -91.5 | 166.6 | 163.1 | 82.2 | 0 | 0 | 0 | 0 | 112.3 | E1316 P1350 R1354 M1355 M1356 | E1316-S1352 WeakPolarHBondContact OE1-CB 3.37Å; E1316-S1352 PolarHBondContact OE1-OG 2.91Å; P1350-S1352 PolarHBondContact O-N 3.28Å; S1352-R1354 PolarHBondContact O-N 3.27Å; S1352-R1354 VanDerWaalsContact O-N 3.1Å; S1352-R1354 PolarHBondContact OG-N 3.47Å; S1352-M1355 PolarHBondContact O-N 3.33Å; S1352-M1355 VanDerWaalsContact O-N 3.14Å; S1352-M1355 PolarHBondContact OG-N 2.7Å; S1352-M1356 PolarHBondContact O-N 2.91Å | ||
| 1353 | D | 84.3 | Confident | 90.4 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -49.4 | -36.3 | 173.2 | -81.5 | -42.9 | 0 | 0 | 0 | 112.6 | R1357 I1390 N1394 | D1353-R1357 PolarHBondContact O-N 3.46Å; D1353-I1390 WeakPolarHBondContact OD1-CG1 3.27Å; D1353-N1394 PolarHBondContact OD1-ND2 3.28Å; D1353-N1394 PolarHBondContact OD2-ND2 3.24Å |
| 1354 | R | 86.1 | Confident | 90.3 | Very high | 126 Ų | 126 | 44.3 Ų | 44.3 | 48% | 0.475 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -76.8 | -43 | -178.5 | -65.5 | -179.6 | 177.8 | 166.4 | 3.4 | 111.9 | E1320 S1352 M1356 R1357 V1358 | E1320-R1354 HydrophobicContact CG-CB 4.34Å; E1320-R1354 WeakPolarHBondContact OE1-CB 3.42Å; E1320-R1354 WeakPolarHBondContact OE1-CD 3.44Å; S1352-R1354 PolarHBondContact O-N 3.27Å; S1352-R1354 VanDerWaalsContact O-N 3.1Å; S1352-R1354 PolarHBondContact OG-N 3.47Å; R1354-M1356 VanDerWaalsContact C-N 3.28Å; R1354-M1356 PolarHBondContact O-N 3.22Å; R1354-R1357 WeakPolarHBondContact O-CB 3.42Å; R1354-R1357 PolarHBondContact O-N 3.12Å; R1354-R1357 VanDerWaalsContact O-N 3.14Å; R1354-V1358 PolarHBondContact O-N 3.45Å; R1354-V1358 VanDerWaalsContact O-N 3.12Å |
| 1355 | M | 90.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.3 | -65.6 | 169.2 | 62.1 | 0 | 0 | 111.5 | C1319 E1320 V1323 M1349 P1350 F1351 S1352 R1357 V1358 L1359 | C1319-M1355 HydrophobicContact CB-CE 3.61Å; C1319-M1355 HydrophobicContact CB-CG 4.48Å; C1319-M1355 HydrophobicContact CB-SD 3.64Å; E1320-M1355 HydrophobicContact CB-CG 4.49Å; E1320-M1355 HydrophobicContact CG-CG 3.66Å; V1323-M1355 HydrophobicContact CG2-CB 4.39Å; V1323-M1355 HydrophobicContact CG2-CE 3.93Å; M1349-M1355 HydrophobicContact CB-CE 3.96Å; M1349-M1355 HydrophobicContact SD-CE 4.05Å; P1350-M1355 VanDerWaalsContact O-SD 3.39Å; F1351-M1355 HydrophobicContact CD1-CB 3.87Å; F1351-M1355 HydrophobicContact CD1-CE 4.4Å; F1351-M1355 HydrophobicContact CE1-CB 4.44Å; S1352-M1355 PolarHBondContact O-N 3.33Å; S1352-M1355 VanDerWaalsContact O-N 3.14Å; S1352-M1355 PolarHBondContact OG-N 2.7Å; M1355-R1357 VanDerWaalsContact C-N 3.31Å; M1355-R1357 PolarHBondContact O-N 3.41Å; M1355-V1358 PolarHBondContact O-N 3.02Å; M1355-L1359 PolarHBondContact O-N 3.35Å |
| 1356 | M | 88.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 175 | -172.3 | 63.9 | -99.5 | 0 | 0 | 111.5 | S1352 R1354 V1358 L1359 Y1360 V1386 L1398 F1401 | S1352-M1356 PolarHBondContact O-N 2.91Å; R1354-M1356 VanDerWaalsContact C-N 3.28Å; R1354-M1356 PolarHBondContact O-N 3.22Å; M1356-V1358 PolarHBondContact O-N 3.49Å; M1356-L1359 HydrophobicContact CE-CB 3.98Å; M1356-L1359 HydrophobicContact CE-CD2 3.83Å; M1356-L1359 HydrophobicContact CE-CG 4.19Å; M1356-L1359 PolarHBondContact O-N 3.37Å; M1356-Y1360 PolarHBondContact O-N 3.48Å; M1356-V1386 HydrophobicContact CG-CG1 4.44Å; M1356-V1386 HydrophobicContact SD-CG2 4.48Å; M1356-L1398 HydrophobicContact CG-CD1 4.13Å; M1356-L1398 HydrophobicContact SD-CD1 3.78Å; M1356-F1401 HydrophobicContact CE-CD1 3.33Å; M1356-F1401 HydrophobicContact CE-CE1 3.26Å; M1356-F1401 HydrophobicContact CE-CG 4.12Å; M1356-F1401 HydrophobicContact CE-CZ 3.96Å; M1356-F1401 HydrophobicContact SD-CD1 4.38Å; M1356-F1401 HydrophobicContact SD-CE1 4.49Å |
| 1357 | R | 87.4 | Confident | 90 | Very high | 124 Ų | 124 | 43 Ų | 43 | 47% | 0.468 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 174 | -176.5 | 178.6 | 64.2 | -121.7 | -3.8 | 111.8 | D1353 R1354 M1355 L1359 Y1360 E1361 | D1353-R1357 PolarHBondContact O-N 3.46Å; R1354-R1357 WeakPolarHBondContact O-CB 3.42Å; R1354-R1357 PolarHBondContact O-N 3.12Å; R1354-R1357 VanDerWaalsContact O-N 3.14Å; M1355-R1357 VanDerWaalsContact C-N 3.31Å; M1355-R1357 PolarHBondContact O-N 3.41Å; R1357-L1359 VanDerWaalsContact C-N 3.34Å; R1357-L1359 PolarHBondContact O-N 2.76Å; R1357-Y1360 PolarHBondContact O-N 3Å; R1357-E1361 HydrophobicContact CG-CG 4.45Å; R1357-E1361 VanDerWaalsContact CG-OE1 3.29Å; R1357-E1361 WeakPolarHBondContact CG-OE1 3.41Å; R1357-E1361 WeakPolarHBondContact O-CG 3.14Å; R1357-E1361 PolarHBondContact O-N 2.89Å |
| 1358 | V | 91.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | V1323 E1324 R1354 M1355 M1356 Y1360 E1361 N1362 | V1323-V1358 HydrophobicContact CB-CG1 4.42Å; V1323-V1358 HydrophobicContact CG1-CG1 4.12Å; E1324-V1358 HydrophobicContact CB-CG1 4Å; R1354-V1358 PolarHBondContact O-N 3.45Å; R1354-V1358 VanDerWaalsContact O-N 3.12Å; M1355-V1358 PolarHBondContact O-N 3.02Å; M1356-V1358 PolarHBondContact O-N 3.49Å; V1358-Y1360 VanDerWaalsContact C-N 3.35Å; V1358-E1361 PolarHBondContact O-N 3.04Å; V1358-N1362 WeakPolarHBondContact O-CB 3.41Å; V1358-N1362 PolarHBondContact O-N 2.62Å; V1358-N1362 VanDerWaalsContact O-N 3.17Å; V1358-N1362 PolarHBondContact O-ND2 2.84Å |
| 1359 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 177 | -175.2 | 65 | 0 | 0 | 0 | 111.5 | V1323 L1346 F1351 M1355 M1356 R1357 N1362 L1363 F1366 F1379 I1382 F1401 | V1323-L1359 HydrophobicContact CG1-CB 4.04Å; V1323-L1359 HydrophobicContact CG1-CD1 4.05Å; L1346-L1359 HydrophobicContact CD1-CD1 4.13Å; L1346-L1359 HydrophobicContact CD2-CD1 4.36Å; F1351-L1359 HydrophobicContact CE1-CB 4.3Å; F1351-L1359 HydrophobicContact CE1-CD2 3.68Å; F1351-L1359 HydrophobicContact CZ-CD2 3.84Å; M1355-L1359 PolarHBondContact O-N 3.35Å; M1356-L1359 HydrophobicContact CE-CB 3.98Å; M1356-L1359 HydrophobicContact CE-CD2 3.83Å; M1356-L1359 HydrophobicContact CE-CG 4.19Å; M1356-L1359 PolarHBondContact O-N 3.37Å; R1357-L1359 VanDerWaalsContact C-N 3.34Å; R1357-L1359 PolarHBondContact O-N 2.76Å; L1359-N1362 PolarHBondContact O-N 2.64Å; L1359-L1363 PolarHBondContact O-N 3.15Å; L1359-F1366 HydrophobicContact CD1-CE1 3.93Å; L1359-F1366 HydrophobicContact CD1-CZ 4.13Å; L1359-F1366 HydrophobicContact CG-CZ 4.41Å; L1359-F1379 HydrophobicContact CD1-CE1 3.94Å; L1359-F1379 HydrophobicContact CD2-CD1 4.36Å; L1359-F1379 HydrophobicContact CD2-CE1 4.15Å; L1359-F1379 HydrophobicContact CG-CE1 4.31Å; L1359-I1382 HydrophobicContact CD2-CG2 4.26Å; L1359-F1401 HydrophobicContact CD2-CE1 4.4Å; L1359-F1401 HydrophobicContact CD2-CZ 4.38Å; L1359-F1401 HydrophobicContact CG-CZ 4.28Å |
| 1360 | Y | 91.2 | Very high | 90.1 | Very high | 49 Ų | 49 | 45 Ų | 45 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 178.1 | 179.8 | -150.7 | 0 | 0 | 0 | 112.7 | M1356 R1357 V1358 N1362 L1363 E1400 F1401 K1404 | M1356-Y1360 PolarHBondContact O-N 3.48Å; R1357-Y1360 PolarHBondContact O-N 3Å; V1358-Y1360 VanDerWaalsContact C-N 3.35Å; Y1360-N1362 PolarHBondContact O-N 3.49Å; Y1360-L1363 HydrophobicContact CE2-CD2 4.41Å; Y1360-L1363 VanDerWaalsContact O-CB 3.23Å; Y1360-L1363 WeakPolarHBondContact O-CB 3.4Å; Y1360-L1363 PolarHBondContact O-N 3.1Å; Y1360-L1363 VanDerWaalsContact O-N 3.09Å; Y1360-E1400 PolarHBondContact OH-OE1 2.91Å; Y1360-F1401 HydrophobicContact CD2-CB 4.15Å; Y1360-F1401 AromaticContact CD2-CD2 3.16Å; Y1360-F1401 HydrophobicContact CD2-CD2 3.16Å; Y1360-F1401 AromaticContact CD2-CE2 3.81Å; Y1360-F1401 HydrophobicContact CD2-CE2 3.81Å; Y1360-F1401 AromaticContact CD2-CG 3.99Å; Y1360-F1401 HydrophobicContact CD2-CG 3.99Å; Y1360-F1401 HydrophobicContact CE2-CB 4.32Å; Y1360-F1401 AromaticContact CE2-CD2 3.77Å; Y1360-F1401 HydrophobicContact CE2-CD2 3.77Å; Y1360-F1401 HydrophobicContact CG-CB 4.33Å; Y1360-F1401 AromaticContact CG-CD2 3.8Å; Y1360-F1401 HydrophobicContact CG-CD2 3.8Å; Y1360-F1401 HydrophobicContact CG-CE2 4.43Å; Y1360-F1401 HydrophobicContact CG-CG 4.28Å; Y1360-K1404 HydrophobicContact CE2-CD 3.84Å; Y1360-K1404 PolarHBondContact OH-NZ 3.49Å |
| 1361 | E | 92.1 | Very high | 90.3 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.3 | -29.3 | 177 | -72.9 | 171.7 | -174.1 | 0 | 0 | 112.2 | R1357 V1358 | R1357-E1361 HydrophobicContact CG-CG 4.45Å; R1357-E1361 VanDerWaalsContact CG-OE1 3.29Å; R1357-E1361 WeakPolarHBondContact CG-OE1 3.41Å; R1357-E1361 WeakPolarHBondContact O-CG 3.14Å; R1357-E1361 PolarHBondContact O-N 2.89Å; V1358-E1361 PolarHBondContact O-N 3.04Å |
| 1362 | N | 93.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.7 | 178.1 | -78.8 | -77.7 | 0 | 0 | 0 | 115 | C1327 V1358 L1359 Y1360 P1364 A1365 | C1327-N1362 HydrophobicContact CB-CB 3.67Å; V1358-N1362 WeakPolarHBondContact O-CB 3.41Å; V1358-N1362 PolarHBondContact O-N 2.62Å; V1358-N1362 VanDerWaalsContact O-N 3.17Å; V1358-N1362 PolarHBondContact O-ND2 2.84Å; L1359-N1362 PolarHBondContact O-N 2.64Å; Y1360-N1362 PolarHBondContact O-N 3.49Å; N1362-P1364 VanDerWaalsContact C-N 3.31Å; N1362-P1364 VanDerWaalsContact O-N 3.12Å; N1362-A1365 WeakPolarHBondContact O-CB 3.46Å; N1362-A1365 PolarHBondContact O-N 2.99Å |
| 1363 | L | 92.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -45.3 | -43 | 178.5 | 177.1 | 63.2 | 0 | 0 | 0 | 114.7 | L1359 Y1360 A1365 F1366 A1367 L1370 F1401 K1404 V1405 F1408 | L1359-L1363 PolarHBondContact O-N 3.15Å; Y1360-L1363 HydrophobicContact CE2-CD2 4.41Å; Y1360-L1363 VanDerWaalsContact O-CB 3.23Å; Y1360-L1363 WeakPolarHBondContact O-CB 3.4Å; Y1360-L1363 PolarHBondContact O-N 3.1Å; Y1360-L1363 VanDerWaalsContact O-N 3.09Å; L1363-A1365 PolarHBondContact O-N 3.47Å; L1363-F1366 HydrophobicContact CB-CZ 4.3Å; L1363-F1366 HydrophobicContact CD1-CD2 4.28Å; L1363-F1366 HydrophobicContact CD1-CE2 3.5Å; L1363-F1366 VanDerWaalsContact CD1-CE2 3.5Å; L1363-F1366 HydrophobicContact CD1-CZ 3.86Å; L1363-F1366 PolarHBondContact O-N 3.2Å; L1363-A1367 WeakPolarHBondContact O-CB 3.26Å; L1363-A1367 PolarHBondContact O-N 3.37Å; L1363-L1370 HydrophobicContact CD1-CD1 4.36Å; L1363-F1401 HydrophobicContact CB-CE2 4.45Å; L1363-F1401 HydrophobicContact CD1-CE2 4.08Å; L1363-F1401 HydrophobicContact CD2-CE2 4.48Å; L1363-K1404 HydrophobicContact CD2-CB 3.97Å; L1363-K1404 HydrophobicContact CD2-CD 4.29Å; L1363-V1405 HydrophobicContact CD1-CG2 4.32Å; L1363-F1408 HydrophobicContact CD1-CD2 4.3Å; L1363-F1408 HydrophobicContact CD2-CD2 4.08Å; L1363-F1408 HydrophobicContact CD2-CE2 3.72Å; L1363-F1408 HydrophobicContact CG-CD2 4.36Å; L1363-F1408 HydrophobicContact CG-CE2 4.15Å |
| 1364 | P | 92.2 | Very high | 91.1 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 64% | 0.643 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -60.6 | -16.8 | 177.8 | -24.3 | 35.2 | 0 | 0 | 0 | 115.1 | N1362 | N1362-P1364 VanDerWaalsContact C-N 3.31Å; N1362-P1364 VanDerWaalsContact O-N 3.12Å |
| 1365 | A | 91.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -76.9 | -25 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1327 F1330 R1331 N1362 L1363 | C1327-A1365 HydrophobicContact CB-CB 4.38Å; C1327-A1365 WeakPolarHBondContact O-CB 3.48Å; F1330-A1365 WeakPolarHBondContact CB-O 3.32Å; R1331-A1365 HydrophobicContact CG-CB 3.99Å; N1362-A1365 WeakPolarHBondContact O-CB 3.46Å; N1362-A1365 PolarHBondContact O-N 2.99Å; L1363-A1365 PolarHBondContact O-N 3.47Å |
| 1366 | F | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -2.4 | -178.3 | 57.1 | -98 | 0 | 0 | 0 | 113.7 | F1330 L1359 L1363 D1368 K1369 L1370 F1379 F1401 | F1330-F1366 HydrophobicContact CB-CB 4.16Å; F1330-F1366 HydrophobicContact CD1-CB 4.08Å; F1330-F1366 HydrophobicContact CD2-CB 4.08Å; F1330-F1366 HydrophobicContact CE1-CB 4.46Å; F1330-F1366 HydrophobicContact CE2-CB 4.46Å; F1330-F1366 HydrophobicContact CG-CB 3.86Å; L1359-F1366 HydrophobicContact CD1-CE1 3.93Å; L1359-F1366 HydrophobicContact CD1-CZ 4.13Å; L1359-F1366 HydrophobicContact CG-CZ 4.41Å; L1363-F1366 HydrophobicContact CB-CZ 4.3Å; L1363-F1366 HydrophobicContact CD1-CD2 4.28Å; L1363-F1366 HydrophobicContact CD1-CE2 3.5Å; L1363-F1366 VanDerWaalsContact CD1-CE2 3.5Å; L1363-F1366 HydrophobicContact CD1-CZ 3.86Å; L1363-F1366 PolarHBondContact O-N 3.2Å; F1366-D1368 VanDerWaalsContact C-N 3.27Å; F1366-D1368 PolarHBondContact O-N 3.45Å; F1366-K1369 WeakPolarHBondContact O-CA 3.48Å; F1366-K1369 WeakPolarHBondContact O-CB 3.41Å; F1366-K1369 PolarHBondContact O-N 3.02Å; F1366-L1370 HydrophobicContact CD2-CD1 4.42Å; F1366-L1370 HydrophobicContact CD2-CD2 4.37Å; F1366-L1370 HydrophobicContact CD2-CG 4.33Å; F1366-L1370 PolarHBondContact O-N 3.28Å; F1366-F1379 HydrophobicContact CB-CZ 4.46Å; F1366-F1379 HydrophobicContact CD1-CZ 4.09Å; F1366-F1379 AromaticContact CD2-CE1 3.81Å; F1366-F1379 HydrophobicContact CD2-CE1 3.81Å; F1366-F1379 AromaticContact CD2-CE2 3.82Å; F1366-F1379 HydrophobicContact CD2-CE2 3.82Å; F1366-F1379 AromaticContact CD2-CZ 3.36Å; F1366-F1379 HydrophobicContact CD2-CZ 3.36Å; F1366-F1379 HydrophobicContact CE1-CE1 4.08Å; F1366-F1379 HydrophobicContact CE1-CZ 4.13Å; F1366-F1379 AromaticContact CE2-CD1 3.99Å; F1366-F1379 HydrophobicContact CE2-CD1 3.99Å; F1366-F1379 AromaticContact CE2-CE1 3.3Å; F1366-F1379 HydrophobicContact CE2-CE1 3.3Å; F1366-F1379 HydrophobicContact CE2-CE2 4.11Å; F1366-F1379 AromaticContact CE2-CZ 3.4Å; F1366-F1379 HydrophobicContact CE2-CZ 3.4Å; F1366-F1379 VanDerWaalsContact CE2-CZ 3.4Å; F1366-F1379 HydrophobicContact CG-CE1 4.38Å; F1366-F1379 HydrophobicContact CG-CE2 4.34Å; F1366-F1379 AromaticContact CG-CZ 3.72Å; F1366-F1379 HydrophobicContact CG-CZ 3.72Å; F1366-F1379 HydrophobicContact CZ-CD1 4.34Å; F1366-F1379 AromaticContact CZ-CE1 3.45Å; F1366-F1379 HydrophobicContact CZ-CE1 3.45Å; F1366-F1379 VanDerWaalsContact CZ-CE1 3.45Å; F1366-F1379 AromaticContact CZ-CZ 3.8Å; F1366-F1379 HydrophobicContact CZ-CZ 3.8Å; F1366-F1401 HydrophobicContact CZ-CZ 4.35Å |
| 1367 | A | 90.8 | Very high | 92 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1363 K1369 F1408 | L1363-A1367 WeakPolarHBondContact O-CB 3.26Å; L1363-A1367 PolarHBondContact O-N 3.37Å; A1367-K1369 VanDerWaalsContact C-N 3.26Å; A1367-K1369 PolarHBondContact O-N 3.31Å; A1367-F1408 HydrophobicContact CB-CD1 3.91Å; A1367-F1408 HydrophobicContact CB-CD2 4.28Å; A1367-F1408 HydrophobicContact CB-CE1 4.06Å; A1367-F1408 HydrophobicContact CB-CE2 4.44Å; A1367-F1408 HydrophobicContact CB-CG 4.04Å; A1367-F1408 HydrophobicContact CB-CZ 4.33Å |
| 1368 | D | 89.3 | Confident | 92.3 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.6 | 177.8 | 69.6 | -45.3 | 0 | 0 | 0 | 113.5 | F1366 | F1366-D1368 VanDerWaalsContact C-N 3.27Å; F1366-D1368 PolarHBondContact O-N 3.45Å |
| 1369 | K | 91.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -14.8 | 178.7 | -45.6 | -49 | -176.4 | -161.6 | 0 | 112.7 | F1330 W1339 F1366 A1367 C1371 V1372 V1375 | F1330-K1369 HydrophobicContact CD1-CG 4.11Å; W1339-K1369 HydrophobicContact CD2-CB 4.42Å; W1339-K1369 HydrophobicContact CD2-CD 3.77Å; W1339-K1369 HydrophobicContact CD2-CG 4.21Å; W1339-K1369 HydrophobicContact CE3-CB 4.5Å; W1339-K1369 HydrophobicContact CE3-CD 4.04Å; W1339-K1369 HydrophobicContact CG-CB 4.5Å; W1339-K1369 HydrophobicContact CG-CD 4.34Å; W1339-K1369 HydrophobicContact CG-CG 4.31Å; W1339-K1369 HydrophobicContact CH2-CD 4.05Å; W1339-K1369 HydrophobicContact CZ2-CD 3.74Å; W1339-K1369 HydrophobicContact CZ3-CD 4.18Å; F1366-K1369 WeakPolarHBondContact O-CA 3.48Å; F1366-K1369 WeakPolarHBondContact O-CB 3.41Å; F1366-K1369 PolarHBondContact O-N 3.02Å; A1367-K1369 VanDerWaalsContact C-N 3.26Å; A1367-K1369 PolarHBondContact O-N 3.31Å; K1369-C1371 PolarHBondContact O-N 2.98Å; K1369-V1372 PolarHBondContact O-N 3.41Å; K1369-V1372 VanDerWaalsContact O-N 3.09Å; K1369-V1375 HydrophobicContact CB-CG1 4.46Å |
| 1370 | L | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7.6 | 177.2 | -69.4 | 172.7 | 0 | 0 | 0 | 113.4 | L1363 F1366 V1372 V1375 F1379 V1405 F1408 H1409 | L1363-L1370 HydrophobicContact CD1-CD1 4.36Å; F1366-L1370 HydrophobicContact CD2-CD1 4.42Å; F1366-L1370 HydrophobicContact CD2-CD2 4.37Å; F1366-L1370 HydrophobicContact CD2-CG 4.33Å; F1366-L1370 PolarHBondContact O-N 3.28Å; L1370-V1372 PolarHBondContact O-N 2.6Å; L1370-V1375 HydrophobicContact CD2-CG1 4.23Å; L1370-F1379 HydrophobicContact CD2-CB 4.44Å; L1370-F1379 HydrophobicContact CD2-CD2 3.58Å; L1370-F1379 HydrophobicContact CD2-CE2 4.06Å; L1370-F1379 HydrophobicContact CD2-CG 4.11Å; L1370-V1405 HydrophobicContact CD1-CG1 4.18Å; L1370-V1405 HydrophobicContact CD2-CG1 4.19Å; L1370-F1408 HydrophobicContact CD1-CB 3.74Å; L1370-H1409 PolarHBondContact O-ND1 2.87Å |
| 1371 | C | 90.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.9 | 170.3 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | K1369 | K1369-C1371 PolarHBondContact O-N 2.98Š|
| 1372 | V | 91.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.4 | 127.9 | 176.8 | 180 | 0 | 0 | 0 | 0 | 109.3 | E1336 W1339 R1340 K1369 L1370 E1374 V1375 Y1376 | E1336-V1372 HydrophobicContact CG-CG1 4.12Å; E1336-V1372 HydrophobicContact CG-CG2 3.87Å; W1339-V1372 HydrophobicContact CE3-CG2 4.04Å; W1339-V1372 HydrophobicContact CZ3-CG2 4.33Å; R1340-V1372 HydrophobicContact CG-CG1 4.33Å; K1369-V1372 PolarHBondContact O-N 3.41Å; K1369-V1372 VanDerWaalsContact O-N 3.09Å; L1370-V1372 PolarHBondContact O-N 2.6Å; V1372-E1374 WeakPolarHBondContact CG1-OE2 3.15Å; V1372-E1374 PolarHBondContact O-N 3.03Å; V1372-V1375 HydrophobicContact CB-CB 4.02Å; V1372-V1375 HydrophobicContact CB-CG2 3.87Å; V1372-V1375 HydrophobicContact CG1-CB 4.35Å; V1372-V1375 HydrophobicContact CG1-CG2 3.91Å; V1372-V1375 PolarHBondContact O-N 2.75Å; V1372-Y1376 PolarHBondContact O-N 2.86Å |
| 1373 | Q | 91.9 | Very high | 92.7 | Very high | 110 Ų | 110 | 33.6 Ų | 33.6 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -41.8 | -170.3 | -179 | 60.3 | 23.6 | 0 | 0 | 112.6 | Y1376 A1377 H1409 | Q1373-Y1376 PolarHBondContact O-N 3.35Å; Q1373-A1377 WeakPolarHBondContact O-CB 3.16Å; Q1373-A1377 PolarHBondContact O-N 3.01Å; Q1373-H1409 PolarHBondContact OE1-CE1 3.18Å |
| 1374 | E | 92 | Very high | 92.6 | Very high | 105 Ų | 105 | 35.4 Ų | 35.4 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.1 | -37.5 | -178.9 | -58.9 | 81.4 | 178 | 0 | 0 | 111.1 | R1340 V1372 A1377 A1378 | R1340-E1374 HydrophobicContact CG-CB 4.07Å; V1372-E1374 WeakPolarHBondContact CG1-OE2 3.15Å; V1372-E1374 PolarHBondContact O-N 3.03Å; E1374-A1377 PolarHBondContact O-N 3.32Å; E1374-A1378 PolarHBondContact O-N 2.84Å |
| 1375 | V | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -51 | 173.2 | 168.5 | 0 | 0 | 0 | 0 | 109.4 | W1339 R1340 S1343 K1369 L1370 V1372 A1377 A1378 F1379 | W1339-V1375 HydrophobicContact CB-CG2 4.04Å; R1340-V1375 HydrophobicContact CG-CG2 4.31Å; S1343-V1375 WeakPolarHBondContact OG-CG1 3.42Å; K1369-V1375 HydrophobicContact CB-CG1 4.46Å; L1370-V1375 HydrophobicContact CD2-CG1 4.23Å; V1372-V1375 HydrophobicContact CB-CB 4.02Å; V1372-V1375 HydrophobicContact CB-CG2 3.87Å; V1372-V1375 HydrophobicContact CG1-CB 4.35Å; V1372-V1375 HydrophobicContact CG1-CG2 3.91Å; V1372-V1375 PolarHBondContact O-N 2.75Å; V1375-A1377 PolarHBondContact O-N 3.33Å; V1375-A1378 PolarHBondContact O-N 3.11Å; V1375-F1379 HydrophobicContact CG1-CD2 4.17Å; V1375-F1379 HydrophobicContact CG1-CE2 4.04Å; V1375-F1379 VanDerWaalsContact O-CD2 3.23Å; V1375-F1379 WeakPolarHBondContact O-CD2 3.39Å; V1375-F1379 PolarHBondContact O-N 3.29Å |
| 1376 | Y | 95.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 176.8 | 172.9 | -101.4 | 0 | 0 | 0 | 112.4 | V1372 Q1373 A1378 F1379 D1380 V1405 H1409 | V1372-Y1376 PolarHBondContact O-N 2.86Å; Q1373-Y1376 PolarHBondContact O-N 3.35Å; Y1376-A1378 VanDerWaalsContact C-N 3.29Å; Y1376-A1378 PolarHBondContact O-N 2.97Å; Y1376-F1379 PolarHBondContact O-N 3.28Å; Y1376-F1379 VanDerWaalsContact O-N 3.12Å; Y1376-D1380 HydrophobicContact CE1-CB 4.5Å; Y1376-D1380 PolarHBondContact O-N 2.85Å; Y1376-V1405 HydrophobicContact CD2-CG1 4.07Å; Y1376-V1405 HydrophobicContact CE2-CG1 4.03Å; Y1376-H1409 HydrophobicContact CD2-CB 3.44Å; Y1376-H1409 VanDerWaalsContact CD2-CB 3.44Å; Y1376-H1409 AromaticContact CD2-CG 3.46Å; Y1376-H1409 VanDerWaalsContact CD2-CG 3.46Å; Y1376-H1409 AromaticContact CD2-ND1 3.8Å; Y1376-H1409 HydrophobicContact CE2-CB 3.7Å; Y1376-H1409 AromaticContact CE2-CG 3.84Å; Y1376-H1409 HydrophobicContact CG-CB 4.13Å; Y1376-H1409 AromaticContact CG-CE1 3.87Å; Y1376-H1409 AromaticContact CG-CG 3.64Å; Y1376-H1409 AromaticContact CG-ND1 3.54Å |
| 1377 | A | 95 | Very high | 92 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1373 E1374 V1375 D1380 S1381 | Q1373-A1377 WeakPolarHBondContact O-CB 3.16Å; Q1373-A1377 PolarHBondContact O-N 3.01Å; E1374-A1377 PolarHBondContact O-N 3.32Å; V1375-A1377 PolarHBondContact O-N 3.33Å; A1377-D1380 PolarHBondContact O-N 3.43Å; A1377-S1381 WeakPolarHBondContact O-CB 3.39Å; A1377-S1381 PolarHBondContact O-N 3.48Å |
| 1378 | A | 93 | Very high | 91.8 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1347 E1374 V1375 Y1376 S1381 I1382 | N1347-A1378 HydrophobicContact CB-CB 4.31Å; E1374-A1378 PolarHBondContact O-N 2.84Å; V1375-A1378 PolarHBondContact O-N 3.11Å; Y1376-A1378 VanDerWaalsContact C-N 3.29Å; Y1376-A1378 PolarHBondContact O-N 2.97Å; A1378-S1381 WeakPolarHBondContact O-CB 3.24Å; A1378-S1381 PolarHBondContact O-N 2.88Å; A1378-I1382 VanDerWaalsContact O-CG1 3.26Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.39Å; A1378-I1382 PolarHBondContact O-N 2.83Å |
| 1379 | F | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.1 | -79 | -82.3 | 0 | 0 | 0 | 112.7 | L1346 L1359 F1366 L1370 V1375 Y1376 I1382 I1383 V1405 | L1346-F1379 HydrophobicContact CD1-CE1 4.14Å; L1346-F1379 HydrophobicContact CD1-CZ 3.72Å; L1359-F1379 HydrophobicContact CD1-CE1 3.94Å; L1359-F1379 HydrophobicContact CD2-CD1 4.36Å; L1359-F1379 HydrophobicContact CD2-CE1 4.15Å; L1359-F1379 HydrophobicContact CG-CE1 4.31Å; F1366-F1379 HydrophobicContact CB-CZ 4.46Å; F1366-F1379 HydrophobicContact CD1-CZ 4.09Å; F1366-F1379 AromaticContact CD2-CE1 3.81Å; F1366-F1379 HydrophobicContact CD2-CE1 3.81Å; F1366-F1379 AromaticContact CD2-CE2 3.82Å; F1366-F1379 HydrophobicContact CD2-CE2 3.82Å; F1366-F1379 AromaticContact CD2-CZ 3.36Å; F1366-F1379 HydrophobicContact CD2-CZ 3.36Å; F1366-F1379 HydrophobicContact CE1-CE1 4.08Å; F1366-F1379 HydrophobicContact CE1-CZ 4.13Å; F1366-F1379 AromaticContact CE2-CD1 3.99Å; F1366-F1379 HydrophobicContact CE2-CD1 3.99Å; F1366-F1379 AromaticContact CE2-CE1 3.3Å; F1366-F1379 HydrophobicContact CE2-CE1 3.3Å; F1366-F1379 HydrophobicContact CE2-CE2 4.11Å; F1366-F1379 AromaticContact CE2-CZ 3.4Å; F1366-F1379 HydrophobicContact CE2-CZ 3.4Å; F1366-F1379 VanDerWaalsContact CE2-CZ 3.4Å; F1366-F1379 HydrophobicContact CG-CE1 4.38Å; F1366-F1379 HydrophobicContact CG-CE2 4.34Å; F1366-F1379 AromaticContact CG-CZ 3.72Å; F1366-F1379 HydrophobicContact CG-CZ 3.72Å; F1366-F1379 HydrophobicContact CZ-CD1 4.34Å; F1366-F1379 AromaticContact CZ-CE1 3.45Å; F1366-F1379 HydrophobicContact CZ-CE1 3.45Å; F1366-F1379 VanDerWaalsContact CZ-CE1 3.45Å; F1366-F1379 AromaticContact CZ-CZ 3.8Å; F1366-F1379 HydrophobicContact CZ-CZ 3.8Å; L1370-F1379 HydrophobicContact CD2-CB 4.44Å; L1370-F1379 HydrophobicContact CD2-CD2 3.58Å; L1370-F1379 HydrophobicContact CD2-CE2 4.06Å; L1370-F1379 HydrophobicContact CD2-CG 4.11Å; V1375-F1379 HydrophobicContact CG1-CD2 4.17Å; V1375-F1379 HydrophobicContact CG1-CE2 4.04Å; V1375-F1379 VanDerWaalsContact O-CD2 3.23Å; V1375-F1379 WeakPolarHBondContact O-CD2 3.39Å; V1375-F1379 PolarHBondContact O-N 3.29Å; Y1376-F1379 PolarHBondContact O-N 3.28Å; Y1376-F1379 VanDerWaalsContact O-N 3.12Å; F1379-I1382 PolarHBondContact O-N 3.48Å; F1379-I1383 WeakPolarHBondContact O-CD1 3.29Å; F1379-I1383 VanDerWaalsContact O-CG1 3.25Å; F1379-I1383 WeakPolarHBondContact O-CG1 3.39Å; F1379-I1383 PolarHBondContact O-N 3.17Å; F1379-V1405 HydrophobicContact CB-CG1 4.18Å |
| 1380 | D | 93.7 | Very high | 91.2 | Very high | 58 Ų | 58 | 47 Ų | 47 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.7 | -164.4 | 51.1 | 0 | 0 | 0 | 111.9 | Y1376 A1377 I1383 S1384 | Y1376-D1380 HydrophobicContact CE1-CB 4.5Å; Y1376-D1380 PolarHBondContact O-N 2.85Å; A1377-D1380 PolarHBondContact O-N 3.43Å; D1380-I1383 PolarHBondContact O-N 2.96Å; D1380-S1384 VanDerWaalsContact O-CB 3.28Å; D1380-S1384 WeakPolarHBondContact O-CB 3.33Å; D1380-S1384 PolarHBondContact O-N 3.25Å; D1380-S1384 PolarHBondContact O-OG 3.02Å |
| 1381 | S | 93.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 171.3 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | N1347 A1377 A1378 I1383 S1384 N1385 | N1347-S1381 WeakPolarHBondContact OD1-CB 3.43Å; N1347-S1381 PolarHBondContact OD1-OG 3.41Å; A1377-S1381 WeakPolarHBondContact O-CB 3.39Å; A1377-S1381 PolarHBondContact O-N 3.48Å; A1378-S1381 WeakPolarHBondContact O-CB 3.24Å; A1378-S1381 PolarHBondContact O-N 2.88Å; S1381-I1383 PolarHBondContact O-N 3.48Å; S1381-S1384 PolarHBondContact O-N 3.47Å; S1381-N1385 WeakPolarHBondContact O-CB 3.46Å; S1381-N1385 PolarHBondContact O-N 3.01Å |
| 1382 | I | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.1 | -51.3 | 176.2 | -69.3 | 165.2 | 0 | 0 | 0 | 110.6 | L1346 N1347 F1351 L1359 A1378 F1379 S1384 N1385 V1386 | L1346-I1382 HydrophobicContact CB-CD1 3.92Å; N1347-I1382 HydrophobicContact CB-CD1 4.17Å; N1347-I1382 HydrophobicContact CB-CG1 3.99Å; N1347-I1382 WeakPolarHBondContact OD1-CG1 3.39Å; F1351-I1382 HydrophobicContact CD1-CG2 4.41Å; F1351-I1382 HydrophobicContact CD2-CG1 4.44Å; F1351-I1382 HydrophobicContact CD2-CG2 3.67Å; F1351-I1382 HydrophobicContact CE1-CG2 4.26Å; F1351-I1382 HydrophobicContact CE2-CB 4.23Å; F1351-I1382 HydrophobicContact CE2-CD1 3.82Å; F1351-I1382 HydrophobicContact CE2-CG1 3.74Å; F1351-I1382 HydrophobicContact CE2-CG2 3.44Å; F1351-I1382 VanDerWaalsContact CE2-CG2 3.44Å; F1351-I1382 HydrophobicContact CG-CG2 4.15Å; F1351-I1382 HydrophobicContact CZ-CD1 4Å; F1351-I1382 HydrophobicContact CZ-CG1 4.37Å; F1351-I1382 HydrophobicContact CZ-CG2 3.78Å; L1359-I1382 HydrophobicContact CD2-CG2 4.26Å; A1378-I1382 VanDerWaalsContact O-CG1 3.26Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.39Å; A1378-I1382 PolarHBondContact O-N 2.83Å; F1379-I1382 PolarHBondContact O-N 3.48Å; I1382-S1384 VanDerWaalsContact C-N 3.33Å; I1382-S1384 PolarHBondContact O-N 3.44Å; I1382-N1385 PolarHBondContact O-N 3.43Å; I1382-V1386 HydrophobicContact CG2-CG2 4.45Å; I1382-V1386 VanDerWaalsContact O-CG2 3.31Å; I1382-V1386 WeakPolarHBondContact O-CG2 3.3Å; I1382-V1386 PolarHBondContact O-N 3.3Å |
| 1383 | I | 92.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | -179.4 | -68.7 | 162.2 | 0 | 0 | 0 | 110.6 | F1379 D1380 S1381 N1385 V1386 K1387 L1398 F1401 E1402 V1405 | F1379-I1383 WeakPolarHBondContact O-CD1 3.29Å; F1379-I1383 VanDerWaalsContact O-CG1 3.25Å; F1379-I1383 WeakPolarHBondContact O-CG1 3.39Å; F1379-I1383 PolarHBondContact O-N 3.17Å; D1380-I1383 PolarHBondContact O-N 2.96Å; S1381-I1383 PolarHBondContact O-N 3.48Å; I1383-N1385 PolarHBondContact O-N 3.26Å; I1383-V1386 PolarHBondContact O-N 2.94Å; I1383-K1387 HydrophobicContact CG2-CD 4.36Å; I1383-K1387 WeakPolarHBondContact O-CB 3.27Å; I1383-K1387 WeakPolarHBondContact O-CG 3.49Å; I1383-K1387 PolarHBondContact O-N 3.29Å; I1383-L1398 HydrophobicContact CG2-CD1 4.21Å; I1383-L1398 HydrophobicContact CG2-CG 4.39Å; I1383-F1401 HydrophobicContact CD1-CD1 3.96Å; I1383-F1401 HydrophobicContact CD1-CE1 3.93Å; I1383-F1401 HydrophobicContact CG1-CD1 3.96Å; I1383-F1401 HydrophobicContact CG1-CE1 3.98Å; I1383-E1402 HydrophobicContact CD1-CB 4.29Å; I1383-E1402 HydrophobicContact CG2-CB 4.02Å; I1383-E1402 HydrophobicContact CG2-CG 4.12Å; I1383-V1405 HydrophobicContact CD1-CB 4.41Å; I1383-V1405 HydrophobicContact CD1-CG2 4.29Å |
| 1384 | S | 90.8 | Very high | 89.3 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 179.7 | -66.2 | 0 | 0 | 0 | 0 | 113 | D1380 S1381 I1382 | D1380-S1384 VanDerWaalsContact O-CB 3.28Å; D1380-S1384 WeakPolarHBondContact O-CB 3.33Å; D1380-S1384 PolarHBondContact O-N 3.25Å; D1380-S1384 PolarHBondContact O-OG 3.02Å; S1381-S1384 PolarHBondContact O-N 3.47Å; I1382-S1384 VanDerWaalsContact C-N 3.33Å; I1382-S1384 PolarHBondContact O-N 3.44Å |
| 1385 | N | 89.3 | Confident | 89 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72 | -43.3 | 177.5 | -73.2 | -19.7 | 0 | 0 | 0 | 111.6 | S1381 I1382 I1383 K1387 K1388 | S1381-N1385 WeakPolarHBondContact O-CB 3.46Å; S1381-N1385 PolarHBondContact O-N 3.01Å; I1382-N1385 PolarHBondContact O-N 3.43Å; I1383-N1385 PolarHBondContact O-N 3.26Å; N1385-K1387 VanDerWaalsContact C-N 3.34Å; N1385-K1387 PolarHBondContact O-N 2.8Å; N1385-K1388 PolarHBondContact O-N 2.73Å |
| 1386 | V | 88.9 | Confident | 88.7 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | F1351 M1356 I1382 I1383 K1388 L1389 I1390 L1398 | F1351-V1386 HydrophobicContact CB-CG2 3.52Å; F1351-V1386 HydrophobicContact CG-CG2 4.17Å; M1356-V1386 HydrophobicContact CG-CG1 4.44Å; M1356-V1386 HydrophobicContact SD-CG2 4.48Å; I1382-V1386 HydrophobicContact CG2-CG2 4.45Å; I1382-V1386 VanDerWaalsContact O-CG2 3.31Å; I1382-V1386 WeakPolarHBondContact O-CG2 3.3Å; I1382-V1386 PolarHBondContact O-N 3.3Å; I1383-V1386 PolarHBondContact O-N 2.94Å; V1386-K1388 PolarHBondContact O-N 3.39Å; V1386-K1388 VanDerWaalsContact O-N 3.1Å; V1386-L1389 PolarHBondContact O-N 3.14Å; V1386-I1390 HydrophobicContact CG1-CB 4.21Å; V1386-I1390 HydrophobicContact CG1-CD1 3.93Å; V1386-I1390 VanDerWaalsContact O-CB 3.31Å; V1386-I1390 WeakPolarHBondContact O-CB 3.39Å; V1386-I1390 PolarHBondContact O-N 2.89Å; V1386-L1398 HydrophobicContact CB-CD2 4.27Å; V1386-L1398 HydrophobicContact CG1-CD1 4.32Å; V1386-L1398 HydrophobicContact CG1-CD2 3.83Å |
| 1387 | K | 88.4 | Confident | 88.2 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.1 | -30.7 | 176.4 | -85.5 | -178.4 | 174.9 | -177 | 0 | 113.7 | I1383 N1385 M1395 L1398 E1402 | I1383-K1387 HydrophobicContact CG2-CD 4.36Å; I1383-K1387 WeakPolarHBondContact O-CB 3.27Å; I1383-K1387 WeakPolarHBondContact O-CG 3.49Å; I1383-K1387 PolarHBondContact O-N 3.29Å; N1385-K1387 VanDerWaalsContact C-N 3.34Å; N1385-K1387 PolarHBondContact O-N 2.8Å; K1387-M1395 WeakPolarHBondContact O-CE 3.49Å; K1387-L1398 HydrophobicContact CB-CD2 4.23Å; K1387-L1398 HydrophobicContact CG-CD2 3.44Å; K1387-L1398 VanDerWaalsContact CG-CD2 3.44Å; K1387-L1398 HydrophobicContact CG-CG 4.2Å; K1387-E1402 WeakPolarHBondContact CE-OE2 3.3Å; K1387-E1402 IonicContact NZ-OE1 2.7Å; K1387-E1402 PolarHBondContact NZ-OE1 3.15Å; K1387-E1402 IonicContact NZ-OE2 3.75Å; K1387-E1402 PolarHBondContact NZ-OE2 3.4Å |
| 1388 | K | 86.7 | Confident | 87.8 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 71% | 0.709 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.3 | -25.7 | -179.7 | -64.7 | 170.7 | -173.8 | 166.5 | 0 | 113.1 | N1385 V1386 | N1385-K1388 PolarHBondContact O-N 2.73Å; V1386-K1388 PolarHBondContact O-N 3.39Å; V1386-K1388 VanDerWaalsContact O-N 3.1Å |
| 1389 | L | 83.2 | Confident | 87.7 | Confident | 153 Ų | 153 | 70 Ų | 70 | 80% | 0.801 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -112.1 | -15.8 | -170.4 | -64.9 | 169.3 | 0 | 0 | 0 | 113.4 | V1386 | V1386-L1389 PolarHBondContact O-N 3.14Å |
| 1390 | I | 83.8 | Confident | 87.5 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -75.3 | 145.6 | -170.6 | -163 | 161.9 | 0 | 0 | 0 | 113.2 | D1353 V1386 N1394 M1395 L1398 | D1353-I1390 WeakPolarHBondContact OD1-CG1 3.27Å; V1386-I1390 HydrophobicContact CG1-CB 4.21Å; V1386-I1390 HydrophobicContact CG1-CD1 3.93Å; V1386-I1390 VanDerWaalsContact O-CB 3.31Å; V1386-I1390 WeakPolarHBondContact O-CB 3.39Å; V1386-I1390 PolarHBondContact O-N 2.89Å; I1390-N1394 HydrophobicContact CD1-CB 3.59Å; I1390-N1394 HydrophobicContact CG1-CB 3.73Å; I1390-M1395 HydrophobicContact CG2-CE 3.5Å; I1390-M1395 VanDerWaalsContact CG2-CE 3.5Å; I1390-M1395 HydrophobicContact CG2-CG 3.87Å; I1390-M1395 HydrophobicContact CG2-SD 3.29Å; I1390-M1395 WeakPolarHBondContact CG2-SD 3.47Å; I1390-L1398 HydrophobicContact CD1-CB 4.3Å; I1390-L1398 HydrophobicContact CD1-CD2 3.94Å; I1390-L1398 HydrophobicContact CG2-CD2 4.02Å | ||
| 1391 | K | 83.6 | Confident | 87.4 | Confident | 139 Ų | 139 | 71.5 Ų | 71.5 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | trans | -70.2 | 149.5 | 176.3 | -67.9 | 178.4 | -179.5 | 175.3 | 0 | 111.6 | D1393 N1394 M1395 | K1391-D1393 PolarHBondContact O-N 3.43Å; K1391-D1393 VanDerWaalsContact O-N 3.09Å; K1391-N1394 PolarHBondContact O-N 3.19Å; K1391-M1395 PolarHBondContact O-N 3.04Å | ||
| 1392 | P | 80.8 | Confident | 87.4 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.6 | -36.7 | -178 | -24.9 | 31.9 | 0 | 0 | 0 | 114 | N1394 M1395 | P1392-N1394 VanDerWaalsContact C-N 3.26Å; P1392-N1394 PolarHBondContact O-N 2.8Å; P1392-M1395 WeakPolarHBondContact O-CB 3.24Å; P1392-M1395 PolarHBondContact O-N 2.63Å |
| 1393 | D | 80.1 | Confident | 87.4 | Confident | 148 Ų | 148 | 76 Ų | 76 | 79% | 0.791 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.5 | -25.7 | -177.1 | -60.7 | -17.8 | 0 | 0 | 0 | 113.7 | K1391 | K1391-D1393 PolarHBondContact O-N 3.43Å; K1391-D1393 VanDerWaalsContact O-N 3.09Å |
| 1394 | N | 81.6 | Confident | 87.4 | Confident | 40 Ų | 40 | 79 Ų | 79 | 21% | 0.214 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -99 | -10.2 | -178.8 | -69.2 | -29.8 | 0 | 0 | 0 | 113.4 | D1353 I1390 K1391 P1392 A1396 R1397 L1398 | D1353-N1394 PolarHBondContact OD1-ND2 3.28Å; D1353-N1394 PolarHBondContact OD2-ND2 3.24Å; I1390-N1394 HydrophobicContact CD1-CB 3.59Å; I1390-N1394 HydrophobicContact CG1-CB 3.73Å; K1391-N1394 PolarHBondContact O-N 3.19Å; P1392-N1394 VanDerWaalsContact C-N 3.26Å; P1392-N1394 PolarHBondContact O-N 2.8Å; N1394-A1396 VanDerWaalsContact C-N 3.32Å; N1394-A1396 PolarHBondContact O-N 3.16Å; N1394-R1397 PolarHBondContact O-N 3.09Å; N1394-L1398 PolarHBondContact O-N 2.91Å |
| 1395 | M | 87.5 | Confident | 87.6 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.1 | -43 | -179.2 | -82.4 | -70.7 | -159.6 | 0 | 0 | 112.9 | K1387 I1390 K1391 P1392 R1397 L1398 E1399 | K1387-M1395 WeakPolarHBondContact O-CE 3.49Å; I1390-M1395 HydrophobicContact CG2-CE 3.5Å; I1390-M1395 VanDerWaalsContact CG2-CE 3.5Å; I1390-M1395 HydrophobicContact CG2-CG 3.87Å; I1390-M1395 HydrophobicContact CG2-SD 3.29Å; I1390-M1395 WeakPolarHBondContact CG2-SD 3.47Å; K1391-M1395 PolarHBondContact O-N 3.04Å; P1392-M1395 WeakPolarHBondContact O-CB 3.24Å; P1392-M1395 PolarHBondContact O-N 2.63Å; M1395-R1397 VanDerWaalsContact C-N 3.3Å; M1395-R1397 PolarHBondContact O-N 3.35Å; M1395-L1398 WeakPolarHBondContact O-CB 3.48Å; M1395-L1398 PolarHBondContact O-N 3.37Å; M1395-L1398 VanDerWaalsContact O-N 3.09Å; M1395-E1399 WeakPolarHBondContact O-CG 3.25Å; M1395-E1399 PolarHBondContact O-N 3.21Å |
| 1396 | A | 86.5 | Confident | 87.7 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1394 E1400 | N1394-A1396 VanDerWaalsContact C-N 3.32Å; N1394-A1396 PolarHBondContact O-N 3.16Å; A1396-E1400 PolarHBondContact O-N 3.4Å; A1396-E1400 VanDerWaalsContact O-N 3.14Å |
| 1397 | R | 84.2 | Confident | 87.9 | Confident | 159 Ų | 159 | 83.8 Ų | 83.8 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.5 | -35.7 | 175.8 | -70.1 | -174.1 | -174.1 | 135 | -0.4 | 111.8 | N1394 M1395 E1400 F1401 | N1394-R1397 PolarHBondContact O-N 3.09Å; M1395-R1397 VanDerWaalsContact C-N 3.3Å; M1395-R1397 PolarHBondContact O-N 3.35Å; R1397-E1400 PolarHBondContact O-N 3.37Å; R1397-F1401 PolarHBondContact O-N 3.42Å |
| 1398 | L | 87.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 84.5 Ų | 84.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177 | -174.3 | 60.4 | 0 | 0 | 0 | 111.2 | M1356 I1383 V1386 K1387 I1390 N1394 M1395 F1401 E1402 | M1356-L1398 HydrophobicContact CG-CD1 4.13Å; M1356-L1398 HydrophobicContact SD-CD1 3.78Å; I1383-L1398 HydrophobicContact CG2-CD1 4.21Å; I1383-L1398 HydrophobicContact CG2-CG 4.39Å; V1386-L1398 HydrophobicContact CB-CD2 4.27Å; V1386-L1398 HydrophobicContact CG1-CD1 4.32Å; V1386-L1398 HydrophobicContact CG1-CD2 3.83Å; K1387-L1398 HydrophobicContact CB-CD2 4.23Å; K1387-L1398 HydrophobicContact CG-CD2 3.44Å; K1387-L1398 VanDerWaalsContact CG-CD2 3.44Å; K1387-L1398 HydrophobicContact CG-CG 4.2Å; I1390-L1398 HydrophobicContact CD1-CB 4.3Å; I1390-L1398 HydrophobicContact CD1-CD2 3.94Å; I1390-L1398 HydrophobicContact CG2-CD2 4.02Å; N1394-L1398 PolarHBondContact O-N 2.91Å; M1395-L1398 WeakPolarHBondContact O-CB 3.48Å; M1395-L1398 PolarHBondContact O-N 3.37Å; M1395-L1398 VanDerWaalsContact O-N 3.09Å; L1398-F1401 PolarHBondContact O-N 3.36Å; L1398-E1402 WeakPolarHBondContact O-CB 3.4Å; L1398-E1402 PolarHBondContact O-N 3.2Å |
| 1399 | E | 89.9 | Confident | 88.4 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 173 | -69.3 | 177.4 | 173.2 | 0 | 0 | 112.3 | M1395 T1403 | M1395-E1399 WeakPolarHBondContact O-CG 3.25Å; M1395-E1399 PolarHBondContact O-N 3.21Å; E1399-T1403 WeakPolarHBondContact O-CG2 3.26Å; E1399-T1403 PolarHBondContact O-N 2.86Å; E1399-T1403 PolarHBondContact O-OG1 2.9Å |
| 1400 | E | 91.2 | Very high | 88.8 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 172.4 | -164.8 | -164.4 | 160.5 | 0 | 0 | 111.8 | Y1360 A1396 R1397 T1403 K1404 | Y1360-E1400 PolarHBondContact OH-OE1 2.91Å; A1396-E1400 PolarHBondContact O-N 3.4Å; A1396-E1400 VanDerWaalsContact O-N 3.14Å; R1397-E1400 PolarHBondContact O-N 3.37Å; E1400-T1403 WeakPolarHBondContact CA-OG1 3.33Å; E1400-T1403 PolarHBondContact O-OG1 2.93Å; E1400-K1404 WeakPolarHBondContact O-CG 3.5Å; E1400-K1404 PolarHBondContact O-N 3.37Å; E1400-K1404 VanDerWaalsContact O-N 3.13Å; E1400-K1404 WeakPolarHBondContact OE1-CE 3.4Å; E1400-K1404 IonicContact OE1-NZ 2.83Å; E1400-K1404 PolarHBondContact OE1-NZ 2.94Å |
| 1401 | F | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.3 | 178.8 | -120.7 | 0 | 0 | 0 | 111.8 | M1356 L1359 Y1360 L1363 F1366 I1383 R1397 L1398 T1403 K1404 V1405 | M1356-F1401 HydrophobicContact CE-CD1 3.33Å; M1356-F1401 HydrophobicContact CE-CE1 3.26Å; M1356-F1401 HydrophobicContact CE-CG 4.12Å; M1356-F1401 HydrophobicContact CE-CZ 3.96Å; M1356-F1401 HydrophobicContact SD-CD1 4.38Å; M1356-F1401 HydrophobicContact SD-CE1 4.49Å; L1359-F1401 HydrophobicContact CD2-CE1 4.4Å; L1359-F1401 HydrophobicContact CD2-CZ 4.38Å; L1359-F1401 HydrophobicContact CG-CZ 4.28Å; Y1360-F1401 HydrophobicContact CD2-CB 4.15Å; Y1360-F1401 AromaticContact CD2-CD2 3.16Å; Y1360-F1401 HydrophobicContact CD2-CD2 3.16Å; Y1360-F1401 AromaticContact CD2-CE2 3.81Å; Y1360-F1401 HydrophobicContact CD2-CE2 3.81Å; Y1360-F1401 AromaticContact CD2-CG 3.99Å; Y1360-F1401 HydrophobicContact CD2-CG 3.99Å; Y1360-F1401 HydrophobicContact CE2-CB 4.32Å; Y1360-F1401 AromaticContact CE2-CD2 3.77Å; Y1360-F1401 HydrophobicContact CE2-CD2 3.77Å; Y1360-F1401 HydrophobicContact CG-CB 4.33Å; Y1360-F1401 AromaticContact CG-CD2 3.8Å; Y1360-F1401 HydrophobicContact CG-CD2 3.8Å; Y1360-F1401 HydrophobicContact CG-CE2 4.43Å; Y1360-F1401 HydrophobicContact CG-CG 4.28Å; L1363-F1401 HydrophobicContact CB-CE2 4.45Å; L1363-F1401 HydrophobicContact CD1-CE2 4.08Å; L1363-F1401 HydrophobicContact CD2-CE2 4.48Å; F1366-F1401 HydrophobicContact CZ-CZ 4.35Å; I1383-F1401 HydrophobicContact CD1-CD1 3.96Å; I1383-F1401 HydrophobicContact CD1-CE1 3.93Å; I1383-F1401 HydrophobicContact CG1-CD1 3.96Å; I1383-F1401 HydrophobicContact CG1-CE1 3.98Å; R1397-F1401 PolarHBondContact O-N 3.42Å; L1398-F1401 PolarHBondContact O-N 3.36Å; F1401-T1403 VanDerWaalsContact C-N 3.34Å; F1401-T1403 PolarHBondContact O-N 3.45Å; F1401-K1404 PolarHBondContact O-N 2.97Å; F1401-V1405 HydrophobicContact CD1-CG2 4.36Å; F1401-V1405 HydrophobicContact CD2-CG2 4.03Å; F1401-V1405 HydrophobicContact CE1-CG2 3.92Å; F1401-V1405 HydrophobicContact CE2-CG2 3.64Å; F1401-V1405 HydrophobicContact CG-CG2 4.42Å; F1401-V1405 HydrophobicContact CZ-CG2 3.59Å; F1401-V1405 WeakPolarHBondContact O-CG2 3.01Å; F1401-V1405 PolarHBondContact O-N 3.15Å |
| 1402 | E | 93.5 | Very high | 89.3 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 176 | -178.7 | -175 | -149.2 | 0 | 0 | 112.1 | I1383 K1387 L1398 K1404 V1405 K1406 | I1383-E1402 HydrophobicContact CD1-CB 4.29Å; I1383-E1402 HydrophobicContact CG2-CB 4.02Å; I1383-E1402 HydrophobicContact CG2-CG 4.12Å; K1387-E1402 WeakPolarHBondContact CE-OE2 3.3Å; K1387-E1402 IonicContact NZ-OE1 2.7Å; K1387-E1402 PolarHBondContact NZ-OE1 3.15Å; K1387-E1402 IonicContact NZ-OE2 3.75Å; K1387-E1402 PolarHBondContact NZ-OE2 3.4Å; L1398-E1402 WeakPolarHBondContact O-CB 3.4Å; L1398-E1402 PolarHBondContact O-N 3.2Å; E1402-K1404 PolarHBondContact O-N 3.4Å; E1402-V1405 PolarHBondContact O-N 2.8Å; E1402-K1406 WeakPolarHBondContact O-CB 3.32Å; E1402-K1406 PolarHBondContact O-N 2.87Å |
| 1403 | T | 93.5 | Very high | 89.6 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.4 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | E1399 E1400 F1401 K1406 E1407 | E1399-T1403 WeakPolarHBondContact O-CG2 3.26Å; E1399-T1403 PolarHBondContact O-N 2.86Å; E1399-T1403 PolarHBondContact O-OG1 2.9Å; E1400-T1403 WeakPolarHBondContact CA-OG1 3.33Å; E1400-T1403 PolarHBondContact O-OG1 2.93Å; F1401-T1403 VanDerWaalsContact C-N 3.34Å; F1401-T1403 PolarHBondContact O-N 3.45Å; T1403-K1406 PolarHBondContact O-N 3.21Å; T1403-E1407 WeakPolarHBondContact O-CB 3.3Å; T1403-E1407 PolarHBondContact O-N 3.21Å |
| 1404 | K | 92.5 | Very high | 89.8 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175 | -76.4 | 176.6 | -178.7 | 170.8 | 0 | 112.7 | Y1360 L1363 E1400 F1401 E1402 K1406 E1407 F1408 | Y1360-K1404 HydrophobicContact CE2-CD 3.84Å; Y1360-K1404 PolarHBondContact OH-NZ 3.49Å; L1363-K1404 HydrophobicContact CD2-CB 3.97Å; L1363-K1404 HydrophobicContact CD2-CD 4.29Å; E1400-K1404 WeakPolarHBondContact O-CG 3.5Å; E1400-K1404 PolarHBondContact O-N 3.37Å; E1400-K1404 VanDerWaalsContact O-N 3.13Å; E1400-K1404 WeakPolarHBondContact OE1-CE 3.4Å; E1400-K1404 IonicContact OE1-NZ 2.83Å; E1400-K1404 PolarHBondContact OE1-NZ 2.94Å; F1401-K1404 PolarHBondContact O-N 2.97Å; E1402-K1404 PolarHBondContact O-N 3.4Å; K1404-K1406 VanDerWaalsContact C-N 3.29Å; K1404-K1406 PolarHBondContact O-N 3.35Å; K1404-E1407 PolarHBondContact O-N 3.32Å; K1404-F1408 WeakPolarHBondContact O-CD2 3.46Å; K1404-F1408 PolarHBondContact O-N 3.42Å |
| 1405 | V | 94.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 176.8 | 170 | 0 | 0 | 0 | 0 | 110.3 | L1363 L1370 Y1376 F1379 I1383 F1401 E1402 F1408 H1409 | L1363-V1405 HydrophobicContact CD1-CG2 4.32Å; L1370-V1405 HydrophobicContact CD1-CG1 4.18Å; L1370-V1405 HydrophobicContact CD2-CG1 4.19Å; Y1376-V1405 HydrophobicContact CD2-CG1 4.07Å; Y1376-V1405 HydrophobicContact CE2-CG1 4.03Å; F1379-V1405 HydrophobicContact CB-CG1 4.18Å; I1383-V1405 HydrophobicContact CD1-CB 4.41Å; I1383-V1405 HydrophobicContact CD1-CG2 4.29Å; F1401-V1405 HydrophobicContact CD1-CG2 4.36Å; F1401-V1405 HydrophobicContact CD2-CG2 4.03Å; F1401-V1405 HydrophobicContact CE1-CG2 3.92Å; F1401-V1405 HydrophobicContact CE2-CG2 3.64Å; F1401-V1405 HydrophobicContact CG-CG2 4.42Å; F1401-V1405 HydrophobicContact CZ-CG2 3.59Å; F1401-V1405 WeakPolarHBondContact O-CG2 3.01Å; F1401-V1405 PolarHBondContact O-N 3.15Å; E1402-V1405 PolarHBondContact O-N 2.8Å; V1405-F1408 PolarHBondContact O-N 3.08Å; V1405-H1409 WeakPolarHBondContact O-CB 3.46Å; V1405-H1409 PolarHBondContact O-N 3.37Å |
| 1406 | K | 92.6 | Very high | 89.6 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.2 | -170.3 | 174.5 | -179.5 | 174 | 0 | 113 | E1402 T1403 K1404 F1408 H1409 E1410 | E1402-K1406 WeakPolarHBondContact O-CB 3.32Å; E1402-K1406 PolarHBondContact O-N 2.87Å; T1403-K1406 PolarHBondContact O-N 3.21Å; K1404-K1406 VanDerWaalsContact C-N 3.29Å; K1404-K1406 PolarHBondContact O-N 3.35Å; K1406-F1408 PolarHBondContact O-N 3.23Å; K1406-H1409 PolarHBondContact O-N 3.27Å; K1406-E1410 WeakPolarHBondContact CE-OE1 3.42Å; K1406-E1410 HydrophobicContact CG-CG 4.5Å; K1406-E1410 WeakPolarHBondContact O-CG 3.24Å; K1406-E1410 PolarHBondContact O-N 3.21Å |
| 1407 | E | 92 | Very high | 89.4 | Confident | 128 Ų | 128 | 70.4 Ų | 70.4 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 176.5 | -173.5 | -175 | 168.8 | 0 | 0 | 111.7 | T1403 K1404 K1411 | T1403-E1407 WeakPolarHBondContact O-CB 3.3Å; T1403-E1407 PolarHBondContact O-N 3.21Å; K1404-E1407 PolarHBondContact O-N 3.32Å; E1407-K1411 VanDerWaalsContact O-CB 3.23Å; E1407-K1411 WeakPolarHBondContact O-CB 3.35Å; E1407-K1411 PolarHBondContact O-N 3.45Å |
| 1408 | F | 92.5 | Very high | 89.2 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.1 | -80.6 | -65.7 | 0 | 0 | 0 | 112.5 | L1363 A1367 L1370 K1404 V1405 K1406 G1412 | L1363-F1408 HydrophobicContact CD1-CD2 4.3Å; L1363-F1408 HydrophobicContact CD2-CD2 4.08Å; L1363-F1408 HydrophobicContact CD2-CE2 3.72Å; L1363-F1408 HydrophobicContact CG-CD2 4.36Å; L1363-F1408 HydrophobicContact CG-CE2 4.15Å; A1367-F1408 HydrophobicContact CB-CD1 3.91Å; A1367-F1408 HydrophobicContact CB-CD2 4.28Å; A1367-F1408 HydrophobicContact CB-CE1 4.06Å; A1367-F1408 HydrophobicContact CB-CE2 4.44Å; A1367-F1408 HydrophobicContact CB-CG 4.04Å; A1367-F1408 HydrophobicContact CB-CZ 4.33Å; L1370-F1408 HydrophobicContact CD1-CB 3.74Å; K1404-F1408 WeakPolarHBondContact O-CD2 3.46Å; K1404-F1408 PolarHBondContact O-N 3.42Å; V1405-F1408 PolarHBondContact O-N 3.08Å; K1406-F1408 PolarHBondContact O-N 3.23Å; F1408-G1412 PolarHBondContact O-N 3.06Å |
| 1409 | H | 93.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 11% | 0.111 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -53.1 | 173.9 | 175.6 | 70.4 | 0 | 0 | 0 | 111.8 | L1370 Q1373 Y1376 V1405 K1406 K1411 G1412 V1413 | L1370-H1409 PolarHBondContact O-ND1 2.87Å; Q1373-H1409 PolarHBondContact OE1-CE1 3.18Å; Y1376-H1409 HydrophobicContact CD2-CB 3.44Å; Y1376-H1409 VanDerWaalsContact CD2-CB 3.44Å; Y1376-H1409 AromaticContact CD2-CG 3.46Å; Y1376-H1409 VanDerWaalsContact CD2-CG 3.46Å; Y1376-H1409 AromaticContact CD2-ND1 3.8Å; Y1376-H1409 HydrophobicContact CE2-CB 3.7Å; Y1376-H1409 AromaticContact CE2-CG 3.84Å; Y1376-H1409 HydrophobicContact CG-CB 4.13Å; Y1376-H1409 AromaticContact CG-CE1 3.87Å; Y1376-H1409 AromaticContact CG-CG 3.64Å; Y1376-H1409 AromaticContact CG-ND1 3.54Å; V1405-H1409 WeakPolarHBondContact O-CB 3.46Å; V1405-H1409 PolarHBondContact O-N 3.37Å; K1406-H1409 PolarHBondContact O-N 3.27Å; H1409-K1411 VanDerWaalsContact C-N 3.3Å; H1409-K1411 PolarHBondContact O-N 3.11Å; H1409-G1412 PolarHBondContact O-N 3.03Å; H1409-G1412 VanDerWaalsContact O-N 3.15Å; H1409-V1413 WeakPolarHBondContact O-CG2 3.37Å; H1409-V1413 PolarHBondContact O-N 3.03Å |
| 1410 | E | 91.2 | Very high | 88.3 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 179.9 | -72.8 | 178.5 | -174.3 | 0 | 0 | 111.9 | K1406 A1414 | K1406-E1410 WeakPolarHBondContact CE-OE1 3.42Å; K1406-E1410 HydrophobicContact CG-CG 4.5Å; K1406-E1410 WeakPolarHBondContact O-CG 3.24Å; K1406-E1410 PolarHBondContact O-N 3.21Å; E1410-A1414 VanDerWaalsContact O-CB 3.26Å; E1410-A1414 WeakPolarHBondContact O-CB 3.45Å; E1410-A1414 PolarHBondContact O-N 2.84Å |
| 1411 | K | 89.5 | Confident | 87.5 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 53% | 0.53 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 175.7 | -174.3 | -179.6 | 177.2 | -175.5 | 0 | 111.8 | E1407 H1409 A1414 D1415 | E1407-K1411 VanDerWaalsContact O-CB 3.23Å; E1407-K1411 WeakPolarHBondContact O-CB 3.35Å; E1407-K1411 PolarHBondContact O-N 3.45Å; H1409-K1411 VanDerWaalsContact C-N 3.3Å; H1409-K1411 PolarHBondContact O-N 3.11Å; K1411-A1414 PolarHBondContact O-N 3.25Å; K1411-D1415 WeakPolarHBondContact O-CB 3.44Å; K1411-D1415 PolarHBondContact O-N 3.12Å |
| 1412 | G | 87.8 | Confident | 86.5 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1408 H1409 A1414 D1415 E1416 | F1408-G1412 PolarHBondContact O-N 3.06Å; H1409-G1412 PolarHBondContact O-N 3.03Å; H1409-G1412 VanDerWaalsContact O-N 3.15Å; G1412-A1414 VanDerWaalsContact C-N 3.35Å; G1412-A1414 PolarHBondContact O-N 2.87Å; G1412-D1415 PolarHBondContact O-N 3.15Å; G1412-E1416 WeakPolarHBondContact O-CB 3.4Å; G1412-E1416 PolarHBondContact O-N 3.49Å |
| 1413 | V | 87.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | H1409 A1417 | H1409-V1413 WeakPolarHBondContact O-CG2 3.37Å; H1409-V1413 PolarHBondContact O-N 3.03Å; V1413-A1417 WeakPolarHBondContact O-CB 3.36Å; V1413-A1417 PolarHBondContact O-N 3.18Å |
| 1414 | A | 83.9 | Confident | 84.7 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1410 K1411 G1412 A1418 | E1410-A1414 VanDerWaalsContact O-CB 3.26Å; E1410-A1414 WeakPolarHBondContact O-CB 3.45Å; E1410-A1414 PolarHBondContact O-N 2.84Å; K1411-A1414 PolarHBondContact O-N 3.25Å; G1412-A1414 VanDerWaalsContact C-N 3.35Å; G1412-A1414 PolarHBondContact O-N 2.87Å; A1414-A1418 VanDerWaalsContact O-CB 3.29Å; A1414-A1418 WeakPolarHBondContact O-CB 3.49Å; A1414-A1418 PolarHBondContact O-N 3.02Å |
| 1415 | D | 84.1 | Confident | 83.5 | Confident | 91 Ų | 91 | 80.1 Ų | 80.1 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 176.4 | -76.3 | -18.4 | 0 | 0 | 0 | 110.9 | K1411 G1412 A1418 V1419 | K1411-D1415 WeakPolarHBondContact O-CB 3.44Å; K1411-D1415 PolarHBondContact O-N 3.12Å; G1412-D1415 PolarHBondContact O-N 3.15Å; D1415-A1418 CarbonylContact O-C 3.56Å; D1415-A1418 WeakPolarHBondContact O-CB 3.34Å; D1415-A1418 PolarHBondContact O-N 3.02Å; D1415-A1418 VanDerWaalsContact O-N 3.14Å; D1415-V1419 WeakPolarHBondContact O-CG2 3.31Å; D1415-V1419 PolarHBondContact O-N 3.1Å |
| 1416 | E | 82.1 | Confident | 82.2 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.8 | -160.5 | -166.4 | 158.1 | 0 | 0 | 111.5 | G1412 A1418 V1419 R1420 | G1412-E1416 WeakPolarHBondContact O-CB 3.4Å; G1412-E1416 PolarHBondContact O-N 3.49Å; E1416-A1418 VanDerWaalsContact C-N 3.29Å; E1416-A1418 PolarHBondContact O-N 3.4Å; E1416-V1419 PolarHBondContact O-N 3.32Å; E1416-R1420 PolarHBondContact O-N 3.43Å |
| 1417 | A | 81.7 | Confident | 81.2 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1413 R1421 | V1413-A1417 WeakPolarHBondContact O-CB 3.36Å; V1413-A1417 PolarHBondContact O-N 3.18Å; A1417-R1421 VanDerWaalsContact O-CB 3.27Å; A1417-R1421 WeakPolarHBondContact O-CB 3.47Å; A1417-R1421 WeakPolarHBondContact O-CG 3.48Å; A1417-R1421 PolarHBondContact O-N 3.2Å; A1417-R1421 PolarHBondContact O-NE 2.87Å; A1417-R1421 VanDerWaalsContact O-NE 3.13Å |
| 1418 | A | 78.9 | Confident | 80 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1414 D1415 E1416 R1421 A1422 | A1414-A1418 VanDerWaalsContact O-CB 3.29Å; A1414-A1418 WeakPolarHBondContact O-CB 3.49Å; A1414-A1418 PolarHBondContact O-N 3.02Å; D1415-A1418 CarbonylContact O-C 3.56Å; D1415-A1418 WeakPolarHBondContact O-CB 3.34Å; D1415-A1418 PolarHBondContact O-N 3.02Å; D1415-A1418 VanDerWaalsContact O-N 3.14Å; E1416-A1418 VanDerWaalsContact C-N 3.29Å; E1416-A1418 PolarHBondContact O-N 3.4Å; A1418-R1421 PolarHBondContact O-N 2.91Å; A1418-A1422 VanDerWaalsContact O-CB 3.23Å; A1418-A1422 WeakPolarHBondContact O-CB 3.09Å; A1418-A1422 PolarHBondContact O-N 3.35Å |
| 1419 | V | 80.8 | Confident | 78.3 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | D1415 E1416 R1421 A1422 E1423 | D1415-V1419 WeakPolarHBondContact O-CG2 3.31Å; D1415-V1419 PolarHBondContact O-N 3.1Å; E1416-V1419 PolarHBondContact O-N 3.32Å; V1419-R1421 PolarHBondContact O-N 3Å; V1419-A1422 CarbonylContact O-C 3.4Å; V1419-A1422 PolarHBondContact O-N 3.45Å; V1419-A1422 VanDerWaalsContact O-N 3.17Å; V1419-E1423 HydrophobicContact CG1-CG 4.47Å; V1419-E1423 WeakPolarHBondContact O-CB 3.4Å; V1419-E1423 WeakPolarHBondContact O-CG 3.39Å; V1419-E1423 PolarHBondContact O-N 2.91Å |
| 1420 | R | 78.2 | Confident | 76.6 | Confident | 163 Ų | 163 | 85.9 Ų | 85.9 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | 173.3 | -94.4 | -172.5 | -177.3 | 164.4 | 4.7 | 111.8 | E1416 A1422 E1423 I1424 | E1416-R1420 PolarHBondContact O-N 3.43Å; R1420-A1422 VanDerWaalsContact C-N 3.33Å; R1420-A1422 PolarHBondContact O-N 3.47Å; R1420-E1423 PolarHBondContact O-N 2.84Å; R1420-I1424 WeakPolarHBondContact O-CB 3.25Å; R1420-I1424 WeakPolarHBondContact O-CD1 3.26Å; R1420-I1424 WeakPolarHBondContact O-CG1 3.39Å; R1420-I1424 PolarHBondContact O-N 2.94Å |
| 1421 | R | 74.9 | Confident | 74.8 | Confident | 165 Ų | 165 | 86.9 Ų | 86.9 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 175.4 | -78.3 | -179 | -67.3 | 167.6 | -2.5 | 111.9 | A1417 A1418 V1419 A1425 | A1417-R1421 VanDerWaalsContact O-CB 3.27Å; A1417-R1421 WeakPolarHBondContact O-CB 3.47Å; A1417-R1421 WeakPolarHBondContact O-CG 3.48Å; A1417-R1421 PolarHBondContact O-N 3.2Å; A1417-R1421 PolarHBondContact O-NE 2.87Å; A1417-R1421 VanDerWaalsContact O-NE 3.13Å; A1418-R1421 PolarHBondContact O-N 2.91Å; V1419-R1421 PolarHBondContact O-N 3Å; R1421-A1425 PolarHBondContact O-N 3.27Å; R1421-A1425 WeakPolarHBondContact O-CB 3.45Å |
| 1422 | A | 71.7 | Confident | 73 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1418 V1419 R1420 A1425 A1426 | A1418-A1422 VanDerWaalsContact O-CB 3.23Å; A1418-A1422 WeakPolarHBondContact O-CB 3.09Å; A1418-A1422 PolarHBondContact O-N 3.35Å; V1419-A1422 CarbonylContact O-C 3.4Å; V1419-A1422 PolarHBondContact O-N 3.45Å; V1419-A1422 VanDerWaalsContact O-N 3.17Å; R1420-A1422 VanDerWaalsContact C-N 3.33Å; R1420-A1422 PolarHBondContact O-N 3.47Å; A1422-A1425 PolarHBondContact O-N 3.23Å; A1422-A1425 CarbonylContact O-C 3.6Å; A1422-A1426 WeakPolarHBondContact O-CB 3.44Å; A1422-A1426 PolarHBondContact O-N 3.01Å |
| 1423 | E | 75 | Confident | 71.2 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 173.4 | -79.2 | -160.5 | 167.7 | 0 | 0 | 111.8 | V1419 R1420 A1425 A1426 K1427 | V1419-E1423 HydrophobicContact CG1-CG 4.47Å; V1419-E1423 WeakPolarHBondContact O-CB 3.4Å; V1419-E1423 WeakPolarHBondContact O-CG 3.39Å; V1419-E1423 PolarHBondContact O-N 2.91Å; R1420-E1423 PolarHBondContact O-N 2.84Å; E1423-A1425 VanDerWaalsContact C-N 3.34Å; E1423-A1426 PolarHBondContact O-N 3.49Å; E1423-K1427 WeakPolarHBondContact O-CG 3.48Å; E1423-K1427 IonicContact OE2-NZ 2.74Å; E1423-K1427 PolarHBondContact O-N 3.2Å; E1423-K1427 VanDerWaalsContact O-CG 3.25Å; E1423-K1427 WeakPolarHBondContact O-CB 3.43Å; E1423-K1427 VanDerWaalsContact O-CB 3.27Å |
| 1424 | I | 73.4 | Confident | 69.3 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.4 | -67 | 163.8 | 0 | 0 | 0 | 109.4 | R1420 A1426 K1427 T1428 | R1420-I1424 WeakPolarHBondContact O-CB 3.25Å; R1420-I1424 WeakPolarHBondContact O-CD1 3.26Å; R1420-I1424 WeakPolarHBondContact O-CG1 3.39Å; R1420-I1424 PolarHBondContact O-N 2.94Å; I1424-A1426 VanDerWaalsContact C-N 3.34Å; I1424-A1426 PolarHBondContact O-N 2.66Å; I1424-K1427 PolarHBondContact O-N 3.08Å; I1424-T1428 PolarHBondContact O-N 3.35Å; I1424-T1428 PolarHBondContact O-OG1 3.27Å; I1424-T1428 WeakPolarHBondContact O-CG2 3.25Å; I1424-T1428 VanDerWaalsContact O-CB 3.32Å; I1424-T1428 HydrophobicContact CG2-CG2 4.36Å; I1424-T1428 WeakPolarHBondContact O-CB 3.25Å |
| 1425 | A | 68.3 | Low | 67.7 | Low | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1421 A1422 E1423 T1428 A1429 | R1421-A1425 PolarHBondContact O-N 3.27Å; R1421-A1425 WeakPolarHBondContact O-CB 3.45Å; A1422-A1425 PolarHBondContact O-N 3.23Å; A1422-A1425 CarbonylContact O-C 3.6Å; E1423-A1425 VanDerWaalsContact C-N 3.34Å; A1425-T1428 VanDerWaalsContact CA-OG1 3.24Å; A1425-T1428 WeakPolarHBondContact CA-OG1 3.39Å; A1425-T1428 PolarHBondContact O-OG1 3Å; A1425-T1428 VanDerWaalsContact O-OG1 3.1Å; A1425-A1429 WeakPolarHBondContact O-CA 3.17Å; A1425-A1429 WeakPolarHBondContact O-CB 3.4Å; A1425-A1429 PolarHBondContact O-N 3.11Å |
| 1426 | A | 67.4 | Low | 65.9 | Low | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1422 E1423 I1424 K1430 | A1422-A1426 WeakPolarHBondContact O-CB 3.44Å; A1422-A1426 PolarHBondContact O-N 3.01Å; E1423-A1426 PolarHBondContact O-N 3.49Å; I1424-A1426 VanDerWaalsContact C-N 3.34Å; I1424-A1426 PolarHBondContact O-N 2.66Å; A1426-K1430 VanDerWaalsContact O-CB 3.24Å; A1426-K1430 PolarHBondContact O-N 3.3Å; A1426-K1430 WeakPolarHBondContact O-CG 3.4Å; A1426-K1430 WeakPolarHBondContact O-CB 3.5Å |
| 1427 | K | 70.8 | Confident | 63.7 | Low | 128 Ų | 128 | 111.6 Ų | 111.6 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.4 | -46 | 173.1 | -76.2 | 170.9 | -178.3 | 164.3 | 0 | 110.3 | E1423 I1424 K1430 Q1431 | E1423-K1427 WeakPolarHBondContact O-CG 3.48Å; E1423-K1427 IonicContact OE2-NZ 2.74Å; E1423-K1427 PolarHBondContact O-N 3.2Å; E1423-K1427 VanDerWaalsContact O-CG 3.25Å; E1423-K1427 WeakPolarHBondContact O-CB 3.43Å; E1423-K1427 VanDerWaalsContact O-CB 3.27Å; I1424-K1427 PolarHBondContact O-N 3.08Å; K1427-K1430 PolarHBondContact O-N 3.06Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.38Å; K1427-Q1431 PolarHBondContact O-N 3.35Å |
| 1428 | T | 67.6 | Low | 61.6 | Low | 60 Ų | 60 | 114 Ų | 114 | 37% | 0.368 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.8 | -35.7 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | I1424 A1425 Q1431 R1432 | I1424-T1428 PolarHBondContact O-N 3.35Å; I1424-T1428 PolarHBondContact O-OG1 3.27Å; I1424-T1428 WeakPolarHBondContact O-CG2 3.25Å; I1424-T1428 VanDerWaalsContact O-CB 3.32Å; I1424-T1428 HydrophobicContact CG2-CG2 4.36Å; I1424-T1428 WeakPolarHBondContact O-CB 3.25Å; A1425-T1428 VanDerWaalsContact CA-OG1 3.24Å; A1425-T1428 WeakPolarHBondContact CA-OG1 3.39Å; A1425-T1428 PolarHBondContact O-OG1 3Å; A1425-T1428 VanDerWaalsContact O-OG1 3.1Å; T1428-Q1431 PolarHBondContact O-N 3.47Å; T1428-R1432 PolarHBondContact O-N 3.17Å; T1428-R1432 WeakPolarHBondContact O-CG 3.34Å; T1428-R1432 VanDerWaalsContact O-CB 3.31Å; T1428-R1432 WeakPolarHBondContact O-CB 3.39Å |
| 1429 | A | 56.5 | Low | 59.6 | Low | 55 Ų | 55 | 115 Ų | 115 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.8 | -36.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1425 R1432 S1433 | A1425-A1429 WeakPolarHBondContact O-CA 3.17Å; A1425-A1429 WeakPolarHBondContact O-CB 3.4Å; A1425-A1429 PolarHBondContact O-N 3.11Å; A1429-R1432 PolarHBondContact O-N 3.13Å; A1429-S1433 WeakPolarHBondContact O-CA 3.42Å; A1429-S1433 WeakPolarHBondContact O-CB 3.34Å; A1429-S1433 PolarHBondContact O-N 2.9Å |
| 1430 | K | 57.3 | Low | 57.5 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 70% | 0.7 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -37.3 | 170.4 | -83.9 | 178 | 176.9 | 173.6 | 0 | 111.7 | A1426 K1427 R1434 | A1426-K1430 VanDerWaalsContact O-CB 3.24Å; A1426-K1430 PolarHBondContact O-N 3.3Å; A1426-K1430 WeakPolarHBondContact O-CG 3.4Å; A1426-K1430 WeakPolarHBondContact O-CB 3.5Å; K1427-K1430 PolarHBondContact O-N 3.06Å; K1430-R1434 WeakPolarHBondContact O-CB 3.4Å; K1430-R1434 PolarHBondContact O-N 2.6Å; K1430-R1434 VanDerWaalsContact O-N 3.12Å |
| 1431 | Q | 54.5 | Low | 55.2 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69 | -45.8 | 172.5 | -78 | 177.6 | -22.2 | 0 | 0 | 112.1 | K1427 T1428 R1434 N1435 | K1427-Q1431 WeakPolarHBondContact O-CG 3.38Å; K1427-Q1431 PolarHBondContact O-N 3.35Å; T1428-Q1431 PolarHBondContact O-N 3.47Å; Q1431-R1434 WeakPolarHBondContact O-CB 3.41Å; Q1431-R1434 PolarHBondContact O-N 3.45Å; Q1431-N1435 PolarHBondContact O-N 2.84Å |
| 1432 | R | 51.4 | Low | 53.2 | Low | 191 Ų | 191 | 113.3 Ų | 113.3 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.1 | -35.8 | 176.4 | -80.2 | -177.1 | 168.1 | 179.7 | -2.5 | 112.9 | T1428 A1429 R1434 N1435 N1436 | T1428-R1432 PolarHBondContact O-N 3.17Å; T1428-R1432 WeakPolarHBondContact O-CG 3.34Å; T1428-R1432 VanDerWaalsContact O-CB 3.31Å; T1428-R1432 WeakPolarHBondContact O-CB 3.39Å; A1429-R1432 PolarHBondContact O-N 3.13Å; R1432-R1434 VanDerWaalsContact C-N 3.34Å; R1432-N1435 CarbonylContact O-C 3.48Å; R1432-N1435 PolarHBondContact O-N 2.87Å; R1432-N1436 WeakPolarHBondContact O-CB 3.33Å; R1432-N1436 PolarHBondContact O-N 3.01Å |
| 1433 | S | 48.6 | Very low | 51.3 | Low | 73 Ų | 73 | 117.3 Ų | 117.3 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.7 | -36.1 | 173 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A1429 R1437 | A1429-S1433 WeakPolarHBondContact O-CA 3.42Å; A1429-S1433 WeakPolarHBondContact O-CB 3.34Å; A1429-S1433 PolarHBondContact O-N 2.9Å; S1433-R1437 PolarHBondContact O-N 3.23Å; S1433-R1437 VanDerWaalsContact O-N 3.11Å |
| 1434 | R | 49.3 | Very low | 49.1 | Very low | 214 Ų | 214 | 117.9 Ų | 117.9 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.2 | -37 | 169.3 | -93.3 | 180 | 162.8 | 162.7 | -5.3 | 112.8 | K1430 Q1431 R1432 | K1430-R1434 WeakPolarHBondContact O-CB 3.4Å; K1430-R1434 PolarHBondContact O-N 2.6Å; K1430-R1434 VanDerWaalsContact O-N 3.12Å; Q1431-R1434 WeakPolarHBondContact O-CB 3.41Å; Q1431-R1434 PolarHBondContact O-N 3.45Å; R1432-R1434 VanDerWaalsContact C-N 3.34Å |
| 1435 | N | 49.4 | Very low | 47 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.9 | -36.5 | 176.2 | -90 | 25.7 | 0 | 0 | 0 | 114.1 | Q1431 R1432 A1438 | Q1431-N1435 PolarHBondContact O-N 2.84Å; R1432-N1435 CarbonylContact O-C 3.48Å; R1432-N1435 PolarHBondContact O-N 2.87Å; N1435-A1438 PolarHBondContact O-N 3.44Å; N1435-A1438 WeakPolarHBondContact O-CB 3.32Å |
| 1436 | N | 45.3 | Very low | 45.2 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.2 | -16.3 | -177.7 | -81.1 | 10.9 | 0 | 0 | 0 | 113.5 | R1432 A1438 S1439 | R1432-N1436 WeakPolarHBondContact O-CB 3.33Å; R1432-N1436 PolarHBondContact O-N 3.01Å; N1436-A1438 PolarHBondContact O-N 3.13Å; N1436-S1439 CarbonylContact O-C 3.48Å; N1436-S1439 PolarHBondContact O-N 3.49Å; N1436-S1439 VanDerWaalsContact O-O 3.12Å |
| 1437 | R | 36.5 | Very low | 43.4 | Very low | 235 Ų | 235 | 125.1 Ų | 125.1 | 89% | 0.887 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -15.3 | 162.5 | -107 | -177.4 | 177.9 | 176.4 | 0 | 112.7 | S1433 | S1433-R1437 PolarHBondContact O-N 3.23Å; S1433-R1437 VanDerWaalsContact O-N 3.11Å |
| 1438 | A | 37.6 | Very low | 41.3 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1435 N1436 | N1435-A1438 PolarHBondContact O-N 3.44Å; N1435-A1438 WeakPolarHBondContact O-CB 3.32Å; N1436-A1438 PolarHBondContact O-N 3.13Å |
| 1439 | S | 37 | Very low | 39.6 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 42% | 0.42 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -151.8 | 117.9 | 180 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | N1436 | N1436-S1439 CarbonylContact O-C 3.48Å; N1436-S1439 PolarHBondContact O-N 3.49Å; N1436-S1439 VanDerWaalsContact O-O 3.12Å |
| 1440 | H | 37.4 | Very low | 38.2 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | 93.7 | 82.7 | 153.7 | -67.6 | 39.9 | 0 | 0 | 0 | 118 | ||||
| 1441 | S | 28.5 | Very low | 36.9 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -55.1 | 156.7 | 134.8 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1442 | S | 33.6 | Very low | 35.6 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 78.8 | 131 | 179.9 | 82.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1443 | N | 31.5 | Very low | 34.4 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | cis | -160.5 | 129.2 | 19.7 | -108.2 | -14.1 | 0 | 0 | 0 | 106.2 | ||||
| 1444 | V | 29.5 | Very low | 33.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | 82.9 | 108.5 | 97.3 | 170.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1445 | T | 29.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 67.7 | 136.2 | 142.6 | 59.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1446 | G | 29.8 | Very low | 31.3 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 141 | 76.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1447 | N | 28.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 62 | 118.9 | 130.9 | -151.3 | 30.4 | 0 | 0 | 0 | 122 | ||||
| 1448 | N | 27.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | 11.1 | 125.3 | 140.2 | -65.7 | -35.7 | 0 | 0 | 0 | 119.4 | ||||
| 1449 | N | 31.9 | Very low | 29.3 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | -178.6 | 146.3 | 94.8 | -103.5 | -27.7 | 0 | 0 | 0 | 113.7 | |||||
| 1450 | K | 26.4 | Very low | 28.7 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -62.4 | 131.6 | 173.8 | -69 | 168.1 | 172 | 174.2 | 0 | 111.9 | ||||
| 1451 | V | 29.7 | Very low | 28.2 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -142.5 | 113.9 | 144.8 | -180 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1452 | T | 27.9 | Very low | 28 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -76 | 127.7 | 163.2 | 26.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1453 | R | 26.2 | Very low | 27.7 | Very low | 243 Ų | 243 | 157.9 Ų | 157.9 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -141.6 | 136.1 | 161.5 | -98.7 | -174.9 | 178.8 | 168.7 | -0.4 | 112 | ||||
| 1454 | K | 26 | Very low | 27.4 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | trans | -77.8 | 151.4 | -172.2 | -72.8 | 171.2 | 167.3 | 175.3 | 0 | 113.2 | ||||
| 1455 | N | 25.6 | Very low | 27.5 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | 46 | 113.3 | 138.7 | -60 | -2.9 | 0 | 0 | 0 | 119.8 | ||||
| 1456 | L | 31.2 | Very low | 27.3 | Very low | 169 Ų | 169 | 157.4 Ų | 157.4 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -132.8 | 132.6 | 145.7 | -101.1 | 100.5 | 0 | 0 | 0 | 110.9 | ||||
| 1457 | R | 23.7 | Very low | 27.4 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | trans | -107.8 | 126.4 | 178.8 | -154.7 | -177.2 | -168.5 | -176 | 2.5 | 106.4 | ||||
| 1458 | R | 28.2 | Very low | 27.2 | Very low | 221 Ų | 221 | 163.1 Ų | 163.1 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -158.2 | 102.6 | 166.9 | -102.9 | -177.4 | 177 | 163.6 | -0.7 | 107.9 | ||||
| 1459 | T | 25.3 | Very low | 27 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 68% | 0.681 | 83% | 0.825 | S | S | * | * | 61 | 95 | 96 | 61.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 1460 | T | 23.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 161 Ų | 161 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | 25.9 | 116.3 | 128.8 | 56.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1461 | T | 27.5 | Very low | 26.9 | Very low | 142 Ų | 142 | 161 Ų | 161 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | trans | -146.1 | 119 | 145.8 | 13.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1462 | S | 23.8 | Very low | 27 | Very low | 113 Ų | 113 | 162.2 Ų | 162.2 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -63.8 | 130.3 | 168.2 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1463 | R | 28.4 | Very low | 26.8 | Very low | 243 Ų | 243 | 164.2 Ų | 164.2 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -136.8 | 103.8 | 152.7 | -91.8 | 178.3 | 91.1 | 130.5 | -2.6 | 108.1 | ||||
| 1464 | T | 25.5 | Very low | 27 | Very low | 138 Ų | 138 | 159.8 Ų | 159.8 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -64.7 | 122.9 | 158.2 | 34.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1465 | A | 31.4 | Very low | 27.2 | Very low | 93 Ų | 93 | 157.7 Ų | 157.7 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -123.8 | 106.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1466 | I | 25.7 | Very low | 27.3 | Very low | 149 Ų | 149 | 158 Ų | 158 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -77.9 | 119.9 | 167.9 | -64.8 | 164.1 | 0 | 0 | 0 | 105.1 | E1468 | I1466-E1468 HydrophobicContact CG2-CG 4.31Š| ||
| 1467 | L | 31.1 | Very low | 27.2 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -123.5 | 114.9 | 161.7 | -74.9 | 172.1 | 0 | 0 | 0 | 106.5 | ||||
| 1468 | E | 24.9 | Very low | 27.4 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 156.1 | 171.5 | -71.8 | 173 | 149.5 | 0 | 0 | 110.3 | I1466 | I1466-E1468 HydrophobicContact CG2-CG 4.31Š| ||
| 1469 | S | 24 | Very low | 27.4 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | 61 | 121.4 | 156.8 | 76.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1470 | D | 29.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | -170.3 | 132.2 | 98.5 | -79 | -22.2 | 0 | 0 | 0 | 109.2 | |||||
| 1471 | E | 25.7 | Very low | 27.6 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 121.8 | 170.4 | -67.4 | 170.5 | 160.6 | 0 | 0 | 107.6 | ||||
| 1472 | D | 31.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -131.6 | 103 | 164 | -77.5 | -44.4 | 0 | 0 | 0 | 107.7 | ||||
| 1473 | E | 24.7 | Very low | 27.7 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -67.5 | 130.2 | 154.7 | -68.5 | 177.3 | 149.9 | 0 | 0 | 107.7 | ||||
| 1474 | D | 29 | Very low | 27.7 | Very low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | 175.6 | 141.8 | 133.5 | -91.6 | -26.7 | 0 | 0 | 0 | 113.5 | ||||
| 1475 | D | 31.5 | Very low | 27.6 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | 83.2 | 103.7 | 148.2 | -65.1 | -27.4 | 0 | 0 | 0 | 122.9 | ||||
| 1476 | N | 26.2 | Very low | 27.2 | Very low | 157 Ų | 157 | 157.9 Ų | 157.9 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -42.3 | 121 | 151.4 | -68.9 | -59.1 | 0 | 0 | 0 | 113.8 | ||||
| 1477 | E | 30.2 | Very low | 27.3 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -127.9 | 103.4 | 159.3 | -130.1 | -174.8 | -173.8 | 0 | 0 | 111.1 | G1479 | E1477-G1479 PolarHBondContact O-N 3.28Å; E1477-G1479 VanDerWaalsContact O-N 3.08Å | ||
| 1478 | I | 26.7 | Very low | 27 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -74.1 | 92.9 | 175.8 | -63.3 | 170.7 | 0 | 0 | 0 | 108.5 | ||||
| 1479 | G | 29.3 | Very low | 27.2 | Very low | 70 Ų | 70 | 158 Ų | 158 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -83.5 | 115.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1477 | E1477-G1479 PolarHBondContact O-N 3.28Å; E1477-G1479 VanDerWaalsContact O-N 3.08Å | ||
| 1480 | K | 25.8 | Very low | 27.2 | Very low | 201 Ų | 201 | 164.4 Ų | 164.4 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 133.9 | 178.2 | -76 | 171.8 | 174.6 | 170.5 | 0 | 114.6 | ||
| 1481 | I | 26.2 | Very low | 26.9 | Very low | 166 Ų | 166 | 164 Ų | 164 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 122.3 | 174.4 | -59.7 | 162.3 | 0 | 0 | 0 | 110.8 | ||
| 1482 | P | 29.1 | Very low | 27 | Very low | 108 Ų | 108 | 161.5 Ų | 161.5 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 128.9 | 177 | -4.3 | 22 | 0 | 0 | 0 | 111.8 | V1484 | P1482-V1484 PolarHBondContact O-N 3.23Š|
| 1483 | T | 24.1 | Very low | 26.7 | Very low | 146 Ų | 146 | 165.7 Ų | 165.7 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | trans | -64.7 | 109.6 | 172.6 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | R1485 | T1483-R1485 PolarHBondContact O-N 3.2Š| ||
| 1484 | V | 28 | Very low | 26.8 | Very low | 139 Ų | 139 | 161.7 Ų | 161.7 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | trans | -83.9 | 111 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | P1482 | P1482-V1484 PolarHBondContact O-N 3.23Š| ||
| 1485 | R | 24 | Very low | 26.8 | Very low | 234 Ų | 234 | 166.5 Ų | 166.5 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -70.7 | 128.7 | 178.1 | -137.8 | 171.8 | -177.3 | 167.4 | 0.2 | 111 | T1483 K1487 | T1483-R1485 PolarHBondContact O-N 3.2Å; R1485-K1487 PolarHBondContact O-N 3.38Å | ||
| 1486 | E | 23.8 | Very low | 26.5 | Very low | 183 Ų | 183 | 164.4 Ų | 164.4 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | -46.2 | 122.7 | 176.6 | -63 | 173.3 | 157 | 0 | 0 | 112.9 | ||||
| 1487 | K | 28.1 | Very low | 26.6 | Very low | 193 Ų | 193 | 168.5 Ų | 168.5 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -108.3 | 104.3 | 167.4 | -83.9 | -175.9 | 179.1 | 172.5 | 0 | 109.8 | R1485 T1489 | R1485-K1487 PolarHBondContact O-N 3.38Å; K1487-T1489 PolarHBondContact O-N 3.49Å; K1487-T1489 VanDerWaalsContact O-N 3.07Å | ||
| 1488 | N | 24.3 | Very low | 26.4 | Very low | 160 Ų | 160 | 165.4 Ų | 165.4 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | trans | -54.4 | 101.7 | 165.5 | -74.6 | -32.2 | 0 | 0 | 0 | 111.4 | ||||
| 1489 | T | 28.2 | Very low | 26.3 | Very low | 136 Ų | 136 | 169 Ų | 169 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | trans | -105.9 | 108.4 | 164.7 | 40.5 | 0 | 0 | 0 | 0 | 110.9 | K1487 | K1487-T1489 PolarHBondContact O-N 3.49Å; K1487-T1489 VanDerWaalsContact O-N 3.07Å | ||
| 1490 | R | 24.5 | Very low | 26.1 | Very low | 235 Ų | 235 | 172.4 Ų | 172.4 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | -39 | 131.4 | 171.2 | -121.9 | 165.9 | 168.1 | 169.6 | -4.6 | 114.1 | T1492 | R1490-T1492 PolarHBondContact O-N 2.92Š| ||
| 1491 | T | 23.4 | Very low | 26.2 | Very low | 134 Ų | 134 | 167 Ų | 167 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -39.1 | 117.8 | 163.1 | 40.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1492 | T | 28 | Very low | 26.1 | Very low | 142 Ų | 142 | 168.6 Ų | 168.6 | 87% | 0.871 | 84% | 0.843 | S | S | * | * | trans | -108.1 | 117 | 155.9 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | R1490 | R1490-T1492 PolarHBondContact O-N 2.92Š| ||
| 1493 | R | 26.2 | Very low | 26.1 | Very low | 244 Ų | 244 | 168.3 Ų | 168.3 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -61.8 | 143.8 | -179.7 | -76.8 | 171.2 | 164.5 | 167.3 | -6.2 | 113.2 | ||||
| 1494 | A | 26 | Very low | 26.3 | Very low | 97 Ų | 97 | 166.6 Ų | 166.6 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | 54.5 | 98.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1495 | R | 28.3 | Very low | 26.5 | Very low | 249 Ų | 249 | 166.4 Ų | 166.4 | 94% | 0.94 | 83% | 0.832 | S | S | * | * | trans | -130 | 130.2 | 138.7 | -94.8 | -178 | 174.6 | 169.3 | -2.3 | 109.3 | R1497 | R1495-R1497 PolarHBondContact O-N 3.04Š| ||
| 1496 | A | 26.4 | Very low | 26.9 | Very low | 99 Ų | 99 | 162.9 Ų | 162.9 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -54 | 123.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | T1498 | A1496-T1498 PolarHBondContact O-N 3.27Š| ||
| 1497 | R | 27.1 | Very low | 27.5 | Very low | 242 Ų | 242 | 163.4 Ų | 163.4 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | trans | -80.9 | 105.6 | 165.4 | -82.5 | 178.7 | 169.9 | 171.7 | -4.4 | 107.7 | R1495 R1499 | R1495-R1497 PolarHBondContact O-N 3.04Å; R1497-R1499 PolarHBondContact O-N 3.32Å; R1497-R1499 VanDerWaalsContact O-N 3.15Å | ||
| 1498 | T | 26 | Very low | 27.7 | Very low | 129 Ų | 129 | 162.1 Ų | 162.1 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | trans | -68.2 | 106.7 | 164.5 | -20.9 | 0 | 0 | 0 | 0 | 107.2 | A1496 I1500 | A1496-T1498 PolarHBondContact O-N 3.27Å; T1498-I1500 PolarHBondContact O-N 3.32Å | ||
| 1499 | R | 24.6 | Very low | 27.9 | Very low | 243 Ų | 243 | 162.5 Ų | 162.5 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | -64.2 | 105.6 | 169.4 | -118.6 | 177.3 | -179.4 | 171.2 | -1.3 | 107 | R1497 | R1497-R1499 PolarHBondContact O-N 3.32Å; R1497-R1499 VanDerWaalsContact O-N 3.15Å | ||
| 1500 | I | 26.4 | Very low | 28 | Very low | 140 Ų | 140 | 169.1 Ų | 169.1 | 72% | 0.718 | 86% | 0.859 | S | S | * | * | trans | -94.8 | 97.1 | 160.8 | -62.7 | 173.2 | 0 | 0 | 0 | 104.6 | T1498 F1502 | T1498-I1500 PolarHBondContact O-N 3.32Å; I1500-F1502 HydrophobicContact CG2-CE2 4.5Å | ||
| 1501 | A | 26.7 | Very low | 28.2 | Very low | 89 Ų | 89 | 165.8 Ų | 165.8 | 74% | 0.736 | 86% | 0.858 | S | S | * | * | trans | -75.5 | 120.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | S1503 | A1501-S1503 PolarHBondContact O-N 3.49Š| ||
| 1502 | F | 25.9 | Very low | 28.4 | Very low | 198 Ų | 198 | 167.5 Ų | 167.5 | 87% | 0.868 | 86% | 0.86 | S | S | * | * | trans | -75.2 | 107 | 166.5 | -84.9 | -91.9 | 0 | 0 | 0 | 107.3 | I1500 | I1500-F1502 HydrophobicContact CG2-CE2 4.5Š| ||
| 1503 | S | 28.6 | Very low | 28.5 | Very low | 102 Ų | 102 | 168.9 Ų | 168.9 | 71% | 0.713 | 86% | 0.859 | S | S | * | * | trans | -77.7 | 117.4 | 164.9 | -164.4 | 0 | 0 | 0 | 0 | 106.8 | A1501 | A1501-S1503 PolarHBondContact O-N 3.49Š| ||
| 1504 | S | 28.6 | Very low | 28.6 | Very low | 111 Ų | 111 | 164.5 Ų | 164.5 | 78% | 0.776 | 86% | 0.855 | S | S | * | * | trans | -102.6 | 70.5 | 173 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1505 | D | 30.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 168.7 Ų | 168.7 | 72% | 0.717 | 86% | 0.859 | S | S | * | * | trans | -139.3 | 109.6 | 168.7 | -78.4 | -32.3 | 0 | 0 | 0 | 104.8 | ||||
| 1506 | D | 33.6 | Very low | 28.8 | Very low | 161 Ų | 161 | 163.3 Ų | 163.3 | 86% | 0.861 | 85% | 0.853 | S | S | * | * | trans | 154 | 97.9 | 158.1 | -79.6 | -22.1 | 0 | 0 | 0 | 108.1 | ||||
| 1507 | E | 35.9 | Very low | 29 | Very low | 194 Ų | 194 | 167.9 Ų | 167.9 | 91% | 0.907 | 86% | 0.856 | S | S | * | * | trans | 166.8 | 64.2 | 145.7 | -91.3 | 176 | -162.7 | 0 | 0 | 110.3 | ||||
| 1508 | D | 32.5 | Very low | 29.1 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 88% | 0.882 | 85% | 0.852 | S | S | * | * | trans | -124.2 | 83.9 | 158.7 | -82.2 | -31.6 | 0 | 0 | 0 | 107.5 | ||||
| 1509 | N | 28.5 | Very low | 29.4 | Very low | 169 Ų | 169 | 165 Ų | 165 | 90% | 0.904 | 86% | 0.857 | S | S | * | * | trans | -147.1 | 73.4 | 165.9 | -97.7 | -29.6 | 0 | 0 | 0 | 107.8 | ||||
| 1510 | E | 30.7 | Very low | 29.8 | Very low | 274 Ų | 274 | 157.9 Ų | 157.9 | 100% | 1.28 | 85% | 0.851 | S | S | * | * | trans | -165.5 | 0 | 143.8 | -111 | 179.5 | -169.1 | 0 | 0 | 111.4 |
Retrieved 1,510 of 1,510 residues in 2890.1 ms
(Link to these results)